Part Number: Aspen Plus® 11.

1
September 2001
Copyright (c) 1981-2001 by Aspen Technology, Inc. All rights reserved.

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This manual is intended as a guide to using AspenTech’s software. This documentation contains AspenTech
proprietary and confidential information and may not be disclosed, used, or copied without the prior consent of
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software and the application of the results obtained.

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Corporate
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USA
Phone: (1) (617) 949-1021
Toll Free: (1) (888) 996-7001
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Division
Design, Simulation and Optimization Systems
Aspen Technology, Inc.
Ten Canal Park
Cambridge, MA 02141-2201
USA
Phone: (617) 949-1000
Fax: (617) 949-1030
Contents

The User Interface 1-1

Overview ..........................................................................................................................1-1
Connecting to the Aspen Plus Host Computer .................................................................1-1
The Aspen Plus Main Window.........................................................................................1-3
Aspen Plus Toolbars.............................................................................................1-4
The Process Flowsheet Window.......................................................................................1-5
The Model Library............................................................................................................1-5
Selecting a Unit Operation Model from the Model Library.................................1-5
Selecting the Stream Type from the Model Library.............................................1-6
The Data Browser.............................................................................................................1-7
The Parts of the Data Browser..............................................................................1-8
Displaying Forms and Sheets in the Data Browser ..............................................1-8
Status Indicators ...................................................................................................1-9
Using Next..........................................................................................................1-10
Using the Previous and Next Sheet Buttons.......................................................1-11
Using the Go Back and Go Forward Buttons .....................................................1-11
Using the Object Manager..............................................................................................1-12
Deleting Objects and Clearing Forms ................................................................1-13
Using the Expert System When You Make Changes .....................................................1-13
Using Shortcut Keys.......................................................................................................1-14
General Shortcut Keys........................................................................................1-14
Shortcut Keys for Working with Blocks and Streams........................................1-14
Shortcut Keys for Editing ...................................................................................1-15
Shortcut Keys for Working with Files................................................................1-15
Shortcut Keys for Working with Flowsheets .....................................................1-15
Shortcut Keys for Help .......................................................................................1-15
Shortcut Keys for Plotting ..................................................................................1-16
Shortcut Keys for Working with Regions ..........................................................1-16
Shortcut Keys for Running Simulations.............................................................1-16
Shortcut Keys for Viewing .................................................................................1-17
Supplying Comments .....................................................................................................1-17

Creating a Simulation Model 2-1

Overview ..........................................................................................................................2-1

Aspen Plus 11.1 User Guide Contents • iii

 Process Simulation Using Aspen Plus..............................................................................2-1
Creating a New Run .........................................................................................................2-2
Starting Aspen Plus and Creating a New Run......................................................2-2
Creating a New Run in Aspen Plus ......................................................................2-3
Selecting a Template ........................................................................................................2-3
About the Built-In Templates ...............................................................................2-3
Selecting a Run Type........................................................................................................2-4
Completing Input Specifications for a Run ......................................................................2-6
Completion Status for the Flowsheet....................................................................2-7
Completion Status on Forms ................................................................................2-7
About the Templates.........................................................................................................2-9
About the General Template.................................................................................2-9
About the Petroleum Template...........................................................................2-10
About the Gas Processing Template...................................................................2-13
About the Air Separation Template....................................................................2-14
About the Chemicals Template ..........................................................................2-15
About the Electrolytes Template ........................................................................2-16
About the Specialty Chemicals Template ..........................................................2-17
About the Pharmaceuticals Template .................................................................2-18
About the Hydrometallurgy Template................................................................2-19
About the Pyrometallurgy Template ..................................................................2-20
About the Solids Template .................................................................................2-20
Using the Online Applications Library ..........................................................................2-22
Accessing the Online Applications Library........................................................2-22
Creating an Equation Oriented Problem.........................................................................2-23

Using Aspen Plus Help 3-1

Overview ..........................................................................................................................3-1
Getting Help .....................................................................................................................3-1
Using the Back Button..........................................................................................3-2
Searching for Help on a Topic..........................................................................................3-2
Displaying Help on Dialog Boxes, Forms and Sheets......................................................3-2
Displaying Help on Screen Elements ...............................................................................3-2
Getting Step by Step Help ................................................................................................3-3
Getting Reference Information.........................................................................................3-3
Getting Printed Information..............................................................................................3-3
Printing Help.........................................................................................................3-3
Getting Printed Documentation ............................................................................3-3
Linking to Aspen Tech Home Page..................................................................................3-4
Contacting Aspen Plus Technical Support .......................................................................3-4
Improving Help.................................................................................................................3-6

Defining the Flowsheet 4-1

Overview ..........................................................................................................................4-1
Creating a Process Flowsheet ...........................................................................................4-1
Mouse Pointer Shapes ..........................................................................................4-2

iv • Contents Aspen Plus 11.1 User Guide

 Placing Blocks ......................................................................................................4-2
Placing Streams and Connecting Blocks ..............................................................4-4
Using Heat and Work Streams .........................................................................................4-7
Using PseudoProduct Streams..........................................................................................4-7
Viewing The Flowsheet....................................................................................................4-7
Adjusting the Zoom Level....................................................................................4-8
Using the Scrollbars..............................................................................................4-8
Using the Process Flowsheet Toolbar ..................................................................4-9
Using the Data Browser to Find Blocks in a Large Flowsheet ............................4-9
Using Bookmarks ...............................................................................................4-10
Using Pan............................................................................................................4-10
Checking Flowsheet Completeness ................................................................................4-10
Modifying the Flowsheet................................................................................................4-11
Changing Flowsheet Connectivity......................................................................4-11
Improving the Appearance of the Flowsheet......................................................4-13
About Flowsheet Sections ..............................................................................................4-20
Creating a Flowsheet Section .............................................................................4-20
Specifying the Current Section...........................................................................4-21
Using the Section Toolbar ..................................................................................4-21
Moving Blocks to a New Section .......................................................................4-21
Specifying the Stream Class for a Section..........................................................4-21
Viewing the Current Section ..............................................................................4-22
Printing a Flowsheet ...........................................................................................4-22

Global Information for Calculations 5-1

Overview ..........................................................................................................................5-1
About Global Information ................................................................................................5-1
Entering Global Specifications.........................................................................................5-2
Global Sheet .........................................................................................................5-2
Description Sheet..................................................................................................5-5
Accounting Sheet..................................................................................................5-6
Diagnostic Sheet ...................................................................................................5-6
Setup Simulation Options.................................................................................................5-7
Calculations Sheet ................................................................................................5-7
Flash Convergence Sheet....................................................................................5-12
System Sheet.......................................................................................................5-13
Limits Sheet........................................................................................................5-13
Units of Measure ............................................................................................................5-13
Selecting Units of Measure.................................................................................5-14
Report Options................................................................................................................5-17
Customizing the Stream Report..........................................................................5-19

Specifying Components 6-1

Overview ..........................................................................................................................6-1
Forms for Specifying Component Information ................................................................6-2
About Databanks ..............................................................................................................6-2

Aspen Plus 11.1 User Guide Contents • v

 Contents and Use of the Aspen Plus Databanks...................................................6-3
Specifying Components from a Databank........................................................................6-4
Specifying Non-Databank Components ...........................................................................6-7
Using the User-Defined Component Wizard........................................................6-8
Adding a Component......................................................................................................6-15
Inserting a Component........................................................................................6-15
Renaming a Component .................................................................................................6-16
Deleting a Component ....................................................................................................6-16
Reordering the Component List .....................................................................................6-16
Generating Electrolyte Components and Reactions .......................................................6-17
Generating the List of Components....................................................................6-17
Identifying Solid Components........................................................................................6-20
Conventional Solids............................................................................................6-20
Nonconventional Solids......................................................................................6-20
About Component Attributes .........................................................................................6-21
Assigning Attributes to Conventional Components ...........................................6-21
Assigning Attributes to Nonconventional Components .....................................6-22
Specifying Supercritical (HENRY) Components...........................................................6-22
Defining a Set of Henry’s Components ..............................................................6-23
Specifying UNIFAC Groups ..........................................................................................6-24
Defining Component Groups..........................................................................................6-25
Defining a Component Group ............................................................................6-25
Component Groups and Tear Stream Convergence ...........................................6-26

Physical Property Methods 7-1

Overview ..........................................................................................................................7-1
What Is a Property Method?.............................................................................................7-1
Creating New Property Methods ......................................................................................7-2
Available Property Methods.............................................................................................7-2
Ideal Property Methods ........................................................................................7-2
Equation of State Property Methods.....................................................................7-3
Activity Coefficient Property Methods ................................................................7-3
Property Methods for Special Systems.................................................................7-5
Choosing a Property Method............................................................................................7-5
Recommended Property Methods for Different Applications..............................7-5
Guidelines for Choosing a Property Method......................................................7-10
Specifying the Global Property Method.............................................................7-11
Specifying a Property Method for a Flowsheet Section .....................................7-12
Specifying a Local Property Method..................................................................7-12
Defining Supercritical Components ...............................................................................7-13
Using Free Water Calculations.......................................................................................7-14
Specifying Properties for the Free-Water Phase.................................................7-15
Special Method for K-Value of Water in the Organic Phase .............................7-15
Specifying Electrolyte Calculations ...............................................................................7-16
Modifying Property Methods .........................................................................................7-17
Modifying a Built-in Property Method...............................................................7-17

vi • Contents Aspen Plus 11.1 User Guide

 Making Advanced Modifications to a Property Method ....................................7-18
Property Methods for Nonconventional Components ....................................................7-19
Nonconventional Property Models.....................................................................7-19
Specifying the Models for Nonconventional Components.................................7-20

Physical Property Parameters and Data 8-1

Overview ..........................................................................................................................8-1
About Parameters and Data ..............................................................................................8-1
Determining Property Parameter Requirements...............................................................8-2
Parameter Requirements for Mass and Energy Balance Simulations ..................8-2
Parameter Requirements for Henry’s Law............................................................8-3
Parameter Requirements for Thermodynamic Reference State ...........................8-3
Retrieving Parameters from Databanks............................................................................8-4
Retrieving Pure Component Parameters...............................................................8-4
Retrieving Equation-of-State Binary Parameters .................................................8-5
Retrieving Activity Coefficient Binary Parameters..............................................8-6
Retrieving Henry’s Law Constants .......................................................................8-7
Retrieving Electrolyte Binary and Pair Parameters..............................................8-7
Entering Property Parameters...........................................................................................8-7
Forms for Entering Property Parameters ..............................................................8-8
How to Enter Property Parameters .......................................................................8-8
Entering Pure Component Constants....................................................................8-9
Entering Pure Component Correlation Parameters ............................................8-10
Entering Parameters for Nonconventional Components ....................................8-11
Entering Scalar Binary Parameters.....................................................................8-12
Entering Temperature-Dependent Binary Parameters........................................8-13
Entering Binary Parameters from DECHEMA ..................................................8-14
Estimating Binary Parameters for Activity Coefficient Models ........................8-16
Entering Electrolyte Pair Parameters..................................................................8-16
Entering Ternary Parameters ..............................................................................8-17
Using Tabular Data and Polynomial Coefficients..........................................................8-20
Tabpoly Properties..............................................................................................8-20
How Aspen Plus Uses Your Tabular Data and Polynomial Coefficients...........8-21
Entering Tabular Data ........................................................................................8-22
Entering Polynomial Coefficients for the General Polynomial Model ..............8-24
Adjusting Reference States for Tabular Data and Polynomials .........................8-24
Adjusting Tabular Data or Polynomials for the Effect of Pressure....................8-26
Using Property Data Packages .......................................................................................8-27
Using a Data Package .........................................................................................8-27
Ammonia-Water Data Package ..........................................................................8-27
Ethylene Data Package .......................................................................................8-27
Using Electrolyte Amines Data Packages ..........................................................8-28
Flue Gas Treatment Data Package......................................................................8-29
Formaldehyde-Methanol-Water Data Package ..................................................8-29
Glycol Dehydration Data Package .....................................................................8-30
Pitzer Data Packages ..........................................................................................8-30

Aspen Plus 11.1 User Guide Contents • vii

 Methyl-amine Data Package...............................................................................8-31
Using Other Electrolyte Data Packages..............................................................8-31

Specifying Streams 9-1

Overview ..........................................................................................................................9-1
Specifying Material Streams ............................................................................................9-2
Entering Specifications for Streams .....................................................................9-2
Possible Stream Thermodynamic Condition Specifications ................................9-3
Mass-Balance-Only Calculations .....................................................................................9-3
Entering Stream Composition ..........................................................................................9-4
Using Standard Liquid Volume............................................................................9-4
Specifying Particle Size Distribution ...............................................................................9-6
Specifying Component Attribute Values..........................................................................9-6
About Stream Property Analysis ......................................................................................9-8
Stream Analysis Types .........................................................................................9-8
Analyzing Stream Properties ............................................................................................9-9
Generating PT-Envelopes...............................................................................................9-12
Creating a PT-Envelope from a Stream..............................................................9-12
About Stream Classes.....................................................................................................9-15
Using Stream Classes .....................................................................................................9-15
Using Predefined Stream Classes .......................................................................9-16
Creating or Modifying Stream Classes...............................................................9-16
Specifying a Global Stream Class ......................................................................9-17
Specifying Stream Classes for Flowsheet Sections............................................9-18
Specifying Stream Classes for Individual Streams.............................................9-18
Defining New Substreams ..............................................................................................9-19
About Particle Size Distributions ...................................................................................9-19
Changing Particle Size Distribution Intervals ....................................................9-20
Creating New Particle Size Distributions...........................................................9-20
Specifying Heat Streams ................................................................................................9-21
Working with Load Streams...........................................................................................9-21
Specifying Work Streams...............................................................................................9-22
Using PseudoProduct Streams........................................................................................9-24
About Stream Libraries ..................................................................................................9-24
Accessing Stream Libraries ................................................................................9-25

Unit Operation Models 10-1

Overview ........................................................................................................................10-1
Choosing the Right Unit Operation Model.....................................................................10-1
Mixers and Splitters........................................................................................................10-3
Mixer ..................................................................................................................10-3
FSplit ..................................................................................................................10-3
SSplit ..................................................................................................................10-3
Separators .......................................................................................................................10-4
Flash2..................................................................................................................10-4
Flash3..................................................................................................................10-5

viii • Contents Aspen Plus 11.1 User Guide

 Decanter..............................................................................................................10-5
Sep ......................................................................................................................10-5
Sep2 ....................................................................................................................10-5
Heat Exchangers .............................................................................................................10-6
Heater..................................................................................................................10-6
HeatX..................................................................................................................10-6
MHeatX ............................................................................................................10-10
HxFlux..............................................................................................................10-10
Hetran ...............................................................................................................10-10
Aerotran ............................................................................................................10-11
HTRI-Xist.........................................................................................................10-11
Columns........................................................................................................................10-12
DSTWU............................................................................................................10-12
Distl ..................................................................................................................10-13
SCFrac ..............................................................................................................10-13
RadFrac.............................................................................................................10-13
MultiFrac ..........................................................................................................10-17
PetroFrac...........................................................................................................10-18
RateFrac............................................................................................................10-21
Batch Distillation - BatchFrac ..........................................................................10-22
Extract...............................................................................................................10-22
Reactors ........................................................................................................................10-23
RStoic ...............................................................................................................10-23
RYield...............................................................................................................10-23
REquil...............................................................................................................10-23
RGibbs ..............................................................................................................10-24
RCSTR .............................................................................................................10-24
RPlug ................................................................................................................10-24
RBatch ..............................................................................................................10-25
Pressure Changers.........................................................................................................10-25
Pump.................................................................................................................10-25
Compr ...............................................................................................................10-25
MCompr ...........................................................................................................10-25
Pipeline .............................................................................................................10-26
Pipe ...................................................................................................................10-26
Valve.................................................................................................................10-26
Manipulators.................................................................................................................10-26
Mult ..................................................................................................................10-26
Dupl ..................................................................................................................10-26
ClChng..............................................................................................................10-26
Analyzer............................................................................................................10-26
Feedbl ...............................................................................................................10-27
Selector .............................................................................................................10-27
Measurement ....................................................................................................10-27
Solids ............................................................................................................................10-27
Crystallizer........................................................................................................10-27

Aspen Plus 11.1 User Guide Contents • ix

 Crusher..............................................................................................................10-28
Screen ...............................................................................................................10-28
FabFl.................................................................................................................10-28
Cyclone.............................................................................................................10-28
VScrub ..............................................................................................................10-28
ESP ...................................................................................................................10-28
HyCyc...............................................................................................................10-29
CFuge................................................................................................................10-29
Filter..................................................................................................................10-29
SWash...............................................................................................................10-29
CCD..................................................................................................................10-29
User Models..................................................................................................................10-29
Fortran and Excel Unit Operation Models .......................................................10-30
CAPE-OPEN COM Unit Operation Models ....................................................10-30
Aspen Modeler Flowsheets ..............................................................................10-31
User3.................................................................................................................10-34
Hierarchy ......................................................................................................................10-34
Specifying Unit Operation Models...............................................................................10-34
Overriding Global Specifications for a Block ..............................................................10-35
Requesting Heating/Cooling Curve Calculations.........................................................10-36
How to Request Heating/Cooling Curves ........................................................10-36

Running Your Simulation 11-1

Overview ........................................................................................................................11-1
Running the Simulation Interactively.............................................................................11-2
Commands for Controlling Simulations.............................................................11-3
Changing Interactive Simulation Speed .............................................................11-4
Reinitializing SM Simulation Calculations ........................................................11-4
Reinitializing EO Simulation Calculations ........................................................11-5
Viewing the Status of the Simulation.................................................................11-6
Checking the Status of Calculations...................................................................11-7
Checking the Simulation History .......................................................................11-7
Running the Simulation on the Aspen Plus Host Computer ..........................................11-8
Communicating with a Remote Aspen Plus Host Computer .............................11-9
Running a Simulation Batch (Background)....................................................................11-9
Starting a Batch Run...........................................................................................11-9
Checking the Status of a Batch Run ...................................................................11-9
Running Aspen Plus Standalone...................................................................................11-10
Editing the Input File for Standalone Runs ......................................................11-10
Changing Run Settings and User Databanks................................................................11-12
Interactively Load Results ................................................................................11-13
Animate Flowsheet ...........................................................................................11-13
Allow Run Only When Input is Complete .......................................................11-13
Edit Keyword Input Data Before Starting Calculations ...................................11-13
Copy Data Regression and Property Constant Estimation Results onto Property
Parameter Forms...............................................................................................11-13

x • Contents Aspen Plus 11.1 User Guide

 Activating and Deactivating Blocks .............................................................................11-14
Running an EO Simulation...........................................................................................11-15

Examining Results and Generating Reports 12-1

Overview ........................................................................................................................12-1
Viewing Simulation Results Interactively......................................................................12-1
Viewing Results of an EO Simulation............................................................................12-2
Viewing Current Simulation Results..................................................................12-2
Checking the Completion Status of a Run......................................................................12-3
Checking Completion Status in the Control Panel .............................................12-4
Checking Completion Status in the History File ................................................12-4
Checking the Convergence Status of a Run ...................................................................12-5
Displaying Stream Results..............................................................................................12-6
Removing Streams from Flowsheets..................................................................12-6
Displaying Stream Results from Sheets .............................................................12-7
Formatting Stream Results .................................................................................12-7
Displaying Heat and Work Stream Results ........................................................12-8
Displaying EO Variable Results.........................................................................12-8
Generating an Aspen Plus Report File ...........................................................................12-8
Exporting a Report File ......................................................................................12-9
Viewing a Section of the Report.......................................................................12-10

Working with Plots 13-1

Overview ........................................................................................................................13-1
About Plots .....................................................................................................................13-1
Step 1: Displaying the Data ............................................................................................13-2
Step 2: Generating a Plot ................................................................................................13-2
Using the Plot Wizard ........................................................................................13-2
Generating a Plot by Selecting Variables ...........................................................13-6
Step 3: Customizing the Appearance of a Plot ...............................................................13-7
Adding and Modifying Annotation Text ............................................................13-7
Changing Plot Properties ....................................................................................13-8
Working with Plots.......................................................................................................13-13
Updating Plots When Results Change..............................................................13-13
Adding Data to Plots ........................................................................................13-13
Comparing Runs Using Plots ...........................................................................13-14
Deleting Data Points and Curves from Plots ....................................................13-14
Displaying a Different Range of Data on a Plot...............................................13-15
Changing Plot Defaults.....................................................................................13-15
Printing a Plot ...................................................................................................13-16

Annotating Process Flowsheets 14-1

Overview ........................................................................................................................14-1
Adding Annotations........................................................................................................14-2
Adding Stream Tables ........................................................................................14-2
Adding Graphics Objects....................................................................................14-3

Aspen Plus 11.1 User Guide Contents • xi

 Adding Text Objects...........................................................................................14-4
About Global Data..........................................................................................................14-5
Displaying Global Data ......................................................................................14-6
About PFD Mode............................................................................................................14-6
Using PFD Mode to Change Flowsheet Connectivity........................................14-6
Creating a Process Flow Diagram ......................................................................14-8
Grouping Objects............................................................................................................14-8
Creating Temporary Groups...............................................................................14-9
Creating Permanent Groups..............................................................................14-10
Aligning Objects in Flowsheets........................................................................14-10
Attaching Objects to the Flowsheet..................................................................14-11
Printing .........................................................................................................................14-12
Using Page Setup..............................................................................................14-12
Printing a Flowsheet .........................................................................................14-13
Printing a Section of Flowsheet........................................................................14-13
Printing Large Flowsheets ................................................................................14-14

Managing Your Files 15-1

Overview ........................................................................................................................15-1
File Formats in Aspen Plus.............................................................................................15-2
Document Files (*.apw) .....................................................................................15-2
Backup Files (*.bkp)...........................................................................................15-3
Template Files (*.apt).........................................................................................15-6
Input Files (*.inp) ...............................................................................................15-7
Report Files (*.rep).............................................................................................15-8
Summary Files (*.sum).......................................................................................15-8
Run Messages Files (*.cpm)...............................................................................15-9
History Files (*.his) ............................................................................................15-9
Opening Aspen Plus Files.............................................................................................15-10
Types of Files You Can Open ..........................................................................15-10
Using the Favorites List....................................................................................15-11
Saving a Run.................................................................................................................15-11
Exporting Aspen Plus Files ..........................................................................................15-11
Types of Files You Can Export ........................................................................15-12
Importing Aspen Plus Files ..........................................................................................15-12
Types of Files You Can Import ........................................................................15-13
Deciding How to Store a Simulation Problem Definition............................................15-13
Managing Files in a Client-Server Environment..........................................................15-13
Specifying the Working Directory on the Host Computer ...............................15-14
Saving Files ......................................................................................................15-14
View History.....................................................................................................15-14
Converting Pro/II Input Keyword Files........................................................................15-15

Customizing Your Aspen Plus Environment 16-1

Overview ........................................................................................................................16-1
Choosing Settings for the Current Run...........................................................................16-2

xii • Contents Aspen Plus 11.1 User Guide

 Customizing Settings for All Runs.................................................................................16-2
Choosing View Options......................................................................................16-3
Using Toolbars ...................................................................................................16-4
Specifying Default Options ............................................................................................16-5
Using the General Tab........................................................................................16-6
Using the Component Data Tab .........................................................................16-8
Using the Results View Tab .............................................................................16-11
Using the Flowsheet Tab ..................................................................................16-13
Using the Grid/Scale Tab .................................................................................16-14
Using the Plots Tab...........................................................................................16-14
Using the Run Tab............................................................................................16-15
Using the Startup Tab .......................................................................................16-16
Using the Styles Tab.........................................................................................16-16
Using the Online Tab........................................................................................16-17
Using the Upward Compatibility Tab ..............................................................16-17
Using the Window Menu..............................................................................................16-17
Using Workbook Mode ....................................................................................16-17
Customizing Application Template Files .....................................................................16-18
About User Model Libraries.........................................................................................16-19
Creating and Manipulating User Libraries .......................................................16-19
Adding Models to User Model Libraries..........................................................16-20
Changing Icons for Models in User Libraries ..................................................16-25

Convergence 17-1
Overview ........................................................................................................................17-1
SM Convergence ............................................................................................................17-1
Flowsheet Recycles and Design Specifications..............................................................17-2
Convergence Options .....................................................................................................17-3
Specifying Tear Convergence Parameters..........................................................17-3
Specifying Default Methods...............................................................................17-5
Specifying Sequencing Parameters ....................................................................17-5
Specifying Convergence Method Parameters.....................................................17-6
Specifying Tear Streams.................................................................................................17-7
Initial Estimates for Tear Streams ......................................................................17-8
Specifying User-Defined Convergence Blocks..............................................................17-8
Convergence Methods ....................................................................................................17-9
WEGSTEIN Method ..........................................................................................17-9
DIRECT Method ..............................................................................................17-11
Secant Method ..................................................................................................17-11
BROYDEN Method .........................................................................................17-12
NEWTON Method ...........................................................................................17-13
COMPLEX Method..........................................................................................17-14
SQP Method .....................................................................................................17-14
Specifying Convergence Order ....................................................................................17-16
Specifying the Calculation Sequence ...........................................................................17-16
Using Initial Guesses ....................................................................................................17-18

Aspen Plus 11.1 User Guide Contents • xiii

 Flowsheet Sequencing ..................................................................................................17-18
Obtaining Final Convergence Sequence...........................................................17-19
Adding Special Options to the Sequence .........................................................17-20
Viewing the Sequence ......................................................................................17-20
Checking Convergence Results ....................................................................................17-23
Control Panel Messages................................................................................................17-24
Strategies for Flowsheet Convergence .........................................................................17-26
Calculator Block Convergence Suggestions.....................................................17-30
Resolving Sequence and Convergence Problems.............................................17-30
EO Convergence...........................................................................................................17-35
Specifying EO Convergence Options...........................................................................17-36
About the DMO Solver.................................................................................................17-37
Changing DMO Solver Parameters ..............................................................................17-39
Using Creep Mode............................................................................................17-40
Viewing Iteration Summary Information .........................................................17-40
Specifying Active Set Initialization Parameters...............................................17-42
Using Micro-Infeasibility Handling .................................................................17-42
Applying a Trust Region ..................................................................................17-43
Viewing DMO Solver Report Information...................................................................17-44
Problem Information.........................................................................................17-45
Basic Iteration Information...............................................................................17-45
Largest Unscaled Residuals..............................................................................17-45
Constrained Variables and Shadow Price.........................................................17-46
General Iteration Information...........................................................................17-47
Nonlinearity Ratios...........................................................................................17-48
Guidelines for Using the DMO Solver .........................................................................17-49
Scaling ..............................................................................................................17-49
Handling Infeasible Solutions ..........................................................................17-50
Handling Singularities ......................................................................................17-51
Variable Bounding............................................................................................17-52
Run-Time Intervention .....................................................................................17-52
About the LSSQP Solver..............................................................................................17-53
Changing LSSQP Solver Parameters ...........................................................................17-54
Viewing Iteration Summary Information .........................................................17-56
Viewing LSSQP Solver Report Information ................................................................17-58
Basic Iteration Information...............................................................................17-59
Independent Variables ......................................................................................17-59
Constrained Variables.......................................................................................17-60
Largest Scaled Variable Changes .....................................................................17-61
Inactive Equations ............................................................................................17-61
Largest Scaled Residuals ..................................................................................17-61
Largest Block RMS Residuals..........................................................................17-62
Line Search Information...................................................................................17-62
Objective and Worst Merit Function Contributors...........................................17-63
Guidelines for Using the LSSQP Solver ......................................................................17-63
Scaling ..............................................................................................................17-63

xiv • Contents Aspen Plus 11.1 User Guide

 Handling Infeasible Solutions ..........................................................................17-65
Handling Singularities ......................................................................................17-65
Handling Infeasible QPs...................................................................................17-66
Variable Bounding............................................................................................17-66

Accessing Flowsheet Variables 18-1

Overview ........................................................................................................................18-1
Accessing SM Variables.................................................................................................18-1
Accessing Flowsheet Variables ......................................................................................18-2
Types of Accessed Flowsheet Variables ........................................................................18-2
Block Variables ..................................................................................................18-3
Stream Variables.................................................................................................18-3
Other Variables...................................................................................................18-4
Property Parameters............................................................................................18-4
Variable Definition Dialog Box .....................................................................................18-4
Choosing Input or Results Variables ..............................................................................18-6
Guidelines for Choosing Input or Results Variables ..........................................18-7
Using Parameter Variables .............................................................................................18-7
Accessing Vectors ........................................................................................................18-11
Accessing Stream and Substream Vectors ...................................................................18-11
Substream MIXED and Stream Class CONVEN.............................................18-12
Substream CISOLID.........................................................................................18-14
Substream NC...................................................................................................18-14
Component Attributes and PSD .......................................................................18-15
Accessing Block Vectors..............................................................................................18-16
Variables Dependent on Stage Number or Segment Number ..........................18-17
Variables Dependent on Section Number ........................................................18-18
Variables Dependent on Operation Step Number ............................................18-19
Variables Dependent on Component Number..................................................18-19
Variables Dependent on Component Number and Stage or Segment Number18-19
Variables Dependent on Stage Number and Section Number..........................18-21
Variables Dependent on Stage Number and Operation Step Number..............18-22
Variables Dependent on Component Number, Stage Number, and Stripper
Number .............................................................................................................18-22
Variables Dependent on Component Number, Stage Number, and Operation Step
Number .............................................................................................................18-23
Variables Dependent on Component Number, Accumulator Number, and
Operation Step Number ....................................................................................18-23
MHeatX Profiles...............................................................................................18-24
Reactor Profiles ................................................................................................18-24
Accessing Property Parameter Vectors ........................................................................18-25
EO Variables.................................................................................................................18-28
EO Variable Naming Conventions ...............................................................................18-29
Mole Fraction-Based Models ...........................................................................18-29
Equations ..........................................................................................................18-29
Mole Fraction Streams......................................................................................18-30

Aspen Plus 11.1 User Guide Contents • xv

 EO Variable Attributes .................................................................................................18-31
Variable Bounds ...............................................................................................18-32
Accessing EO Variables ...............................................................................................18-34
Synchronizing the Model..............................................................................................18-35
Using the EO Variables Form ......................................................................................18-35
Sorting the Variables List .................................................................................18-36
Customizing the Variables List Display...........................................................18-36
Using the EO Variables Dialog Box ............................................................................18-38
Customizing the EO Variables Display............................................................18-38
Using the Query Dialog Box ........................................................................................18-39
EO Aliases ....................................................................................................................18-40
EO Ports........................................................................................................................18-40
Creating a Port ..................................................................................................18-41

Calculator Blocks and In-Line Fortran 19-1

Overview ........................................................................................................................19-1
About Calculator Blocks ................................................................................................19-1
Using Fortran in Aspen Plus...........................................................................................19-2
Using Fortran in Calculator Blocks ................................................................................19-3
Creating a Calculator Block Using Fortran ........................................................19-3
Using Excel in Calculator Blocks...................................................................................19-3
Creating a Calculator Block Using Excel...........................................................19-4
Identifying Flowsheet Variables.....................................................................................19-4
Specifying Calculations..................................................................................................19-6
Entering Fortran Statements and Declarations ...................................................19-6
Entering Excel Formulas ....................................................................................19-7
Specifying When the Calculator Block is Executed.......................................................19-7
Import and Export Variables ..............................................................................19-8
Converging Loops Introduced by Calculator Blocks .....................................................19-8
Specifying Export Variables as Tear Variables..................................................19-9
Rules for In-Line Fortran Statements ...........................................................................19-12
Disabling Syntax Checking ..............................................................................19-12
Writing to the Screen and Aspen Plus Files .................................................................19-13
Interactive Read Statements .........................................................................................19-13
Retaining Variables Between Iterations and Blocks ....................................................19-14
About the Interpreter ....................................................................................................19-15
About External Fortran Subroutines.............................................................................19-16
EO Usage Notes for Calculator ....................................................................................19-17

Sensitivity 20-1
Overview ........................................................................................................................20-1
About Sensitivity Analysis .............................................................................................20-1
SM Sensitivity ................................................................................................................20-2
About Sensitivity Blocks ....................................................................................20-2
Defining a Sensitivity Block...........................................................................................20-3
Creating a Sensitivity Block ...............................................................................20-3

xvi • Contents Aspen Plus 11.1 User Guide

 Identifying the Sampled Flowsheet Variables....................................................20-3
Identifying Manipulated Flowsheet Variables ...................................................20-4
Defining Tabulated Variables.............................................................................20-5
Reinitializing Blocks and Streams......................................................................20-5
Entering Optional Fortran Statements ................................................................20-6
Fortran Declarations .......................................................................................................20-6
EO Sensitivity...............................................................................................................20-11
Creating an EO Sensitivity Object....................................................................20-11
Calculating EO Sensitivity and Viewing Results .............................................20-13

Design Specifications: Feedback Control 21-1

Overview ........................................................................................................................21-1
SM Design Specs............................................................................................................21-1
About Design Specifications ..........................................................................................21-1
Defining a Design Specification.....................................................................................21-3
Creating a Design Specification .........................................................................21-3
Identifying Sampled Flowsheet Variables..........................................................21-3
Entering the Design Specification ......................................................................21-4
Identifying the Manipulated Variable.................................................................21-5
Entering Optional Fortran Statements ................................................................21-5
Using the Fortran Sheet ......................................................................................21-6
Troubleshooting Design Specifications..........................................................................21-6
EO Spec Groups ...........................................................................................................21-15
Choosing Variables for a Spec Group ..............................................................21-16
Creating a Spec Group......................................................................................21-17

EO Run Modes 22-1

Overview ........................................................................................................................22-1
The Four Equation-Oriented (EO) Run Modes ..............................................................22-2
EO Simulation Run Mode ..................................................................................22-2
EO Optimization Run Mode...............................................................................22-3
EO Parameter Estimation Run Mode .................................................................22-3
EO Reconciliation Run Mode.............................................................................22-3
Fixed, Free, and DOF Variables.....................................................................................22-3
Net Specification ............................................................................................................22-4
EO Variable Specifications ............................................................................................22-6
EO Objective Functions..................................................................................................22-6
Defining an EO Objective Function ...................................................................22-7
Setting an EO Objective Function for a Run......................................................22-8
Selecting Degree-of-Freedom Variables ........................................................................22-8
Other EO Variable Attributes .........................................................................................22-9
Parameter Estimation Versus Reconciliation ...............................................................22-10
Measurements...............................................................................................................22-10
Configuring Specifications for Measurements .............................................................22-12
Measurements that Pass Information to the Model ......................................................22-13
Sending a Constant Value to the Model ...........................................................22-13

Aspen Plus 11.1 User Guide Contents • xvii

 Setting the Initial Value of an Optimized Variable ..........................................22-13
Setting the Initial Value of a Reconciled Variable ...........................................22-14
Setting the Initial Value of an Independent Variable .......................................22-14
Measurements that Report Information from the Model..............................................22-14
Measurements that Pass Information Differently in Different Modes .........................22-15
Measurements on Measured Variables.............................................................22-15
Measurements on Parameterized Variables......................................................22-15
EO Troubleshooting .....................................................................................................22-15
EO Troubleshooting: Case 1.............................................................................22-16
EO Troubleshooting: Case 2.............................................................................22-16

Optimization and Data-Fit 23-1

Optimization Overview ..................................................................................................23-1
About Optimization ........................................................................................................23-1
Convergence of Optimization Problems ............................................................23-2
Recommended Procedure for Optimization ...................................................................23-2
Defining an Optimization Problem ................................................................................23-3
Creating an Optimization Problem .....................................................................23-3
Identifying Sampled Flowsheet Variables..........................................................23-3
Entering the Objective Function.........................................................................23-4
Identifying the Manipulated Variable.................................................................23-5
About Constraints ...........................................................................................................23-5
Defining Constraints...........................................................................................23-6
Creating Constraints ...........................................................................................23-6
Identifying Sampled Flowsheet Variables for Constraints.................................23-6
Specifying the Constraint Expression ................................................................23-7
Entering Optional Fortran Statements ............................................................................23-8
Using the Fortran Sheet ......................................................................................23-8
Fortran Declarations .......................................................................................................23-8
Convergence of Optimization Problems ........................................................................23-9
COMPLEX Method............................................................................................23-9
Sequential Quadratic Programming (SQP) Method ...........................................23-9
Troubleshooting Optimization Problems .....................................................................23-10
Data-Fit Overview ........................................................................................................23-23
Types of Data-Fit Applications ....................................................................................23-23
Defining a Data-Fit Problem ........................................................................................23-24
Creating Point-Data Data Sets......................................................................................23-24
Identifying Flowsheet Variables.......................................................................23-25
Entering the Measured Point-Data ...................................................................23-27
Creating Profile-Data Sets ............................................................................................23-28
Identifying Profile Variables ............................................................................23-28
Entering the Measured Profile-Data .................................................................23-29
Defining Data-Fit Regression Cases.............................................................................23-30
Creating Data-Fit Regression Cases .................................................................23-30
Convergence Parameters ..................................................................................23-31
Advanced Parameters .......................................................................................23-32

xviii • Contents Aspen Plus 11.1 User Guide

 Data-Fit Numerical Formulation ..................................................................................23-32
Ensuring Well-Formulated Data-Fit Problems.............................................................23-33
Example of a Well-Formulated Data-Fit Problem ...........................................23-34
Bound Factor ....................................................................................................23-35
Estimating Unmeasured Variables ...................................................................23-35
Sequencing Data-Fit .....................................................................................................23-35
Using Data-Fit Results .................................................................................................23-36
Troubleshooting............................................................................................................23-37

Transferring Information Between Streams or Blocks 24-1

Overview ........................................................................................................................24-1
Transfer Blocks...............................................................................................................24-1
Defining a Transfer Block ..............................................................................................24-2
Creating a Transfer Block...............................................................................................24-2
Copying Flowsheet Variables.........................................................................................24-2
Copying Streams.................................................................................................24-3
Copying Stream Flow.........................................................................................24-3
Copying Substreams ...........................................................................................24-3
Copying Block or Stream Variables...................................................................24-3
Specifying Transfer Block Execution.............................................................................24-4
Entering Flash Specifications for Destination Streams ..................................................24-4
Types of Flash ....................................................................................................24-5
How to Enter Flash Specifications .....................................................................24-5
EO Usage Notes for Transfer .........................................................................................24-7
Equation Oriented Connection Equations ......................................................................24-8
Specifying Equation Oriented Connections .......................................................24-8
Bias and Scale Factors in Equation Oriented Connections ................................24-8
Effects of Equation Oriented Connections on Variable Specifications..............24-9

Balance Blocks 25-1

Overview ........................................................................................................................25-1
Defining a Balance Block...............................................................................................25-1
Creating a Balance Block ...............................................................................................25-2
Specifying Blocks and Streams for Balance Calculations..............................................25-3
Specifying and Updating Stream Variables....................................................................25-4
Convergence Parameters ................................................................................................25-4
Sequencing Balance Blocks............................................................................................25-5
Flash Specifications........................................................................................................25-5
Material and Energy Balance Equations ........................................................................25-5

Case Study 26-1

Overview ........................................................................................................................26-1
Using Case Study............................................................................................................26-1
Creating a Case Study.....................................................................................................26-2
Identifying Case Study Variables ...................................................................................26-2
Specifying Values for Case Study Variables..................................................................26-3

Aspen Plus 11.1 User Guide Contents • xix

 Resetting Initial Values ......................................................................................26-3
Entering a Description ........................................................................................26-4
Specifying Report Options for Case Studies ..................................................................26-4

Specifying Reactions and Chemistry 27-1

Overview ........................................................................................................................27-1
About Reactions and Chemistry.....................................................................................27-1
Reactions ............................................................................................................27-2
Chemistry............................................................................................................27-2
About Electrolytes Chemistry ........................................................................................27-2
Specifying Electrolytes Chemistry .................................................................................27-3
Defining Stoichiometry for Electrolytes Chemistry...........................................27-4
Defining Equilibrium Constants for Electrolytes Chemistry .............................27-5
Specifying Power Law Reactions for Reactors and Pressure Relief Systems................27-7
Equilibrium Reactions (for RCSTR only) ..........................................................27-8
Rate-Controlled Reactions................................................................................27-10
Reactions With Solids ..................................................................................................27-11
Stoichiometry and Reaction Rate .....................................................................27-12
Volume Basis for Concentrations.....................................................................27-12
Specifying LHHW Reactions for Reactors and Pressure Relief Systems ....................27-13
Equilibrium Reactions for LHHW (for RCSTR only) .....................................27-13
Rate-Controlled Reactions for LHHW .............................................................27-14
Specifying Reactions for Reactive Distillation ............................................................27-16
Equilibrium Reactions ......................................................................................27-17
Rate Controlled Reactions ................................................................................27-19
Fractional Conversion Reactions (for RadFrac only).......................................27-21
Salt Precipitation Reactions (for RadFrac only)...............................................27-22
Using a User-Kinetics Subroutine ................................................................................27-24

Property Sets 28-1

Overview ........................................................................................................................28-1
About Property Sets........................................................................................................28-1
Defining a Property Set ..................................................................................................28-2
Using the Search Dialog Box .............................................................................28-3
Specifying Phase Qualifiers................................................................................28-3
Specifying Temperature and Pressure Qualifiers ...............................................28-4
User-Defined Properties .................................................................................................28-5

Analyzing Properties 29-1

Overview ........................................................................................................................29-1
About Property Analysis ................................................................................................29-2
Generating Property Analyses Interactively...................................................................29-2
Pure Component Properties ................................................................................29-3
Properties for Binary Systems ............................................................................29-6
Residue Curves .................................................................................................29-14
Stream Properties..............................................................................................29-16

xx • Contents Aspen Plus 11.1 User Guide

 Generating Property Analyses Using Forms ................................................................29-20
Creating A Property Analysis Using Forms .....................................................29-21
Pure...................................................................................................................29-21
Binary ...............................................................................................................29-21
Generic..............................................................................................................29-22
Pressure-Temperature Envelopes .....................................................................29-27
Residue Curves .................................................................................................29-32
Property Methods Specifications for Property Analysis ..............................................29-33
Examining Property Analysis Results ..........................................................................29-33
Using Aspen Split.........................................................................................................29-33

Estimating Property Parameters 30-1

Overview ........................................................................................................................30-1
About Property Estimation .............................................................................................30-1
Property Estimation on a Standalone Basis........................................................30-2
Property Estimation in a Flowsheet, Property Analysis, PROPERTIES PLUS, or
Data Regression Run ..........................................................................................30-2
What Property Parameters Can Aspen Plus Estimate?...................................................30-2
Required Information for Parameter Estimation ............................................................30-6
Defining Molecular Structure Using the General Method .............................................30-6
Atoms Numbers and Types ................................................................................30-7
Defining Molecular Structure Using Method-Specific Functional Groups....................30-8
Identifying Parameters to be Estimated..........................................................................30-9
Estimating Pure Component Parameters ..........................................................30-11
Estimating Temperature-Dependent Properties................................................30-12
Estimating Binary Parameters ..........................................................................30-14
Estimating UNIFAC Group Parameters ...........................................................30-16
Using Experimental Data to Improve Estimated Parameters ...........................30-16
Comparing Estimated Parameters to Experimental Data .................................30-19
Examining Parameter Estimation Results ........................................................30-20
Using Estimated Parameters.........................................................................................30-21
Saving Estimation Results Automatically ........................................................30-21
Not Saving Estimation Results Automatically .................................................30-22

Regressing Property Data 31-1

Overview ........................................................................................................................31-1
Setting Up a Regression .................................................................................................31-2
Selecting a Property Method ..........................................................................................31-2
Entering Supplemental Parameters.................................................................................31-3
Fitting Pure Component Data .........................................................................................31-3
Entering Pure Component Data......................................................................................31-3
Fitting Phase Equilibrium and Mixture Data..................................................................31-4
Entering Phase Equilibrium and Mixture Data...............................................................31-4
Generating Binary VLE and LLE Data ..........................................................................31-8
Entering Standard Deviations of Measurements ............................................................31-9
Plotting Experimental Data ..........................................................................................31-10

Aspen Plus 11.1 User Guide Contents • xxi

 Formulating a Regression Case ....................................................................................31-10
Specifying Parameters to be Regressed............................................................31-12
Thermodynamic Consistency Test for VLE Data ........................................................31-13
Evaluating the Accuracy of Known Model Parameters ...............................................31-14
Running the Regression................................................................................................31-14
Using Regression Results .............................................................................................31-15
Examining Regression Results .........................................................................31-15
Plotting Regression Results ..............................................................................31-16
Comparing Results from Several Cases ...........................................................31-18
Using Regression Results in a Flowsheet Run .................................................31-18
Retrieving Data From DETHERM and the Internet.........................................31-18

Petroleum Assays and Pseudocomponents 32-1

Overview ........................................................................................................................32-1
About ADA/PCS ............................................................................................................32-1
Using ADA/PCS.............................................................................................................32-2
Creating Assays ..............................................................................................................32-3
Defining an Assay Using the Components Specifications Selection Sheet .......32-3
Defining an Assay Using the Assay-Blend Object Manager .............................32-3
Entering Assay Data .......................................................................................................32-3
Entering a Distillation Curve and Bulk Gravity Value.......................................32-4
Entering a Gravity Curve....................................................................................32-4
Entering a Molecular Weight Curve...................................................................32-5
Entering Light-Ends Analysis ............................................................................32-5
Entering Petroleum Property Curves..................................................................32-5
Entering Viscosity Curves ..................................................................................32-6
Creating a Blend .............................................................................................................32-7
Defining a Blend Using the Components Specifications Selection Sheet..........32-7
Defining a Blend Using the Assay-Blend Object Manager................................32-7
Entering Blend Specifications ........................................................................................32-8
Specifying Assay Analysis Options ...............................................................................32-8
Modifying Petroleum Property Definitions..................................................................32-10
About Pseudocomponents ............................................................................................32-10
Entering Specifications for Generation of Pseudocomponents ....................................32-11
Defining Pseudocomponents and Entering Pseudocomponent Properties ...................32-13
Entering Basic Properties for Pseudocomponents............................................32-13
Entering Temperature-Dependent Properties for Pseudocomponents..............32-14
About Pseudocomponent Property Methods ................................................................32-14
Creating Pseudocomponent Property Methods ............................................................32-15
Defining a New Petroleum Property ............................................................................32-16
Examining ADA/PCS Results......................................................................................32-17
Examining ADA Results ..................................................................................32-17
Examining Pseudocomponent Property Results...............................................32-18

Pressure Relief Calculations 33-1

Overview ........................................................................................................................33-1

xxii • Contents Aspen Plus 11.1 User Guide

 About Pressure Relief Calculations................................................................................33-1
Creating a Pressure Relief Block........................................................................33-2
About Pressure Relief Scenarios ....................................................................................33-3
Selecting a Pressure Relief Scenario ..............................................................................33-5
Specifying the Inlet Stream for Steady State Scenarios .....................................33-6
Specifying Initial Vessel Contents for Dynamic Scenarios................................33-8
Design Rules.................................................................................................................33-10
Specifying the Venting System ....................................................................................33-12
Specifying the Relief Device............................................................................33-13
Specifying the Vessel Neck..............................................................................33-15
Specifying the Inlet Pipe...................................................................................33-16
Specifying the Tail Pipe ...................................................................................33-18
Specifying Dynamic Input............................................................................................33-18
Specifying Reactive Systems for Dynamic Scenarios......................................33-22
Specifying When to Stop Dynamic Calculations .............................................33-23
Examining Results of Pressure Relief Calculations .....................................................33-24
Steady-State Results .........................................................................................33-25
Dynamic Results...............................................................................................33-26

Inserts 34-1
Overview ........................................................................................................................34-1
What is an Insert? ...........................................................................................................34-1
Creating an Insert................................................................................................34-2
Importing Inserts.................................................................................................34-2
Resolving ID Conflicts .......................................................................................34-3
Creating a Property Package...........................................................................................34-5
Using Electrolyte Inserts From the Aspen Plus Insert Library.......................................34-5
Hiding Objects................................................................................................................34-6
Revealing Objects...............................................................................................34-6

Creating Stream Libraries 35-1

Overview ........................................................................................................................35-1
Creating or Modifying a Stream Library........................................................................35-2
Running STRLIB Interactively ..........................................................................35-2
Running STRLIB in Batch Mode.......................................................................35-2
STRLIB Commands .......................................................................................................35-4
Example of Creating a Library with Two Cases ................................................35-7
Example of Creating a Library with One Case...................................................35-8

Stream Summary Formats 36-1

About Stream Summary Formats ...................................................................................36-1
About the Aspen Plus TFFs............................................................................................36-2
Creating a TFF................................................................................................................36-3
TFF File Format and Options .............................................................................36-3
Basic Stream Result Properties.......................................................................................36-7
Qualifier Descriptions for DISPLAY and PROP ...............................................36-9

Aspen Plus 11.1 User Guide Contents • xxiii

 Option Descriptions for DISPLAY and PROP ................................................36-10
Header Sentence Order in the Stream Table ....................................................36-18
Formats for Numbers........................................................................................36-18
The NORMALIZE Option ...............................................................................36-19
PPM, PPB, and TRACE Options .....................................................................36-20

Working with Other Windows Programs 37-1

Overview ........................................................................................................................37-1
About Copying, Pasting, and OLE .................................................................................37-1
Copying and Pasting Simulation Data................................................................37-2
Copying and Pasting Plots and Other Images ..................................................37-10
Creating Active Links Between Aspen Plus and Other Windows Applications..........37-13
Creating Active Links Between an Aspen Plus Result and another Windows
Application .......................................................................................................37-13
Creating Active Links from a Windows Application to Aspen Plus Input Fields
..........................................................................................................................37-17
Saving and Opening Files with Active Links...............................................................37-18
Saving Files with Active Links ........................................................................37-19
Opening Files with Active Links......................................................................37-19
Using Embedded Objects in the Process Flowsheet Window......................................37-21
Embedding an Object Using Copy and Paste...................................................37-21
Embedding an Object Using the Insert Object Dialog Box..............................37-21
Modifying an Embedded Object.......................................................................37-22
Saving a Run With an Embedded Object .........................................................37-23

Using the Aspen Plus ActiveX Automation Server 38-1

Overview ........................................................................................................................38-1
About the Automation Server.........................................................................................38-2
Using the Automation Server .............................................................................38-2
Viewing the Properties and Methods of Aspen Plus Objects.........................................38-3
Objects Exposed by Aspen Plus .........................................................................38-3
The Aspen Plus Tree Structure...........................................................................38-5
Using the Variable Explorer to Navigate the Tree Structure..........................................38-5
Example of Using the Variable Explorer ...........................................................38-6
Navigating the Tree Structure in the Automation Interface ...........................................38-7
Example to Illustrate a Collection Object...........................................................38-8
Dot Notation for Navigating the Tree.................................................................38-9
Data Values.....................................................................................................................38-9
Example of Accessing Data Values..................................................................38-10
Node Attributes.............................................................................................................38-11
Value-related Attributes ...................................................................................38-11
Meta-data Attributes for Records .....................................................................38-12
Attributes for Variable Nodes...........................................................................38-12
Attributes for Multi-dimensioned Variables Nodes .........................................38-12
Flowsheet Connectivity Port Attributes ...........................................................38-13
Other Attributes ................................................................................................38-13

xxiv • Contents Aspen Plus 11.1 User Guide

 Example of Using AttributeValue ....................................................................38-14
Physical Quantities and Units of Measure....................................................................38-15
Retrieving Units of Measure.............................................................................38-15
Converting the Units of Measure for a Value...................................................38-16
Changing the Units of Measure for the Aspen Plus Run..................................38-17
Referencing Non-Scalar Variables in the Automation Interface..................................38-18
Accessing Variables With a Single Identifier: Column Temperature Profile ..38-19
Accessing Variables with 2 Identifiers: Column Composition Profile ............38-21
Accessing Variables With 3 Identifiers: Reaction Coefficients .......................38-22
Flowsheet Connectivity and Automation .....................................................................38-24
Accessing Flowsheet Connectivity...................................................................38-24
Example Code Showing Flowsheet Connectivity ............................................38-24
Manipulating Blocks and Streams....................................................................38-25
Manipulating Libraries and Model Library Categories....................................38-26
Controlling the User Interface from an Automation Client..........................................38-26
Handling Aspen Plus Events ............................................................................38-27
Suppressing Dialog Boxes................................................................................38-28
Disabling User Interface features .....................................................................38-28
Automating the Initial Connection to the Simulation Engine ..........................38-28
Controlling a Simulation from an Automation Client ..................................................38-29
Exporting Files from an Automation Client .................................................................38-34
Members of Aspen Plus Classes...................................................................................38-34
Members of Classes HappLS and HappIP .......................................................38-34
Members of Class IHNode ...............................................................................38-38
Members of Class IHNodeCol .........................................................................38-40
Members of Class IHAPEngine .......................................................................38-42
Members of Class IHAPLibRef .......................................................................38-43

Heat Exchanger Design Program Interface 39-1

Overview ........................................................................................................................39-1
About the Heat Exchanger Design Program Interface ...................................................39-1
Generating Property Data in a Simulation......................................................................39-2
Starting HTXINT............................................................................................................39-3
Selecting Heating/Cooling Curve Results to Export ......................................................39-4
Generating the Interface File ..........................................................................................39-6
Using the Interface File in Your Heat Exchanger Design Program ...............................39-7

Using FACT and ChemApp with Aspen Plus 40-1

FACT/ChemApp Software Requirements......................................................................40-1
Specifying a Simulation Using FACT and ChemApp....................................................40-2
Configuring Aspen Plus to Use the Aspen-FACT-ChemApp interface.............40-2
FACT Components.............................................................................................40-3
Defining Property Methods for the Aspen-FACT-ChemApp Interface.............40-4
Preparing the ChemSage File .............................................................................40-5
Using ChemApp as a Unit Operation Model......................................................40-6

Aspen Plus 11.1 User Guide Contents • xxv

xxvi • Contents Aspen Plus 11.1 User Guide
About This Manual
The Aspen Plus User Guide consists of three volumes that provide
step-by-step instructions for using Aspen Plus® to build and use a
process simulation model.
Volume 1 describes the Aspen Plus user interface and explains
how to perform the basic tasks for creating and running
simulations. Topics include:
• Creating a simulation model
• Defining the flowsheet
• Entering the required information, such as components,
streams and physical property data
• Running the simulation
• Examining results
Volume 2 contains procedures for using additional Aspen Plus
capabilities:
• Convergence
• Sensitivity
• Design specifications
• Optimization
• Property analysis
• Data regression
Volume 3 contains information about:
• Pressure relief calculations
• Stream libraries
• Working with other Windows™ programs
• The Aspen Plus ActiveX® automation interface

Aspen Plus 11.1 User Guide About This Manual • xxvii

 For More Information
Online Help Aspen Plus has a complete system of online help
and context-sensitive prompts. The help system contains both
context-sensitive help and reference information. For more
information about using Aspen Plus help, see the Aspen Plus User
Guide, Chapter 3.
Aspen Plus application examples A suite of sample online
Aspen Plus simulations illustrating specific processes is delivered
with Aspen Plus.
Aspen Engineering Suite Installation Guide This guide
provides instructions on installation of Aspen Plus and other AES
products.
Aspen Plus Getting Started Guides This set of tutorials includes
several hands-on sessions to familiarize you with Aspen Plus. The
guides take you step-by-step to learn the full power and scope of
Aspen Plus.
Aspen Plus User Guide The three-volume Aspen Plus User
Guide provides step-by-step procedures for developing and using
an Aspen Plus process simulation model. The guide is
task-oriented to help you accomplish the engineering work you
need to do, using the powerful capabilities of Aspen Plus.
Aspen Plus reference manual series Aspen Plus reference
manuals provide detailed technical reference information. These
manuals include background information about the unit operation
models available in Aspen Plus, and a wide range of other
reference information. The set comprises:
• Unit Operation Models
• User Models
• System Management
• Summary File Toolkit
• Input Language Guide
Aspen Physical Property System reference manual series
Aspen Physical Property System reference manuals provide
detailed technical reference information. These manuals include
background information about the physical properties methods and
models available in Aspen Plus, tables of Aspen Plus databank
parameters, group contribution method functional groups, and
other reference information. The set comprises:
• Physical Property Methods and Models
• Physical Property Data

xxviii • About This Manual Aspen Plus 11.1 User Guide

 The Aspen Plus manuals are delivered in Adobe portable
document format (PDF) on the Aspen Plus Documentation CD.

Technical Support
World Wide Web For additional information about AspenTech
products and services, check the AspenTech World Wide Web
home page on the Internet at: [Link]
Technical resources AspenTech customers with a valid license
and software maintenance agreement can register to access the
Online Technical Support Center at
[Link]
This web support site allows you to:
• Access current product documentation
• Search for tech tips, solutions and frequently asked questions
(FAQs)
• Search for and download application examples
• Submit and track technical issues
• Send suggestions
• Report product defects
• Review lists of known deficiencies and defects
Registered users can also subscribe to our Technical Support e-
Bulletins. These e-Bulletins are used to proactively alert users to
important technical support information such as:
• Technical advisories
• Product updates and Service Pack announcements
Contacting Customer Customer support is also available by phone, fax, and email for
Support customers with a current support contract for this product. For the
most up-to-date phone listings, please see the Online Technical
Support Center at [Link]
The following contact information was current when this product
was released:

Hours
Support Centers Operating Hours
North America 8:00 – 20:00 Eastern Time
South America 9:00 – 17:00 Local time
Europe 8:30 – 18:00 Central European time
Asia and Pacific Region 9:00 – 17:30 Local time

Aspen Plus 11.1 User Guide About This Manual • xxix

 Phone Support Phone Numbers
Centers
North 1-888-996-7100 Toll-free from U.S., Canada, Mexico
America 1-281-584-4357 North America Support Center
(52) (5) 536-2809 Mexico Support Center
South (54) (11) 4361-7220 Argentina Support Center
America (55) (11) 5012-0321 Brazil Support Center
(0800) 333-0125 Toll-free to U.S. from Argentina
(000) (814) 550-4084 Toll-free to U.S. from Brazil
8001-2410 Toll-free to U.S. from Venezuela
Europe (32) (2) 701-95-55 European Support Center
Country specific toll-free numbers:
Belgium (0800) 40-687
Denmark 8088-3652
Finland (0) (800) 1-19127
France (0805) 11-0054
Ireland (1) (800) 930-024
Netherlands (0800) 023-2511
Norway (800) 13817
Spain (900) 951846
Sweden (0200) 895-284
Switzerland (0800) 111-470
UK (0800) 376-7903
Asia and (65) 395-39-00 Singapore
Pacific (81) (3) 3262-1743 Tokyo
Region

xxx • About This Manual Aspen Plus 11.1 User Guide

 Fax Support Centers Fax Numbers
North America 1-617-949-1724 (Cambridge, MA)
1-281-584-1807 (Houston, TX: both Engineering and
Manufacturing Suite)
1-281-584-5442 (Houston, TX: eSupply Chain Suite)
1-281-584-4329 (Houston, TX: Advanced Control Suite)
1-301-424-4647 (Rockville, MD)
1-908-516-9550 (New Providence, NJ)
1-425-492-2388 (Seattle, WA)
South America (54) (11) 4361-7220 (Argentina)
(55) (11) 5012-4442 (Brazil)
Europe (32) (2) 701-94-45
Asia and Pacific (65) 395-39-50 (Singapore)
Region (81) (3) 3262-1744 (Tokyo)

E-mail Support Centers E-mail

North America support@[Link] (Engineering Suite)
atmdsupport@[Link] (Aspen ICARUS products)
[Link]@[Link] (Aspen MIMI products)
[Link]@[Link] (Aspen PIMS products)
[Link]@[Link] (Aspen Retail products)
[Link]@[Link] (Advanced Control products)
[Link]@[Link] (Manufacturing Suite)
[Link]@[Link] (Mexico)
South America info@[Link] (Argentina)
tecnosp@[Link] (Brazil)
Europe atesupport@[Link] (Engineering Suite)
[Link]@[Link] (All other suites)
cimview@[Link] (CIMVIEW products)
Asia and Pacific atasupport@[Link] (Singapore: Engineering Suite)
Region SG_Support@[Link] (Singapore: All other suites)
atjsupport@[Link] (Tokyo: Engineering Suite)
TK_Support@[Link] (Tokyo: All other suites)

Aspen Plus 11.1 User Guide About This Manual • xxxi

xxxii • About This Manual Aspen Plus 11.1 User Guide
 CHAPTER 1

The User Interface

Overview
For help on the parts of the user interface, see one of the following
topics:
• The Aspen Plus Main window
• The Process Flowsheet window
• The Model Library
• The Data Browser
• The Object Manager
If you are new to Aspen Plus, do the exercises in Aspen Plus
Getting Started Building and Running a Process Model.

Connecting to the Aspen Plus Host

Computer
If:
• The Aspen Plus simulation engine is not installed on your PC,
or
• The Aspen Plus simulation engine is installed on your PC and
you are using the network license manager.
Then you may be asked where to run the simulation engine when
you start Aspen Plus.
See your Aspen Plus system administrator for information specific
to your installation.
1 Start Aspen Plus and select a previous run, template, or blank
simulation.
The Connect to Engine dialog box appears.

Aspen Plus 11.1 User Guide The User Interface • 1-1

 2 Specify where the Aspen Plus engine will run:
Server Type If the Aspen Plus engine runs on
Local PC Your PC, using the network license manager
Windows NT A Windows NT server
server
3 If you specified Windows NT server, enter the following
information in the dialog box:
Enter this information In this box
The type of Aspen Plus engine you want to connect Server Type
to
Node name of the computer the Aspen Plus Node Name
simulation will run on
Your logon name on the host computer User Name
Password for your account on the host computer Password
Working directory on the host computer for Working Directory
Aspen Plus runs
4 When the network connection is established, a message box
appears saying Connection Established.
If the Connection Established box does not appear, see the
Aspen Plus system administrator at your site for more
information on network protocols and Aspen Plus host
computers.
Tip It is possible to change the Connection by selecting
Connect to Engine from the Run menu.
Tip You can specify additional host settings in the Settings
dialog box. To do this, from the Run menu, click Settings.

1-2 • The User Interface Aspen Plus 11.1 User Guide

 The Aspen Plus Main Window
When you start Aspen Plus, the main window appears.

Use the workspace to create and display simulation flowsheets and

PFD-style drawings. You can open other windows, such as Plot
windows or Data Browser windows, from the Aspen Plus main
window.
Tip You can display a window by selecting it from the Window
menu. You can arrange the windows by selecting Tile or Cascade
from the Window menu.

Aspen Plus 11.1 User Guide The User Interface • 1-3

 The parts of the Aspen Plus main window are:
Window Part Description
Titlebar Horizontal bar at top of window that displays the Run
ID.
Simulation 1 is the default ID until you give the run a
name.
Menu bar Horizontal bar below the titlebar. Gives the names of the
available menus.
Toolbar Horizontal bar below the menu bar. Contains buttons
that, when clicked, perform commands.
Next button Invokes the Aspen Plus expert system. Guides you
through the steps required to complete your simulation.
Status bar Displays status information about the current run.
Select Mode Turns off Insert mode for inserting objects, and returns
button you to Select mode.
Process Window where you construct the flowsheet
Flowsheet
window
Model library Area at the bottom of the main window. Lists available
unit operation models.

Aspen Plus Toolbars Use the buttons on the toolbars to perform actions quickly and
easily.
The default toolbars are shown here:

For information on viewing different toolbars, see Viewing

Toolbars.

1-4 • The User Interface Aspen Plus 11.1 User Guide

 The Process Flowsheet Window
The Process Flowsheet window is where you create and display
simulation flowsheets and PFD-style drawings.
You can display the process flowsheet window in three different
ways:
To display the From the Window menu, click
Process Flowsheet window as
A normal window Normal
A window always in the Flowsheet as Wallpaper
background
A sheet of a workbook Workbook mode

The Model Library

Use the Model Library to select unit operation models and icons
that you want placed on the flowsheet. The Model Library appears
at the bottom of the Aspen Plus main window.

Selecting a Unit To select a unit operation model:

Operation Model from 1 Click the tab that corresponds to the type of model you want to
the Model Library place in the flowsheet.
2 Click the unit operation model on the sheet.

Aspen Plus 11.1 User Guide The User Interface • 1-5

 3 To select a different icon for a model, click the down arrow
next to the model icon to see alternate icons. The icon you
select will appear for that model in the Model Library.
4 When you have selected a model, click location in the
flowsheet where you want to place the model.
When you place blocks this way, you are in Insert mode. Each
time you click in the Process Flowsheet window, you place a
block of the model type that you specified. To exit Insert mode
and return to Select mode, click the Mode Select Button on the
upper left of the Model Library.

Tip: You can also place blocks in your flowsheet by dragging and
dropping from the Model Library to the Process Flowsheet
window.

Selecting the Stream To select the stream type:

Type from the Model 1 Click the down arrow next to the stream type displayed in the
Library Model Library.

2 Select the stream type you want to place in the flowsheet.

3 Once a stream type is selected, simply click the ports on the
flowsheet where you want to connect the stream.
When placing blocks and streams, the mouse pointer changes to
the crosshair shape, indicating Insert Mode. After placing each
block or stream, you remain in Insert Mode until you click the
Select Mode button in the upper right corner of the Model Library.
For more information on what the mouse pointers mean, see
Mouse Pointer Shapes.

Tip: You can undock the Model Library and use it as a floating
palette.

For more details and examples for setting up a flowsheet, see

Getting Started Building and Running a Process Model.

1-6 • The User Interface Aspen Plus 11.1 User Guide

 The Data Browser
The Data Browser is a sheet and form viewer with a hierarchical
tree view of the available simulation input, results, and objects that
have been defined.
To open the Data Browser:
• Click the Data Browser button on the Data Browser
toolbar.
– or –
• From the Data menu, click Data Browser.
The Data Browser also appears when you open any form.
Use the Data Browser to:
• Display forms and sheets and manipulate objects
• View multiple forms and sheets without returning to the Data
menu, for example, when checking Properties Parameters input
• Edit the sheets that define the input for the flowsheet
simulation
• Check the status and contents of a run
• See what results are available

Aspen Plus 11.1 User Guide The User Interface • 1-7

 The Parts of the Data The parts of the Data Browser window are:
Browser Window Part Description
Form Displays sheets where you can enter data or view
results
Menu Tree Hierarchical tree of folders and forms
Status Bar Displays status information about the current block,
stream or other object
Prompt Area Provides information to help you make choices or
perform tasks
Go to a Different Enables you to select a folder or form to display.
Folder
Up One Level Takes you up one level in the Menu Tree
Folder List Displays or hides the Menu Tree
Units Shows units of measure used for the active form
Go Back button Takes you to the previously viewed form
Go Forward button Takes you to the form where you last chose the Go
Back Button
Input/Results View Allows you to view folders and forms for Input
Menu only, Results only, or All
Previous Sheet Takes you to the previous input or result sheet for
button this object
Next Sheet button Takes you to the next input or result sheet for this
object
Comments button Allows you to enter comments for a particular block,
stream, or other object
Status button Displays any messages generated during the last run
related to a particular form
Next button Invokes the Aspen Plus expert system. Guides you
through the steps required to complete your
simulation.

Displaying Forms and Use the Data Browser to view and edit the forms and sheets that
Sheets in the Data define the input and display the results for the flowsheet
Browser simulation. When you have a form displayed, you can view any
sheet on the form by clicking on the tab for that sheet.
There are several ways to display forms. You can display a form in
a new Data Browser by using:
• The Data menu
• Block or stream popup menus
• The Check Results button on the Control Panel, the Check
Results command from the Run menu, or the Check Results
button on the Simulation Run toolbar

1-8 • The User Interface Aspen Plus 11.1 User Guide

 • The Setup, Components, Properties, Streams, or Blocks buttons
on the Data Browser toolbar
• The Next button on the Data Browser toolbar
• The Data Browser button on the Data Browser toolbar
You can move to a new form within the same data browser by
using the:
• Menu tree
• Object Managers
• Next button on the Data Browser
• Previous Form and Next Form buttons (<<, >>)
• Go Back and Go Forward buttons (Ä, Å)
• Select View menu
• Up One Level button

Status Indicators Status indicators display the completion status for the entire
simulation as well as for individual forms and sheets.
The status indicators appear:
• Next to sheet names on the tabs of a form
• As symbols representing forms in the Data Browser menu tree

Aspen Plus 11.1 User Guide The User Interface • 1-9

 This table shows the meaning of the symbols that appear:
This Symbol On an Means
Input form Required input complete
Input form Required input incomplete
Input form No data entered
Mixed form Input and Results
Results form No results present (calculations
have not been run)
Results form Results available without Errors or
Warnings (OK)
Results form Results available with Warnings
Results form Results available with Errors
Results form Results inconsistent with current
input (input changed)
Input folder No data entered
Input folder Required input incomplete
Input folder Required input complete
Results folder No results present
Results folder Results available – OK
Results folder Results available with Warnings
Results folder Results available with Errors
Results folder Results inconsistent with current
input (input changed)
Beside folder or form EO input or results OK
Beside folder or form EO input or results with Errors
A form is a collection of sheets.
Using Next
Click the Next button to move to the next input form or menu
at any point in Aspen Plus.
Use Next to:
• Guide you through the required and optional input for a run by
displaying messages
• Tell you what you need to do next
• Ensure you do not make incomplete or inconsistent
specifications, even when you change options and
specifications you have already entered

1-10 • The User Interface Aspen Plus 11.1 User Guide

 This table shows what happens if you click Next:
If Using Next
The sheet you are on is Displays a message listing the input you must
incomplete provide to complete the sheet
The sheet you are on is Takes you to next required input sheet for the
complete current object
You have selected an Takes you to next object or the next step in
object that is complete making a run
You have selected an Takes you to the next sheet you must
object that is incomplete complete
Using the Previous You can browse through sheets and forms sequentially by using
and Next Sheet the Previous Sheet and Next Sheet buttons on the Data Browser
Buttons toolbar. These buttons take you through input sheets, results sheets,
or both, depending on the current selection of the Input/Results
View menu button in the Data Browser toolbar.

To view the next sheet in a series, click the Next Sheet button .

To view the previous sheet, click the Previous Sheet button .

Using the Go Back You can trace through previously viewed forms using the Go Back
and Go Forward
button . The Go Back button can be clicked many times to
Buttons
continue through a reverse sequence of the forms you have viewed.

When you have gone back once, the Go Forward button is

enabled, so you can return to the form that you were on.

Aspen Plus 11.1 User Guide The User Interface • 1-11

 Using the Object Manager
Every block, stream, and other simulation object has a unique ID.
When you select a folder in the Data Browser tree which contains
several simulation objects, an Object Manager form appears in the
form area of the Data Browser.

Use the Object Manager buttons to perform the following

functions:
Button Description
New Create a new object. You will be prompted for the ID for
the object.
The forms for the object will display.
Edit Display the forms for the object
Delete Delete the object
Clear Delete the data for an object. The object still exists.
Rename Rename the object
Hide Temporarily remove an object from the simulation,
without deleting it.
Reveal Put a hidden object back into the simulation
Not all functions are available for all objects.

1-12 • The User Interface Aspen Plus 11.1 User Guide

 You can delete the following from a simulation:
Deleting Objects and
Clearing Forms • A component, from the Components Specification Selection
sheet
• Blocks and streams, from the flowsheet
• Other input, such as a design specification, using the Data
Browser or an Object Manager
When you delete input, all references to the deleted object (even on
other forms) are automatically deleted. If this results in an
inconsistent or incomplete specification, the Expert System marks
the affected forms as incomplete, and the Next function takes you
to any incomplete sheets.
You cannot delete:
• Sheets that do not represent objects, such as the Setup forms
• Properties Parameters (Binary or Pair) and Molecular Structure
objects
However, you can clear these sheets of all existing input and
restore their default values. To do this, click Clear from an Object
Manager.

Using the Expert System When You

Make Changes
The Aspen Plus Expert System (the Next function):
• Tells you when your specifications are inconsistent or
incomplete
• Guides you through reconciling changes
If the field where you want to enter data is inactive, the Prompt for
the field tells you why. To make the field active, delete any
conflicting entries or options.
If you change an option or specification that makes other entries
inconsistent, Aspen Plus displays a dialog box asking if you want
to temporarily override the error.
Click Yes if you want to continue without correcting the
inconsistency error. Then go to the affected fields and make them
consistent with the new specification.
The affected forms are marked incomplete until you reconcile the
specifications. The Expert System guides you to incomplete sheets.

Aspen Plus 11.1 User Guide The User Interface • 1-13

 Using Shortcut Keys
The following lists describe the available shortcut keys:
General Shortcut This table shows general shortcut keys:
Keys Item Shortcut Key
Close active window ALT+F4
Copy CTRL+C
Context Help F1
Cut CTRL+X
Display popup menu SHIFT+F10
Display next MDI-child CTRL+F6
window
Paste CTRL+V
Print CTRL+P
Redo CTRL+Y
Save CTRL+S
Select All CTRL+A
Switch to next window ALT+F6
What’s This Help SHIFT+F1
Shortcut Keys for This table shows the shortcut keys for working with blocks and
Working with Blocks streams:
and Streams Item Shortcut Key
Align Blocks CTRL+B
Center View CTRL+HOME
Change Section CTRL+F11
Change Stream Class CTRL+Q
Delete Blocks or Streams DEL
Exchange Icon CTRL+K
Hide Annotation CTRL+L
Hide Global Data CTRL+G
Hide ID CTRL+H
Input CTRL+I
Rename Block or Stream CTRL+M
Reroute Streams CTRL+J
Results CTRL+R
Stream Results CTRL+D
Unplace Block or Group CTRL+U

1-14 • The User Interface Aspen Plus 11.1 User Guide

 This table shows the shortcut keys for editing:
Shortcut Keys for
Editing Item Shortcut Key
Copy CTRL+C
Delete DEL
Paste CTRL+V
Rename CTRL+M
Select All CTRL+A
Shortcut Keys for This table shows the shortcut keys for working with files:
Working with Files Item Shortcut Key
Export CTRL+E
Import CTRL+T
New CTRL+N
Open CTRL+O
Print CTRL+P
Save CTRL+S
Shortcut Keys for This table shows the shortcut keys for working with flowsheets:
Working with Item Shortcut Key
Flowsheets
Align Blocks CTRL+B
Change Section CTRL+F11
Change Stream Class CTRL+Q
Exchange Icons CTRL+K
Flowsheet Sections F11
Hide Annotation CTRL+L
Hide Global Data CTRL+G
Hide ID CTRL+H
Reroute Streams CTRL+J
Unplace Blocks CTRL+U
Shortcut Keys for This table shows the shortcut keys for help:
Help Item Shortcut Key
Context Help F1
Display popup menu SHIFT+F10
What’s This Help SHIFT+F1

Aspen Plus 11.1 User Guide The User Interface • 1-15

 This table shows the shortcut keys for plotting:
Shortcut Keys for
Plotting Item Shortcut Key
Display Plot CTRL+ALT+P
Parametric Variable CTRL+ALT+Z
Plot Wizard CTRL+ALT+W
X-Axis Variable CTRL+ALT+X
Y-Axis Variable CTRL+ALT+Y
Shortcut Keys for This table shows the shortcut keys for working with regions:
Working with Regions Item Shortcut Key
Bookmarks F3
Center View CTRL+HOME
Page Break Preview F2
Pan CTRL+F3
Print CTRL+P
Reset Page Breaks SHIFT+F2
Select All CTRL+A
Zoom Full CTRL+END
Zoom In CTRL+UP ARROW
Zoom Out CTRL+DOWN ARROW
Shortcut Keys for This table shows the shortcut keys that you can use when running
Running Simulations simulations:
Item Shortcut Key
Check Results CTRL+F8
Connect to Engine SHIFT+F7
Move To CTRL+F9
Reinitialize SHIFT+F5
Run F5
Settings CTRL+F7
Step CTRL+F5
Stop Points F9

1-16 • The User Interface Aspen Plus 11.1 User Guide

 Shortcut Keys for This table shows the shortcut keys that you can use for viewing:
Viewing Item Shortcut Key
Annotation CTRL+ALT+L
Bookmarks F3
Center View CTRL+HOME
Control Panel F6
Current Section Only SHIFT+F11
Global Data CTRL+ALT+G
History CTRL+ALT+H
Input Summary CTRL+ALT+I
OLE Objects CTRL+ALT+F
Model Library F10
Page Break Preview F2
Pan CTRL+F3
PFD Mode F12
Redraw CTRL+W
Refresh PFD SHIFT+F12
Report CTRL+ALT+R
Reset Page Breaks SHIFT+F2
Zoom Full CTRL+END
Zoom In CTRL+UP ARROW
Zoom Out CTRL+DOWN ARROW

Supplying Comments
You can write notes or keep track of information by entering
comments for particular forms. Each object has just one Comments
form which you can access from any input or results form for the
object.
To enter comments on a form:
1 Click the Comments button on the Data Browser toolbar.
If there are no existing comments, the button looks like this:
.
If there are existing comments, the button looks like this:
2 Enter your one line description in the Description box of the
Comments form.
The description is printed in the Aspen Plus report.
3 Enter your comments in the Comments area of the Comments
form.
4 OK to close the Comments form.

Aspen Plus 11.1 User Guide The User Interface • 1-17

1-18 • The User Interface Aspen Plus 11.1 User Guide
 CHAPTER 2

Creating a Simulation Model

Overview
For help on creating a simulation model, see one of the following
topics:
• Process Simulation Using Aspen Plus
• Creating a new run
• Selecting a Template
• Selecting a Run Type
• Completing the input specifications for a run
• About the templates
• The Aspen Plus online applications library

Process Simulation Using Aspen

Plus
Process simulation with Aspen Plus allows you to predict the
behavior of a process using basic engineering relationships such as
mass and energy balances, phase and chemical equilibrium, and
reaction kinetics. Given reliable thermodynamic data, realistic
operating conditions, and the rigorous Aspen Plus equipment
models, you can simulate actual plant behavior. Aspen Plus can
help you design better plants and increase profitability in existing
plants.
With Aspen Plus you can interactively change specifications, such
as flowsheet configuration, operating conditions, and feed
compositions, to run new cases and analyze alternatives. To
analyze your results, you can generate plots, reports, PFD-style
drawings, and spreadsheet files.

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-1

 Aspen Plus allows you to perform a wide range of additional tasks.
You can:
• Perform sensitivity analyses and case studies
• Generate custom graphical and tabular output
• Estimate and regress physical properties
• Fit simulation models to plant data
• Optimize your process
• Interface results to spreadsheets
• Share input and results among other Windows applications
using OLE
Aspen Plus contains data, properties, unit operation models,
built-in defaults, reports, and other features and capabilities
developed for specific industrial applications, such as petroleum
simulation. For more information about industry-specific defaults
and features, see Selecting a Template.

Creating a New Run

Follow these instructions to either:
• Start Aspen Plus and create a new run
• Create a new run when you are already in Aspen Plus
Starting Aspen Plus To start Aspen Plus and create a new run:
and Creating a New 1 Start Aspen Plus from the Start Menu or by double-clicking the
Run Aspen Plus icon on your desktop.
2 On the Aspen Plus Startup dialog box, click the appropriate
button to create a new simulation using a Blank Simulation or a
Template, then click OK.
3 If you choose a blank simulation, the Aspen Plus main window
opens and you can begin building your new model.
4 If you choose a Template, follow the steps below.
5 In the New dialog box, select the type of simulation template
and the units you wish to use, from the list. For more
information on choosing a Template, see Selecting a
Template.
6 Choose the desired Run Type in the Run Type list box. For
more information, see Selecting a Run Type.
7 Click OK.
8 If the Connect to Engine dialog box appears, specify where the
Aspen Plus engine will execute.

2-2 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 To create a new run if you are already in Aspen Plus:
Creating a New Run
in Aspen Plus 1 Save the current run if you want to open it later.
2 From the File menu, click New.
3 A dialog box appears, asking if you want to close the current
run before opening a new run. Click Yes, No, or Cancel:
If you This happens
choose
Yes The current run will be closed, and the new run will open in
the existing Aspen Plus window.
You will be given the option to save the current run before
the new run opens.
No The current run will remain active in the existing window,
and a new run will open in a second Aspen Plus window.
Cancel You will be returned to the current run.
4 In the New dialog box, select the type of simulation Template
and the units you wish to use, from the list. For more
information on choosing a Template, see Selecting a
Template.
5 Choose the desired Run Type in the Run Type list box. For
more information on Run Types, see Selecting a Run Type.
6 Click OK.

Selecting a Template
When starting a new simulation, you can start with a blank
simulation or you can begin with a Template. Templates set
defaults commonly used by specific industries for:
• Units of measurement
• Stream composition information and properties to report
• Stream report format
• Default setting for Free-Water option
• Property method
• Other application-specific defaults
For information about creating your own templates, Customizing
Application Template Files.
About the Built-In There are built-in Templates for the following applications:
Templates • Air Separation
• Chemicals
• Electrolytes
• Gas Processing

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-3

 • General
• Hydrometallurgy
• Petroleum
• Pharmaceuticals
• Pyrometallurgy
• Solids
• Specialty Chemicals
For each Template, you can select either metric or English units of
measurement as a default units set. Other units sets are also
available.

Selecting a Run Type

When creating a new run, you must select a Run Type from the
Run Type list box on the New dialog box.
Use the Flowsheet run type for flowsheet simulations (including
sensitivity studies and optimization). Flowsheet runs can also
include the following calculations integrated with a flowsheet
simulation:
• Property constant estimation
• Assay data analysis/pseudocomponents generation
• Property analysis

2-4 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 Other run types are used to run Aspen Plus without performing a
flowsheet simulation:
Run Type Description Use to
Assay Data A standalone assay Analyze assay data when you do
Analysis data analysis/ not want to perform a flowsheet
pseudocomponents simulation in the same run.
generation run
Data A standalone data Fit physical property model
Regression regression run. Can parameters required by
contain property Aspen Plus to measured pure
constant estimation component, VLE, LLE and other
and property analysis mixture data. Aspen Plus cannot
calculations. perform data regression in a
Flowsheet run.
Properties Plus A Properties Plus Prepare a property package for
setup run use with Aspen Custom Modeler
or Aspen Pinch, with third-party
commercial engineering
programs, or with your company’s
in-house programs.
You must be licensed to use
Properties Plus.
Property A standalone property Perform property analysis by
Analysis analysis run. Can generating tables of physical
contain property property values when you do not
constant estimation want to perform a flowsheet
and assay data simulation in the same run
analysis calculations.
Property A standalone property Estimate property parameters
Estimation constant estimation when you do not want to perform
run a flowsheet simulation in the
same run.

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-5

 Completing Input Specifications for a
Run
For Flowsheet runs, follow these basic steps to complete the
required and optional input specifications:
1 Define the simulation flowsheet (blocks, streams, and
connectivity) in the Process Flowsheet window.
2 Enter required input specifications on the following forms in
the Data Browser:
Forms Specify
Setup Global simulation options
Components Conventional chemical components,
petroleum assays, and pseudocomponents
in the simulation
Physical Properties Methods and data to use for calculating
physical properties
Streams Feed stream compositions, flows, and
conditions
Blocks Design and operating conditions for each
unit operation block in the flowsheet
3 Provide additional specifications if needed by opening the Data
Browser and using the Reactions, Convergence, Flowsheeting
Options, Model Analysis Tools and Setup ReportOptions
forms.

Tip: Although you can enter most specifications in any order, it is

best to use Next and let the Aspen Plus Expert System guide you.

2-6 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 Completion Status for The completion status for the overall flowsheet appears in the
the Flowsheet status bar. When completing specifications for a run, you see the
following status messages:
This status Means You can
message
Flowsheet Not The simulation Use Next on the Data Browser
Complete flowsheet has not been toolbar to find out why
defined or the flowsheet connectivity is incomplete.
connectivity is
incomplete.
Required Input Input specifications for Use Next from the main
Incomplete the run are incomplete. window or Data Browser
toolbars to find out what you
must specify to complete the
input specifications and to go to
forms that are incomplete.
Required Input Required input Run the simulation or enter
Complete specifications for the optional specifications.
run are complete.
The completion status for the active form or menu appears in the
status bar of the Data Browser. When completing specifications for
a new run, you see the following status messages:
Completion Status on This status Means You can
message
Forms
Required Input Input specifications for Use Next from the Data
Incomplete the form or object are Browser toolbar to find out
incomplete. what you must specify to
complete the input
specifications.
Input Complete Required input Enter specifications for other
specifications for the forms or run the simulation.
form or object are
complete.
Completion Status In the Data Browser menu tree, symbols indicate the input
Indicators in the Data completion status.
Browser Menu Tree

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-7

 Completion Status On forms, the completion status for each individual sheet is
Indicators on Sheets displayed on the sheet tab:
Symbol Means
Input specifications for the sheet are incomplete.
Click the tab of the incomplete sheet
and complete the input
– or –
Use Next
Input specifications for the sheet are complete.
The required input has been entered by the user.
(blank) Input for this sheet is optional.

Completion Status for When you are on an Object Manager for a block or other object,
Objects the completion status for each object appears in the Status column.
Status Means You can
message
Input Input specifications for Use Next from the Data
Incomplete the object are Browser toolbar
incomplete. to go to an incomplete form, or
select an incomplete object
from the
Object Manager, and click Edit.
Input Complete Required input Use Next from the Data
specifications for the Browser toolbar
object are complete. to go to the next step, or enter
optional specifications by
selecting an object
from the Object Manager and
clicking Edit.
Results Present Results are present View results, make input
changes,
and re-run the simulation
Input Changed Results are present, the View results, make further input
input specifications changes,
have been changed and and re-run the simulation
the input is complete.

2-8 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 About the Templates
There are built-in Templates for the following applications:
• Air Separation
• Chemicals
• Electrolytes
• Gas Processing
• General
• Hydrometallurgy
• Petroleum
• Pharmaceuticals
• Pyrometallurgy
• Solids
• Specialty Chemicals
About the General Use the General Template for a wide range of vapor-liquid
Template applications. The General Template defines the following units
sets. These units sets are also available in all other Templates.
Unit-Set Temp Pres Mass Mole Enthalpy Volume
Flow Flow Flow Flow
ENG† F psi lb/hr lbmol/hr Btu/hr cuft/hr
MET K atm kg/hr kmol/hr cal/sec l/min
METCBAR†† C bar kg/hr kmol/hr MMkcal/hr cum/hr
METCKGGM C kg/sqcm kg/hr kmol/hr MMkcal/hr cum/hr
SI K n/sqm kg/sec kmol/sec watt cum/sec
SI-CBAR C bar kg/hr kmol/hr watt cum/hr
† Default English units set for General Template
†† Default metric units set for General Template
General Template The General Template sets the following defaults.
Defaults
Specification Default
Physical property method None
Flow-basis for input Mole
Stream report composition Mole flow
Stream report format General purpose with enthalpy and
density on a mass basis.
Entropy is not reported.
Stream class Conventional.
Appropriate for systems containing
vapor, liquid, and salts.

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-9

 General Template The General Template defines the following property sets. These
Property Sets property sets are also available in many of the other Templates.
Property Description
Set
HXDESIGN Thermal and transport properties in SI units needed by
heat exchanger design programs and Aspen Pinch,
including:
Mass vapor fraction
Mass flow rate for total, vapor, and liquid phases
Mass enthalpy for total, vapor, and liquid phases
Mass density for total, vapor, and liquid phases
Mass heat capacity for total, vapor, and liquid phases
Pseudo-critical pressure for total, vapor, and liquid phases:
Viscosity for vapor and liquid phases
Thermal conductivity for vapor and liquid phases
Average molecular weight for total, vapor, and liquid
phases
THERMAL Thermal properties, including:
Vapor and liquid phase enthalpy
Vapor and liquid phase heat capacity
Vapor and liquid phase thermal conductivity
TXPORT Transport properties, including:
Vapor and liquid phase mass density
Vapor and liquid phase viscosity
Liquid phase surface tension
VLE Vapor-liquid equilibrium component information,
including:
Component fugacity coefficient in vapor and liquid phases
Component activity coefficient in liquid phase
Pure component vapor pressure
VLLE Vapor-liquid-liquid equilibrium component information,
including:
Component fugacity coefficient in each phase
Component activity coefficient in each liquid phase
Pure component vapor pressure
About the Petroleum The Petroleum Template defines defaults commonly used in the
Template petroleum industry. It is also appropriate for petrochemical
applications such as ethylene plants, which involve petroleum
fractions as feedstocks.

2-10 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 This table shows the defaults used:
Specification English Default Metric Default
Units F, psi, lb/hr, lbmol/hr, C, bar, kg/hr, kmol/hr,
MMBtu/hr, bbl/day MMkcal/hr, bbl/day
Physical property None None
method
Free water Yes Yes
Flow basis Standard liquid volume Mass
Stream report Standard liquid volume Mass flow
composition flow
Because petroleum applications encompass a wide range of boiling
fractions/ components and process conditions, this Template does
not have a default physical property method. These methods are
used most frequently:
• BK10
• CHAO-SEA
• GRAYSON
• RK-SOAVE
• PENG-ROB
• IDEAL
You should consider additional methods for various operations
within a refinery (such as ELECNRTL for sour water strippers and
amine treatment units, and UNIFAC for aromatic extraction).
Aspen Plus provides comprehensive methods for analyzing assay
data and automatically generating pseudocomponents. You can
select from five built-in pseudocomponent property methods to
characterize pseudocomponents. You can also enter curves of
petroleum properties, such as sulfur and metal contents.
Aspen Plus tracks these properties throughout the flowsheet. You
can use them in design specifications, optimization constraints, and
objective functions.
The Aspen Plus PetroFrac model simulates a wide range of
fractionation units within a refinery. PetroFrac can model a tower
with any number of:
• Side strippers, including the bottom liquid return to the main
tower
• Pumparounds and bypasses
• Partial and total drawoffs
PetroFrac can model the feed furnace as an integral part of the
tower, including the slop cut recycle for a vacuum unit. It lets you

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-11

 enter petroleum-specific property specifications, such as ASTM
distillation temperatures, gaps, and overlaps. It also offers
extensive column sizing and rating capabilities, including the
ability to handle structured packings and integrated pressure drop
calculations. .
Petroleum Property Sets In Aspen Plus, many properties can be used to characterize streams
in a refinery.
The Petroleum Template includes property sets for many widely
used petroleum-related properties.
Property Set Description
CUTS-E Standard liquid volume flow of petroleum cuts at 100º F intervals.
Valuable for concise reporting of stream composition.
CUTS-M Mass flow rate of petroleum cuts at 50º C intervals. Valuable for concise
reporting of stream composition.
D86-5 ASTM D86 temperature at 5 liquid volume %
D86-95 ASTM D86 temperature at 95 liquid volume %
GASPROPS Vapor phase properties, including:
Compressibility factor for a mixture
Actual volume flow
Standard vapor volume flow
Heat capacity ratio (CP/CV)
KINVISC Kinematic viscosity at 100°F and 212°F or 40°C and 100°C (dry basis)
LIGHT Petroleum characteristics for light distillates (dry basis), including:
Reid vapor pressure
Flash point based on API method
Aniline point
MIDDLE Petroleum characteristics for middle distillates (dry basis), including:
Cetane number
Flash point based on API method
Pour point based on API method
Aniline point
PETRO † General petroleum properties on dry basis, including:
Standard liquid volume flow (bbl/day) and (bbl/hr)
Standard API gravity
Standard specific gravity
Watson UOP K-factor
True boiling point distillation curve
ASTM D86 and D1160 distillation curves
TBP-5 True boiling point temperature at 5 liquid volume %
TBP-95 True boiling point temperature at 95 liquid volume %
† Default for stream results

2-12 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 Petroleum Stream Report The large number of pseudocomponents and distillation curves in a
Options petroleum application can result in a lengthy stream report.
The Petroleum Template defines several stream report format
(TFF) options so you can view or print subsets of stream
information:
TFF Displays
PETRO-E State variables, stream flows, properties,
distillation curves, component flows. Standard
volume flows of the 100°F petroleum cuts if
CUTS-E property set was selected
PETRO-M State variables, stream flows, properties,
distillation curves, component flows. Mass flows
of the 50°C petroleum cuts if CUTS-M property
set was selected
PET-COMP Only component flow and total flow results
PET-CURVE Only distillation curve stream results
PET-PROP Only state variables, stream flows, properties, and
flows of petroleum cuts
About the Gas The Gas Processing Template defines defaults commonly used in
Processing Template the gas processing industry. For example, stream flows are
standard vapor volume flows in millions of standard cubic feet per
day or millions of standard cubic meters per hour.
The gas processing defaults are:
Specification Default
English units F, psi, lb/hr, MMscfd, MMbtu/hr, MMcuft/hr
Metric units C, bar, tonne/hr, MMscmh, MMkcal/hr, cum/hr
Physical property Peng-Robinson
method
Flow basis Mole with MMscfd or MMscmh
Stream report Mole flow with MMscfd or MMscmh
compositions
Peng-Robinson is the default method for calculating physical
properties. For many gas processing applications, such as gas
sweetening, gas dehydration, and the Claus process, you may want
to select other physical property methods. For example, you may
want to use the ELECNRTL method together with the special
amines data package for gas sweetening.
MMscfd is millions of standard cubic feet per day.
MMscmh is millions of standard cubic meters per hour.

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-13

 Gas Processing Property This Template also provides property sets commonly needed in gas
Sets processing applications:
Property Set Description
CRITICAL Pseudo critical properties, including:
Pseudo critical temperature
Pseudo critical pressure
Pseudo critical volume
GASPROPS General gas properties, including:
Compressibility factor
Actual volume flow
Standard vapor volume (MMscfd or MMscmh)
Heat Capacity Ratio (CP/CV) for mixture
TDEW Dew point temperature
About the Air Use the Air Separation Template for cryogenic air separation
Separation Template simulations. The defaults are:
Specification Default
English units F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr
Metric units C, bar, kg/hr, kmol/hr, watt, cum/hr
Physical property Peng-Robinson
method
Components included O2, N2, AR
Flow basis Mole
Stream report Mole flow and mole fraction
composition
These Aspen Plus unit operation models are used extensively in air
separation simulations:
Model Description
RadFrac Rigorous distillation
MultiFrac Multiple column simulation
HeatX Rigorous heat exchange
MHeatX Cold box heat exchange
The MultiFrac model is especially useful for modeling the double-
and triple-column systems typically found in air plants. MultiFrac
solves these interlinked column systems as a single unit, without
recycle flow estimates.
Air plants are highly heat-integrated. You can specify heat streams
to model the complex heat integration between units.

2-14 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 Air Separation Property The air separation property sets are:
Sets Property Set Description
CRITICAL Pseudo critical properties, including:
Pseudo critical temperature
Pseudo critical pressure
Pseudo critical volume
GASPROPS General gas properties, including:
Compressibility factor
Actual volume flow
Standard vapor volume (MMscfd or MMscmh)
Heat Capacity Ratio (CP/CV) for mixture
TBUBBLE Bubble point temperature
TDEW Dew point temperature
About the Chemicals The Chemicals Template is suitable for a wide range of chemical
Template (non-electrolyte) applications. It is also appropriate for
petrochemical applications, such as MTBE production and VCM
plants, where feedstocks are defined in terms of chemical
components.
The defaults are:
Specification Default
English units F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr
Metric units C, bar, kg/hr, kmol/hr, MMkcal/hr, cum/hr
Physical property method NRTL
Flow basis Mole
Stream report composition Mole flow
The default base property method is NRTL, which has wide
application for low-pressure ideal and non-ideal chemical systems.
Aspen Plus has several additional activity coefficient models and
equations of state for modeling chemical systems. For example, for
systems containing organic acids, use NRTL-HOC, WILS-HOC,
or UNIQ-HOC methods. For chemical systems at high pressures,
use an equation-of-state method, such as RK-ASPEN, SR-POLAR,
PRWS, PRMHV2, or PSRK.
Each activity coefficient and equation-of-state model has a large
databank of binary interaction parameters suitable for modeling
chemical systems. Aspen Plus automatically retrieves and displays
these binary parameters. If the database does not have binary
parameters for a component pair, Aspen Plus can estimate the
missing binary parameters for your application .
If you have measured data for your chemical system you can use
Aspen Plus to regress model parameters. Aspen Plus has

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-15

 interactive tools for analyzing the properties and vapor-liquid
equilibrium of chemical systems.
The built-in property sets are the same as in the General Template.
About the The Electrolytes Template is used for applications that require
Electrolytes Template rigorous modeling of electrolyte species. You can use this
Template in any application where electrolytes are important.
The defaults are:
Specification Default
English units F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr
Metric units C, bar, kg/hr, kmol/hr, MMkcal/hr, cum/hr
Physical property method ELECNRTL
Components included H2O
Flow basis Mass
Stream report composition Mass flow
Stream report format Displays all electrolyte properties that are
requested in property sets
The ELECNRTL property method model is recommended for
rigorously modeling electrolyte systems.
Aspen Plus has a large built-in databank of electrolyte reactions
and interaction parameters for many electrolyte systems. The
Aspen Plus Electrolytes Wizard generates electrolytes chemistry
automatically and interactively, so you can control the species and
reactions to include in your [Link] Aspen Plus Getting
Started Modeling Processes with Electrolytes for instructions on
how to build an electrolytes application.
Electrolytes Property The built-in property sets are:
Sets
Property Set Property Description
FAPP Apparent component mole flow
FTRUE True component mole flow
LVOLFLOW Liquid volumetric flow
MASSCONC Mass concentration
MOLECONC Mole concentration
PH pH at current temperature
SOLINDEX Solubility index
TBUBBLE Bubble point temperature
VMOLFLOW Component mole flows in vapor phase
VMOLFRAC Component mole fractions in vapor phase
WXAPP Apparent component mass fraction
WAPP Apparent component mass flow
XTRUE True component mole fraction

2-16 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 About the Specialty The Specialty Chemicals Template is for specialty chemical
Chemicals Template applications, with or without electrolytes. You can view stream
results on a:
• Concentration basis
• Per batch basis, if you select the Batch-Operations report
option
The defaults for this Template are:
Specification Default
English units F, psi, lb/hr, lbmol/hr, Btu/hr, gal/hr
Metric units C, bar, kg/hr, kmol/hr, kcal/hr, l/hr
Physical property NRTL
method
Flow basis Mass
Stream report Mass flow
composition
Stream report format Displays standard properties, plus
concentration and batch stream report, if
requested. Electrolyte properties are also
displayed if an electrolyte method and
electrolyte property set are selected.
Aspen Plus has two batch unit operation models that are especially
useful for specialty chemicals applications:
• RBatch, a batch reactor
• BatchFrac, for batch distillation
The default base property method is NRTL, which has wide
application for low-pressure ideal and non-ideal chemical systems.
Aspen Plus has additional activity coefficient models and
equations of state for modeling chemical systems.
Each activity coefficient model has a large databank of binary
interaction parameters suitable for modeling chemical systems.
Aspen Plus automatically retrieves and displays these binary
parameters. If the database does not have binary parameters for a
component pair, Aspen Plus can estimate the missing binary
parameters for your application.
If you have measured data for your chemical system, you can use
Aspen Plus to regress model parameters. Aspen Plus has
interactive tools for analyzing the properties and vapor-liquid
equilibrium of chemical systems.
If your process involves electrolytes, use the Electrolytes Wizard
to define the reactions and ionic species. The NRTL method will
be replaced by ELECNRTL, and the electrolytes database will be
used.

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-17

 The built-in property sets are the same as for the Electrolytes
Template.
About the The Pharmaceuticals Template uses NRTL as the default base
Pharmaceuticals property method. You can use this method for two-liquid-phase
Template systems, or vapor and liquid systems at low pressure. This
Template reports stream composition on a mass concentration and
mass flow basis. You can also view the vapor-liquid-liquid
equilibrium for any stream and examine results on a per batch
basis, if you select the Batch-Operations report option.
The defaults for this Template are:
Specification Default
English units F, psi, lb/hr, lbmol/hr, Btu/hr, gal/hr
Metric units C, bar, kg/hr, kmol/hr, kcal/hr, l/hr
Physical property method NRTL
Flow basis Mass
Stream report composition Mass flow and mass concentration
Stream report format Displays standard properties, plus batch stream
report if requested
Aspen Plus has two batch unit operation models that are especially
useful for pharmaceutical applications:
• RBatch, a batch reactor
• BatchFrac, for batch distillation
The built-in property sets are:
Property Set Description
LVOLFLOW Liquid volumetric flow
MASSCONC † Mass concentration
MOLECONC Mole concentration
VMOLFLOW Component mole flows in vapor phase
VMOLFRAC Component mole fractions in vapor phase
† Default for stream report

2-18 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 Use the Hydrometallurgy Template to model electrolytes and
About the
solids in hydrometallurgical processes.
Hydrometallurgy
Template The defaults for this Template are:
Specification Default
English units F, psi, lb/hr, lbmol/hr, Btu/HR, cuft/hr
Metric units C, bar, kg/hr, kmol/hr, MMkcal/HR, cum/hr
Physical property ELECNRTL
method
Component included H2O
Flow basis Mass
Stream class MIXCISLD, for modeling hydrometallurgy
systems with vapor, liquid, electrolytes, salts, and
inert molecular solids.
Stream report Not displayed with default stream report format
composition
Stream report format Displays all substreams together
The ELECNRTL property method is recommended for rigorously
modeling the electrolyte systems present in hydrometallurgy
processes.
Aspen Plus has a large built-in databank of electrolyte reactions
and interaction parameters for many electrolyte systems. The
Aspen Plus Electrolytes Wizard generates electrolytes chemistry
automatically and interactively, so you can control the species and
reactions to include in your simulation. See Aspen Plus Getting
Started Modeling Processes with Electrolytes for instructions on
how to build an electrolytes application.
Property Sets for The built-in property sets for hydrometallurgical simulations
Hydrometallurgy include all property sets listed for Electrolytes Simulation, plus the
following:
Property Set Description
ALL-SUBS Characteristics for entire stream, including:
Temperature
Pressure
Volumetric flow
Mass vapor fraction
Mass solids fraction
Mass density
Mass flow
This property set is the default for stream report

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-19

 About the Use the Pyrometallurgy Template to model high temperature
Pyrometallurgy metals processing applications. The defaults are:
Template Specification Default
English units F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr
Metric units C, bar, tonne/hr, kmol/hr, MMkcal/hr, cum/hr
Physical property method SOLIDS
Flow basis Mass
Stream class MIXCISLD, for modeling pyrometallurgy
systems with only molecular species. If you
have ores that must be defined as
nonconventional components or if you need to
model particle size distribution, you will need
a different stream class.
Stream report Not displayed with default stream report
composition format
Stream report format Displays all substreams together
Pyrometallurgical processes often involve chemical and phase
equilibrium between multiple liquid phases and a vapor phase.
Aspen Plus uses the RGibbs model to simulate these multiphase
operations. Pyrometallurgical applications often require different
activity coefficient models for different liquid phases in the
system. You can create multiple methods, based on the SOLIDS
method, to use different activity coefficient models. You can then
assign the new method to specified liquid phases.
Pyrometallurgy Property The pyrometallurgy property sets are:
Sets
Property Set Description
ALL-SUBS Characteristics for entire stream, including:
Temperature
Pressure
Volumetric flow
Mass vapor fraction
Mass solids fraction
Mass density
Mass flow
VMOLFLOW Vapor mole flow
VMOLFRAC Vapor component mole fractions
About the Solids Aspen Plus can model solids anywhere in a process flowsheet. A
Template wide range of unit operation models for solids handling equipment
is available, including crystallizers, crushers, screens, and
cyclones. See Aspen Plus Unit Operation Models for more
information on the models. See Getting Started Modeling

2-20 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 Processes with Solids to learn how to model solids processes
step-by-step.
The Solids Template reports the properties and component flows
of all types of components (vapor, liquid, and solid) together. You
can also request Aspen Plus to report:
• Overall stream concentrations
• Vapor fractions
• Solid fractions
If you use attributes in your simulation, substream and component
attributes appear in the default stream report.
The defaults for this Template are:
Specification Default
English units F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr
Metric units C, bar, kg/hr, kmol/hr, MMkcal/hr, cum/hr
Physical property method None, but SOLIDS is recommended
Flow basis Mass
Stream class MIXCISLD, but you will often want to select
a different
stream class based on your application
Stream report composition Not displayed with default stream report
format
Stream report format Displays all substreams together
Solids Property Sets The built-in property sets for solids are:
Property Set Description
ALL-SUBS Characteristics for entire stream, including:
Temperature
Pressure
Volumetric flow
Mass vapor fraction
Mass solids fraction
Mass density
Mass flow
MASSCONC Mass concentration
MOLECONC Mole concentration
VMOLFLOW Component mole flows in vapor phase
VMOLFRAC Component mole fractions in vapor phase

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-21

 Using the Online Applications Library
Aspen Plus includes a library of Application Examples to illustrate
how Aspen Plus is used to solve a range of industrial problems.
These application examples cover a range of process industries,
including gas processing, petroleum refining, petrochemicals,
chemicals, pharmaceuticals, and metals processing. You can
examine the input and results for these applications, see how to use
various Aspen Plus features, and modify and run these applications
to simulate your own processes.
These examples demonstrate the value of many Aspen Plus
features, including residue curves, three-phase reactive distillation,
rigorous heat exchange rating, and extraction with user
liquid-liquid distribution correlations.
Accessing the Online To access the online applications library in Aspen Plus:
Applications Library 1 From the File menu, click Open.
2 In the Open dialog box, click the Favorites button .
3 Click the app directory.
4 To view a description of a file, click the file then click the
Preview button
on the Open dialog box toolbar.
5 Click the file you want to open, then click Open.
6 The input and results are then loaded. You can examine,
modify, and run the simulation.
Examining Descriptions To view a description of a file before opening it:
of Files
• Click the file then click the Preview button (button that is
furthest right) on the Open dialog box toolbar.
To view a description of an open file:
1 From the Data menu, click Setup, then click Specifications.
2 Click the Description sheet.
To examine available comments for blocks and other objects, click
the Comments button from the toolbar of the Data Browser.
If comments are available, the Comments button looks like this:

If there are no comments available, the Comments button looks

like this:

2-22 • Creating a Simulation Model Aspen Plus 11.1 User Guide

 Creating an Equation Oriented
Problem
The Equation Oriented (EO) method is available as a solution
option in Aspen Plus. As always, the flowsheet is configured
through the Aspen Plus Graphical User Interface (GUI). Flowsheet
connectivity is defined through the graphical process flowsheet and
the Data Browser is used to configure the blocks and streams. EO
requires additional input through the Data Browser.
Before you solve your flowsheet in EO, however, you must
initialize it in SM. This does not require a complete solution to
SM; however, a minimum requirement is that each block be
solved once. This provides initial values for the EO variables. How
tightly the SM flowsheet needs to be solved to ensure a robust EO
formulation is problem-dependent.

Aspen Plus 11.1 User Guide Creating a Simulation Model • 2-23

2-24 • Creating a Simulation Model Aspen Plus 11.1 User Guide
 CHAPTER 3

Using Aspen Plus Help

Overview
Aspen Plus has a online Help, prompts and expert system
messages, to give you information as you use the program.
For more information on Help, see one of the following topics:
• Getting online Help
• Using the Back button
• Searching for help on a topic
• Printing help
• Linking to the AspenTech home page
• Contacting Technical Support

Getting Help
There are several ways to get help in Aspen Plus:
If you want help about Do this
A particular topic From the Help Topics dialog box, click the
Index tab.
A form or field On the Aspen Plus toolbar, click the What’s
This button then click the field or form.
A dialog box Click the Help button on the dialog box.
The item the cursor or Press F1.
mouse pointer is on
Keeping Help On Top To keep the Help window on top of any other open windows:
1 In the Help window, click the Options button or menu.
2 Point to Keep Help On Top, and then click On Top.

Aspen Plus 11.1 User Guide Using Aspen Plus Help • 3-1
 Use the Back button to move back through help screens you have
Using the Back
seen. If there is no previous topic to view, the Back button is
Button
unavailable. Back keeps a complete record of all the help topics
you view. This list is cleared each time you exit help.

Searching for Help on a Topic

You can find specific information quickly by searching for it. To
search for a topic or keyword:
1 From the Help menu, click Help Topics, then From the Help
Topics dialog box, click the Index tab.
The Index dialog box appears.
2 Start typing a word or phrase to display a list of index entries
that match what you are looking for.
3 Click Display or double-click on the entry in the list.
Either the topic appears, or a dialog box containing a list of
topics appears.

Displaying Help on Dialog Boxes,

Forms and Sheets
To access online Help that gives you an overview of a dialog box,
form or sheet:
• Click the Help button on the dialog box, form or sheet.
– or –
Press F1 on the dialog box, form or sheet.

Displaying Help on Screen Elements

To access online Help on buttons, fields, commands on menus, and
similar screen elements:
• Click the What's This button on the window toolbar and then
click the element.
– or –
Select the element, then press F1.

or

3-2 • Using Aspen Plus Help Aspen Plus 11.1 User Guide
 Getting Step by Step Help
To get help on preparing, specifying, and running simulations, and
reviewing results:
1 From the Help Topics dialog box, click the Contents tab.
2 Double-click Using Aspen Plus, then click the topic you want.

Getting Reference Information

To obtain reference information:
• From the Help Topics dialog box, click the Contents tab, then
click the appropriate topic.

Getting Printed Information

You can:
• Print help topics
• Obtain printed Aspen Plus documentation
Printing Help To print a help topic:
1 Make sure the printer settings are correct.
To check this, Click Start, then point to Settings then Printers.
2 Display the Help topic you want to print.
3 Click the Print button.
– or –
Click the Options button, then click Print Topic.
– or –
From the File menu, click Print Topic.
Printing Popup Help To print popup help windows:
1 Click with the right mouse button on the Help window.
2 From the popup menu, click Print Topic.
Getting Printed You can print all of the Aspen Plus manuals from the
Documentation Documentation CD supplied with Aspen Plus. The manuals are
available in Adobe portable document format (.pdf).
The Aspen Plus documentation set is listed below:
Aspen Plus Installation Guide for Windows This guide provides
instructions on installation of Aspen Plus.
Aspen Plus Getting Started Building and Running a Process Model
This tutorial includes several hands-on sessions to familiarize you

Aspen Plus 11.1 User Guide Using Aspen Plus Help • 3-3
 with Aspen Plus. The guide takes you step-by-step to learn the full
power and scope of Aspen Plus.
Aspen Plus Getting Started Modeling Processes with Electrolytes
This tutorial includes several hands-on sessions to familiarize you
with simulating electrolyte systems with Aspen Plus.
Aspen Plus Getting Started Modeling Petroleum Processes This
tutorial includes several hands-on sessions to familiarize you with
simulating petroleum processes with Aspen Plus.
Aspen Plus Getting Started Customizing Unit Operation Models
This tutorial includes several hands-on sessions to familiarize you
with the customization of unit operation models with Aspen Plus.
Aspen Plus Reference Manuals The Aspen Plus reference manuals
provide detailed technical reference information. The manuals
include background information about the unit operation models,
available physical properties methods and models, tables of
Aspen Plus databank parameters, equations, and a wide range of
other reference information. The set comprises:
• Unit Operation Models
• User Models
• System Management
• System Administration Guide
• Summary File Toolkit
• Input Language Guide

Linking to Aspen Tech Home Page

For additional information about AspenTech products and services,
check the AspenTech World Wide Web home page on the Internet
at:
[Link]

Contacting Aspen Plus Technical

Support
AspenTech customers with a valid license and software
maintenance agreement can register to access the Online
Technical Support Center at [Link]
This web support site allows you to:
• Access current product documentation

3-4 • Using Aspen Plus Help Aspen Plus 11.1 User Guide
 • Search for tech tips, solutions and frequently asked questions
(FAQs)
• Search for and download application examples
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• Technical advisories
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The most up-to-date contact information for your nearest support
office is also available on AspenTech’s web page at
[Link]
For information current when this product was released, see below
for your location. All hours listed are local to their locations.
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Telephone: +1-888/996-7100 (toll-free) or +1-281/584-4357
Fax: +1-617/949-1724 (Cambridge, 08:00-18:00)
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Aspen Plus 11.1 User Guide Using Aspen Plus Help • 3-5
 Japan
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Fax: +81-3/3262-1744
Email: atjsupport@[Link]
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Improving Help
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assistance that the online help provided, or have any suggestions
for future improvements to our online information, we want to
know.
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Note: If you have a query about Aspen Plus itself and want to
email the AspenTech Support team, please email your local
Technical Support office.

3-6 • Using Aspen Plus Help Aspen Plus 11.1 User Guide
 CHAPTER 4

Defining the Flowsheet

Overview
For help on defining a flowsheet, see one of the following topics:
• Creating a process flowsheet
• Using heat and work streams
• Using pseudoproduct streams
• Viewing a process flowsheet
• Checking flowsheet completeness
• Modifying a process flowsheet
• Using flowsheet sections
• Printing
For descriptions and information about the user interface,click the
relevant topic:
• Main window
• Process Flowsheet window
• Model Library
• Data Browser

Creating a Process Flowsheet

To define a process flowsheet:
1 From the View menu, ensure that PFD mode is turned off.
Otherwise, the blocks and streams you place graphically, do
not become part of your simulation model.
2 Select the unit operation blocks and place them in the Process
Flowsheet Window.
3 Connect the streams to the blocks.

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-1

 After placing blocks and streams, you can:
• Delete blocks and streams
• Rename the blocks and streams
• Change stream connections
You can also improve the appearance of your flowsheet in many
different ways. For more information, see Modifying the
Flowsheet.
Mouse Pointer When you are defining your flowsheet, the shape of the mouse
Shapes pointer changes, indicating the particular mode Aspen Plus is in:
Pointer Function Use
Shape
Select mode Click an object to select it.
Click and hold an object to enter Move mode.
Click and drag to select a region or to move or
resize a region
(The pointer changes to the Resize shape).
Insert mode Click to place a model of the type selected in the
Model Library.
Note After placing each block, you remain in
Insert Mode until you click the Select Mode
button in the upper left corner of the Model
Library.
Connect mode Click a port to connect the stream to it
Click a blank area of the flowsheet to to place a
feed or product
Move mode Click and hold to move the object to a desired
location
Port move Click and hold to move the port to a desired
mode location
Drag the port away from the model to enter
Disconnect mode
Disconnect Click and hold on a stream while dragging it
mode away from a block to disconnect it. Release the
mouse button to enter Connect mode.
Resize mode Click and drag to resize a model or region
Use the Model Library to select unit operation models to be used in
the simulation.
Placing Blocks To place a unit operation block in a simulation flowsheet:
1 Click a model category tab in the Model Library to display a
list of models in that category.
2 In the Model Library, select the unit operation model that you
want to place in your process flowsheet. To choose a different
icon for the model, click the down arrow, and click an icon to

4-2 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 select it. The icon you select will remain the default icon when
placing that model, until you change the icon.
3 Click and hold down the mouse button on the unit operation
model, and drag it to the Process Flowsheet window.

4 The mouse pointer is in the shape of a box with an arrow,

which indicates that only one block will be placed.
5 In the Process Flowsheet window, release the mouse button
where you want to place the block.
If you have switched off Automatically Assign Block Names,
you are prompted to enter the Block ID. For more information
on IDs, see Options for Naming Blocks and Streams. The icon
that you selected appears on the flowsheet.
6 Continue creating your flowsheet. To place another block
repeat steps 1 through 4.
When you place or move blocks, the center of the block icon
snaps to a grid location if Snap to Grid is enabled on the
Grid/Scale tab of the Tools Options dialog box.
Placing Multiple Blocks To place multiple blocks of the same type in the flowsheet:
1 Click a model category tab in the Model Library to display a
list of models in that category.
2 In the Model Library, select the unit operation model that you
want to place in your process flowsheet. To choose a different
icon for the model, click the down arrow, and click an icon to
select it. The icon you select will remain the default icon when
placing that model, until you change the icon.
3 Click the unit operation model (click the icon then release the
mouse button.)
The pointer appears in the shape of a crosshair, representing
Insert mode.
4 In the Process Flowsheet window, click where you want to
place the block. The icon that you selected appears on the
flowsheet.
If you have switched off Automatically Assign Block Names,
you are prompted to enter the Block ID. For more information
on IDs, see Options for Naming Blocks and Streams. The icon
that you selected appears on the flowsheet.

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-3

 5 Continue creating your flowsheet.
If you want to Do this
Place another block for Click in a new location on the flowsheet.
the same model
Place a block for a Repeat steps 1 to 4.
different model
Stop placing blocks
Click the Select Mode button in the upper
left corner of the Model Library. This turns off
insert mode. Insert mode is on when the Select
Mode button is raised, and off when the button
is depressed.
When you place or move blocks, the center of the block icon snaps
to a grid location if Snap to Grid is enabled on the Grid/Scale tab
of the Tools Options dialog box.
Placing Streams and To place a stream:
Connecting Blocks 1 Click the STREAMS icon on the left side of the Model
Library.
2 If you want to select a different stream type (Material, Heat or
Work), click the down arrow next to the icon and choose a
different type.

4-4 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 Move the mouse pointer to the Process Flowsheet window. For
each block in the Process Flowsheet window, all ports that are
compatible with that stream type are highlighted.

Ports that must have at least one stream connected are shown in
red. Other optional ports are shown in blue. If you position the
mouse over a displayed port, the arrow is highlighted and a text
box with the description of the port appears.

3 Click a highlighted port to make the connection.

If the port is not at the location you want it, click and hold the
mouse button on the port. When the mouse pointer changes to
the port move shape ( ) drag to relocate the port on the
icon.
4 Repeat step 4 to connect the other end of the stream.
Only those ports that you can connect the other end of the
stream to remain highlighted. For example, if you connect a
stream to an outlet port, inlet ports remain highlighted but
outlet ports are no longer highlighted.

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-5

 If you have switched off Automatically Assign Stream Names,
then you will be prompted for a Stream ID.
5 To place one end of the stream as either a process flowsheet
feed or product, click a blank part of the Process Flowsheet
window.
If the stream’s source is already connected, then a product will
be placed. If the stream’s destination is already connected, then
a feed will be placed. By default, if you click a blank part of
the window before connecting either stream end, a feed is
placed.
6 To stop placing streams click the Select Mode button in the
upper left corner of the Model Library:
To cancel connecting the stream at any time, press ESC or
click the right mouse button.
To place another stream of the same type, repeat steps 4
through 6.
To place a stream of a different type, repeat steps 2 through 6.
Placing Streams and You can also use drag and drop to connect streams. The procedure
Connecting Blocks Using is similar to the one described above.
Drag and Drop
1 Select the stream type you want, by clicking the Material
Stream icon in the Model Library or using the down arrow next
to the icon to select a Heat or Work stream.
2 Click and hold down the mouse button on the stream icon.

Tip: Hold down the CTRL key during drag and drop to remain in
Insert mode after completing connections for the first stream.

3 Move the cursor to the Process Flowsheet Window.

The compatible ports are highlighted.
4 Release the mouse button on:
• A port to make a connection
• A blank part of the flowsheet to place a feed
5 Move the mouse and click:
• Another highlighted port to connect the other end of the
stream
• A blank part of the flowsheet to place a product

4-6 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 Using Heat and Work Streams
You can define heat and work streams to transfer heat and power
between blocks, or for duty and power specifications. For example,
you can use a work stream to transfer power from a turbine to a
compressor.
When creating a heat or work stream:
• Select the heat or work icon from the Model Library.
• Use a port labeled Heat Stream(s) or Work Streams(s).
Heat and work streams appear as dashed lines in the flowsheet.

Using PseudoProduct Streams

You can define pseudoproduct streams to represent column
internal flows, compositions, thermodynamic conditions streams
for some unit operations models.
Pseudoproduct streams from one block may be an inlet to another
block. Using a pseudo-stream as a block inlet results in an
imbalance in the overall flowsheet material and energy balance
report.
To define a pseudoproduct stream:
• When creating the stream select a port labeled Pseudo Streams.

Viewing The Flowsheet

If your flowsheet contains more than a few blocks, your workspace
will soon be full.
Sometimes block and stream IDs appear off the screen, so it is
difficult to locate a particular block or stream.
To display a block that is off the screen or a specific part of the
flowsheet, you can use the:
• Zoom level
• Scrollbars
• Data Browser
• Bookmarks
• Pan

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-7

 Adjusting the Zoom To change your view of the flowsheet by zooming:
Level • From the View menu point to Zoom, then the option you
require.
– or –
1 Position the mouse pointer in an empty area of the Process
Flowsheet window and click the right mouse button.
2 From the menu that appears, click:
This zoom option To
Zoom In Zoom in
Zoom Out Zoom out
Zoom Full Show the full flowsheet
With the view zoomed in, you can display a specific part of the
flowsheet by using the scroll bars.
Adjust the effect of Zoom In and Zoom Out by selecting Options
from the Tools menu and changing the value of the Zoom Scale
Factor on the Grid/Scale tab.
Using the Scrollbars If you are working in a large flowsheet, the block you want to
connect to may be off the screen. You can use the scrollbars to
display:
• A block that is off the screen
• A specific part of the flowsheet
To use the Workspace scrollbars:
• Click a scrollbar arrow.
The amount that this moves the view is determined by the
Scroll Step Size on the Grid/Scale tab of the Tools Options
dialog box.
– or –
• Click between the slider and an arrow.
This moves the view by a set amount.

4-8 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 Using the Process You can change the grid options for the current run on the Process
Flowsheet Toolbar Flowsheet toolbar.
Rotate
Display a scale Display the grid selected object
at the top and in the process Flip selected
one quarter object about
left of the flowsheet turn to the left
process window its X axis
flowsheet
window
Changes
Align objects to between
the grid when they selecting
are placed, and
Rotate
moved, or resized Flip selected inserting
selected object
object about its objects
one quarter
turn to the right Y axis

See Viewing Toolbars to see how to view this toolbar.

Using the Data If you are working in a large flowsheet, it may be difficult to locate
Browser to Find a particular block. You can use the Data Browser to find a block:
Blocks in a Large 1 From the Data menu, click Data Browser.
Flowsheet
2 Expand the Blocks folder.
3 Select the block that you want to find.
4 Return to the Process Flowsheet window, without clicking it.
To do this:
If you are in Do this
this view
Normal From the Window menu, click Process Flowsheet
window
– or –
Click the titlebar of the Process Flowsheet window
Flowsheet as Minimize or close the Data Browser
Wallpaper
Workbook Click the Process Flowsheet tab
The block you selected is highlighted.
5 Click the block with the right mouse button and from the menu
that appears, click Center View.
6 Click an empty part of the flowsheet and click with the right
mouse button, and from the menu that appears, click Zoom In
if you want a closer view.

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-9

 Using Bookmarks If you are working in a large flowsheet, there may be sections that
you want to look at frequently. Use Bookmarks to save these
views.
Creating a Bookmark To create a bookmark:
1 While in Select mode, click and drag to select an area of the
flowsheet.
2 Click the right mouse button and from the menu that appears,
click Bookmarks.
Tip You can also press F3 to access Bookmarks.
3 Type a name for the Bookmark in the Name box, then click
Add to add the bookmark to this list.
4 To exit the Bookmarks dialog box, click Close.
Accessing a Bookmarked To go to a bookmarked view:
View
1 In the Process Flowsheet window, click the right mouse button.
2 From the menu that appears, click Bookmarks.

Tip: You can also press F3 to access Bookmarks.

3 Click the name of the desired Bookmark, then click Go To.

4 The flowsheet appears in the predefined view you selected.
Using Pan Use Pan to select a view of the flowsheet at the current zoom level.
1 In the Process Flowsheet window, click the right mouse button.
2 A full view of the flowsheet appears and a dashed rectangle
3 Move the rectangle to an area that you wish to zoom in on and
click the left mouse button.
4 To cancel pan, click the right mouse button.

Checking Flowsheet Completeness

To check completeness for the entire flowsheet, look at the status
indicator in the bottom right of the main window.
If the status is Flowsheet Not Complete, then flowsheet
connectivity is incomplete because:
• Additional streams must be connected to one or more blocks in
the flowsheet.
• Streams have been disconnected but not reconnected.
• No blocks have been defined.
• To find out why the connectivity is incomplete:
• Click the Next button on the Data Browser toolbar.

4-10 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 A Flowsheet Not Complete window indicates what is required
to complete the flowsheet definition.
If any other status message appears, then flowsheet
connectivity is complete. All required streams are connected to
flowsheet blocks.

Modifying the Flowsheet

You can modify the flowsheet at any time to:
• Change its connectivity
• Improve the appearance
• Redraw all or part of the flowsheet
Changing Flowsheet To change the flowsheet connectivity, you can:
Connectivity • Delete blocks and streams
• Rename blocks and streams
• Change stream connections
• Insert a block into a stream
Deleting Blocks and To delete a block or stream:
Streams
1 Click the block or stream to select it.
2 Click with the right mouse button on the block or stream.
3 From the popup menu that appears, click Delete Block or
Delete Stream
4 When prompted, click OK.
Tip You can also select the block or stream, then press Delete
on the keyboard.
Renaming Blocks and To rename a block or stream from the flowsheet:
Streams
1 Select the block or stream you want to rename.
2 Click the right mouse button on the block or stream.
3 From the menu that appears, click Rename Block or Rename
Stream.
4 When prompted, enter the new name and click OK.
You can also rename blocks and streams using the Data
Browser.
Options for Naming By default, Aspen Plus automatically assigns IDs to blocks and
Blocks and Streams streams. You can either:
• Supply prefixes for the automatic naming
• Turn off the automatic naming and be prompted for a name for
each block and stream as you place it

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-11

 To specify the naming options:
1 From the Tools menu, click Options.
2 Click the Flowsheet tab.
3 Select the Automatically Assign Block Name with Prefix
and/or Automatically Assign Stream Name with Prefix check
box(es).
4 If desired, you can also type a prefix in the field. A sequential
number is added to the prefix. If no prefix is supplied, the
blocks or streams are numeric.
For more information on flowsheeting options, see Using the
Flowsheet Tab.
Changing Stream You can disconnect the end of a stream from a unit operation block
Connections and then connect it to another port on the same or a different block.
To change the port that a stream is connected to:
1 Click the stream.
2 Click the right mouse button.
3 From the menu that appears, click:
• Reconnect Source to disconnect the source end of the
stream
• Reconnect Destination to disconnect the output end of the
stream
For each block all available ports are highlighted. For example,
for a feed stream, the outlet ports are highlighted. The ID of the
stream appears in a text box by the end that is being
reconnected. Ports that must have at least one stream connected
are shown in red. Others are shown in blue.

4 Continue as you would for a new stream. Click the port to

which you want to connect the stream end, or click a blank part
of the flowsheet to place a feed or product.

4-12 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 Inserting a Block into a To insert a block into a stream:
Stream 1 Place the new block on the flowsheet by selecting a unit
operation model from the Model Library and dragging it to the
flowsheet. For more information, see Placing Blocks.
2 Select the desired stream and click the right mouse button on
the stream.
3 From the menu that appears, click Reconnect Source or
Reconnect Destination.
4 Click a port on the new block to reconnect the stream to it.
5 Connect a new stream from the new block to the original
source or destination, by clicking the STREAMS icon and
clicking the inlet or outlet port. For more information, see
Placing Blocks.
Improving the You can change the flowsheet layout at any time to improve the
Appearance of the appearance of your drawing. You can move:
Flowsheet • Blocks
• Multiple blocks and streams at once
• Block IDs
• Stream segments
• Stream corners
• Streams IDs
• Stream connnection locations
You can also:
• Hide block and stream IDs
• Reroute streams
• Align blocks
• Change icons
• Resize icons
• Rotate icons
• Use Place to redraw flowsheets automatically
Many commands and actions can apply to multiple blocks or
streams as well as to an individual one. See Selecting Multiple
Blocks and Streams.
You can select multiple blocks and streams in several ways:
• Click and hold the mouse button while dragging the mouse
over a region.
• Hold down the Ctrl key while clicking on the blocks or streams
• Click the right mouse button in the Process Flowsheet window.
From the menu that appears, click Select All

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-13

 Selecting Multiple Blocks To select all blocks and streams:
and Streams 1 In the Process Flowsheet window, click the right mouse button.
2 From the menu that appears, click Select All.
To select multiple blocks and streams:
• Click and hold the mouse button while dragging the mouse
over a region.
– or –
• Hold down the Ctrl key while clicking on the blocks or
streams.
Moving Multiple Objects To move multiple objects at once:
at Once
1 Select the objects you want to move.
2 Hold down the mouse button on any object within the region.
The mouse pointer changes to the move shape ( ).
3 Drag the objects to the location you want, and release the
mouse button.
Tip You can also select multiple objects and then use the
arrow keys (←↑→↓) to move them to the new location.
Moving a Block To move a block:
1 Press and hold down the mouse button on the unit operation
block (but not on the block ID) that you want to move.
The outline of the block is highlighted and the mouse pointer
changes to the move shape. Also a text box appears showing
information about the block, including name, section and status
of the block.

2 Drag the block to the location you want and release the mouse
button.
When you place or move blocks, the center of the block icon
snaps to a grid location if Snap to Grid is enabled. For

4-14 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 information on changing the grid options, see Using the
Grid/Scale Tab.

Tip: You can also select the block and then use the arrow keys
(←↑→↓) to make minor adjustments to the position of the block.

Moving a Block ID To move a Block ID:

1 Press and hold down the mouse button on the block ID.
The mouse pointer changes to the move shape ( ).
2 Drag the block to the location you want and release the mouse
button.
Tip You can also select the block ID and then use the arrow
keys
(←↑→↓) to move the block ID.
If you later move the block, the ID maintains its position
relative to the block.
Hiding a Block or Stream To hide a block or stream ID:
ID
1 Click the block or stream in the flowsheet to select it.
2 From the Flowsheet menu, point to Hide and then ensure ID is
checked.
– or –
Press CTRL + H on the keyboard.
Tip To hide the block IDs for all future blocks created, clear
the Display Block Name checkbox on the Flowsheet tab of the
Tools Options dialog box.
Changing the Icon To change an icon:
1 Click the block whose icon you wish to change.
2 Click with the right mouse button on the block.
3 From the popup menu that appears, click Exchange Icon.
4 The icons for the block changes to the next icon in the list for
the model.
Tip You can also change the icon by clicking the block, then
pressing the letter n to change to the next icon available for the
block, or p to change to the previous available icon.
Rotating Icons To rotate an icon:
1 Click the block whose icon you wish to rotate.
2 Click with the right mouse button on the block.
3 From the menu that appears, click Rotate Icon.

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-15

 4 A submenu appears, allowing you to rotate the icon to the right
(clockwise) or left, or flip the icon around either axis (for
example, to reverse flow direction).

Tip: You can also use the buttons on the Process Flowsheet
toolbar to rotate and flip an icon.

To resize an icon:
1 Click the block whose icon you wish to resize.
Resizing Icons 2 Click with the right mouse button on the block.
3 From the menu that appears, point to Resize Icon, then Shrink
or Enlarge to shrink or enlarge the icon by a built-in factor.
– or –
Position the mouse pointer over one of the corners of the block
icon until the Resize mode pointers appear. Drag the mouse
pointer until the icon until it is the desired size.
Aligning Blocks To align two blocks:
1 Click the stream between the two blocks.

Tip: You can also select one or more streams and press CTRL +
B.

2 Click with the right mouse button on the stream.

3 From the menu that appears, click Align Blocks.

Note: Blocks attached to selected streams are aligned on a grid if

Snap to Grid is enabled on the Grid/Scale tab.

Moving Stream To move the point where a stream connects to a unit operation
Connection Locations block without changing the stream's connection to its current port
on the icon:
1 Click the stream that you want to move or click the block to
which it is connected. The stream is selected

4-16 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 2 Position the mouse pointer where the end of the stream
connects to the block.
3 The arrow is highlighted and a text box with the descriptions of
the port appears.
4 Hold down the left mouse button. The mouse pointer changes
to the move shape.
5 Drag the stream end to the preferred point on the block and
release the mouse button.
Moving the stream end does not move the port to which the
stream is connected. Consequently, the point where the stream
end is now attached to the block is not a port and may not be
used to directly connect further streams.
6 To display the location of the port, click the stream end.

Relocated
stream end

port

Tip: You can also move any part of the stream by selecting it and
dragging the part of the stream you want to move to its new
location.

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-17

 Moving a Stream To move a stream segment:
Segment 1 Press and hold down the mouse button on the segment of the
stream you wish to move (but not on the stream ID).
2 The mouse pointer changes to the move shape.
3 Drag the segment of the stream to the location you want and
release the
mouse button.

Tip: You can also select the stream and then use the arrow keys
(←↑→↓) to make minor adjustments to the position of the stream.

Moving a Stream Corner To move a stream corner:

1 Press and hold down the mouse button on the corner of the
stream (but not on the stream ID).
The mouse pointer changes to the move shape.
2 Drag the corner of the stream to the location you want and
release the mouse button.

Tip: You can also select the stream and then use the arrow keys
(←↑→↓) to make minor adjustments to the position of the stream.

Moving a Stream ID You cannot move a stream ID off a stream but you can move a
stream ID along a stream. To do this:
1 Press and hold down the mouse button on the stream ID, until
the mouse pointer changes to the move shape ( ).
2 Drag the block to the location you want and release the mouse
button.
Rerouting Streams To reroute a stream automatically:
1 Click the stream you wish to reroute.
2 Click the right mouse button on the stream.
3 From the menu that appears, click Reroute Stream.

Tip: You can also select one or more streams and then press CTRL
+ J to reroute them.

Using Place and Unplace When you want to make several changes to the layout of all or part
to Redraw the Flowsheet of a flowsheet, you might find it easier to temporarily remove
(unplace) one or more blocks and then replace them.
To do this, use Place and Unplace to redraw all or part of the
flowsheet at any time. You can place:
• All of the blocks at once and let Aspen Plus choose the layout

4-18 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 • Blocks one at a time to create the layout you want
Before you can redraw the flowsheet, you need to temporarily
remove (or unplace) one or more blocks:
To remove Do this
A group of Select a group of blocks.
blocks Click the right mouse button on one of the blocks and
from the menu that appears, click Unplace Blocks.
A single block Select a block.
Click the right mouse button and
from the menu that appears, click Unplace Blocks.
The unplaced blocks appear in the Unplaced Blocks dialog box.

Tip: You can also select one or more blocks and then press CTRL
+ U to unplace them.

Using Place to Place a Use Place to place an individual block on the flowsheet. Do this
Block on the Flowsheet when you want to achieve a specific layout.
To place an unplaced block on the flowsheet yourself:
1 In the Unplaced Blocks dialog box, click and hold down the
mouse button on the ID of the block that you want to place.
2 Drag the block to the flowsheet and drop it where you want the
block located.
If you want Aspen Plus to place the next block automatically:
• In the Unplaced Blocks dialog box, click Place Next.
Aspen Plus selects the block that logically should appear next
in the flowsheet and places it in the appropriate position. This
will not necessarily be the block listed first in the Unplaced
Blocks dialog box.
If you do not like where Aspen Plus has placed the block,
move it to a different location.
As you place blocks, the streams that connect them also appear.
You can move stream segments or corners to achieve the desired
routing.

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-19

 Using Place All to Place If the number of unplaced blocks is small or you are not concerned
All the Blocks at Once about the layout of the flowsheet, you can place any unplaced
blocks quickly by using Place All to place all the blocks on your
flowsheet at once.
Aspen Plus chooses the layout for you.
To place all the blocks at once:
1 Select a block or group of blocks.
2 Click the right mouse button.
3 From the popup menu that appears, click Unplace Blocks.
4 In the Unplaced Blocks dialog box, click Place All.
5 Move individual blocks and reroute streams if necessary.

About Flowsheet Sections

A flowsheet section is a group of blocks and streams within the
flowsheet. Use flowsheet sections to:
• Enhance clarity
• Simplify viewing and printing large flowsheets
• Simplify assignments of physical property specifications or
stream classes
A stream belongs to a flowsheet section if it is an outlet of a block
in the section. A process feed stream belongs to a section if it is an
inlet to a block in the section.
To see which section a block or stream belongs to, select the block
or stream and a text box with the information will be displayed
while the pointer is over the selected item.
Aspen Plus predefines a default section GLOBAL for your
convenience. It assigns all blocks to GLOBAL unless you create
additional sections.
Use the Properties Specifications Flowsheet Section sheet to
specify physical property options for sections.
Creating a Flowsheet To create a new flowsheet section:
Section 1 From the Flowsheet menu, click Flowsheet Sections.
2 On the Flowsheet Sections dialog box, click New.
3 Enter an ID or accept the default ID then click OK.
The new section becomes the current section. Any additional
blocks you create are assigned to this section, until you select a
new current section.

4-20 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 Tip You can use this button on the Section toolbar to quickly
open the Flowsheet Sections dialog box.
Specifying the The current section is shown by the Section box on the Section
Current Section toolbar. All new blocks defined using graphics are assigned to the
current section.
To change the current section:
1 From the Flowsheet menu, click Flowsheet Section.
2 In the Flowsheet Sections dialog box, select a section from the
list or click the New button and create a new section.
3 Click the Make Current button.
4 Click OK to close the Flowsheet Sections dialog box.
The section you selected becomes the current section. Any
additional blocks you create are assigned to this section, until you
select a new current section.

Tip You can use the current section list on the

Section toolbar quickly specify the current section.
Using the Section The Section toolbar can be used to quickly change some options on
Toolbar the flowsheet sections.
Opens the
Specifies the Flowsheet
current selection Sections dialog
Display only the box
current flowsheet
section

Moving Blocks to a To move blocks from one section to another:

New Section 1 In the Process Flowsheet window, select one or more blocks.
2 Click the right mouse button on a selected block and from the
menu that appears, click Change Section.
3 To move the block or blocks to a different section, select the
Move to section option and select a section from the list.
– or –
To create a new section, select the Create new section option
and enter a section ID or accept the default ID.
4 Click OK to close the Change Section dialog box.
The selected block or blocks are moved to the section you
selected or created.
Specifying the The stream class assigned to section GLOBAL is the default
Stream Class for a stream class. By default, Aspen Plus assigns the stream class for
Section section GLOBAL to any new sections you create.

Aspen Plus 11.1 User Guide Defining the Flowsheet • 4-21

 To assign a different stream class to a section:
1 If the stream class you want to assign to the section does not
contain the appropriate substreams, use the Setup StreamClass
form to modify it. For more information, see About Global
Information.
2 From the Flowsheet menu, click Flowsheet Sections.
3 In the Flowsheet Sections dialog box, do one of the following:
• Select a section from the list
• Click the New button and create a new section
4 Click the Stream class button.
5 Select a stream class using the list. Click OK.
Viewing the Current To view only the current section:
Section 1 Click the Process Flowsheet window.
2 From the View menu, click Current Section Only.
Only the blocks and streams in the current section appear on the
screen. Streams to and from other sections are terminated by icons
containing the ID of the other sections.
To specify what is the current section see Specifying the Current
Section.

Tip You can use the button on the Section toolbar to quickly
view only the current Flowsheet Section.
Printing a Flowsheet To print a flowsheet:
1 Click in the Process Flowsheet Window to make it active.
2 Click the Printer button on the Standard toolbar.
– or –
From the File menu, select Print.
3 Choose the printer and desired settings in the Print dialog box.
4 Click OK.
Printing a Section of To print a section of flowsheet:
Flowsheet
1 From the Flowsheet menu, click Flowsheet Sections.
2 Choose the flowsheet section you want to print and click OK.
3 From the View menu, click Current Section Only.
4 Click the Printer button on the toolbar.
5 Choose the printer and desired settings in the Print dialog box.
6 Click OK.

4-22 • Defining the Flowsheet Aspen Plus 11.1 User Guide

 CHAPTER 5

Global Information for

Calculations

Overview
For help on specifying and changing all types of global
information, see one of the following topics:
• About global information
• Entering global specifications
• Overriding default simulation options
• Units of measure
• Stream classes
• Report options

About Global Information

Global specifications establish defaults for an entire run. Specify
global information before entering any engineering specifications
for your Aspen Plus run.
You can override these defaults for specific objects on other
sheets. Although you can return to these forms and change entries
at any time, it is recommended that you use them before any others
when starting a new run.

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-1
 Enter global specifications on the Setup forms. To access the Setup
forms:
1 From the Data menu, click Setup.
2 The following table shows which form to use to enter
information:
Use this form To
Specifications Enter global information
Simulation Options Specify calculations, flash convergence, and
system options, and time and errors limits
Stream Class Define stream class and stream properties
Substream Define substreams and attributes
Units Sets Define units-of-measurement sets
Report Options Specify report options
All of the global information you normally need to specify is on
the Setup Specifications Global sheet. When you create a new run,
the Application Type you choose establishes the defaults for the
Global sheet. The Aspen Plus expert system takes you to the
Global sheet so you can view the defaults and change or
supplement them if you want to. For most simulations, it should
not be necessary to change the defaults on the other Setup sheets.

Entering Global Specifications

Use the Setup Specifications form to enter global specifications,
accounting report information, diagnostic levels, and a run
description for reports. The following table shows the information
you can enter on each sheet:
On this sheet of the Enter this information
Specifications form
Global Run type, run title, run description, global
defaults (units, flow basis, phase equilibrium,
calculation options, stream class)
Accounting Run accounting information (required at some
installations)
Diagnostics Simulation history and Control Panel diagnostic
message levels
Description User supplied description of the simulation
problem
Global Sheet Use this sheet to enter a run title, specify default input and output
units of measurement for the run, and specify global settings. The
global settings include Run Type, Input Mode, Stream Class, Flow

5-2 • Global Information for Calculations Aspen Plus 11.1 User Guide
 Basis, Ambient Pressure, Valid Phases, and Use Free Water
Calculation.
You can override global specifications for individual unit
operations blocks using the Block Options form for each block.
Changing the Run Type You specify a Run Type when you create a new run. You can
change this run type at any time. See Selecting a Run Type for a
description of the available run types.
To change the run type:
1 On the Data menu, select Setup.
2 Click the Global sheet.
3 In the Run-Type box, select a run type.
Because each run type has different input requirements, changing
the run type may cause the input for the run to become incomplete.
Use Next to guide you through the required forms.
You can change the run type even after you have entered
specifications for a different run type. Aspen Plus hides forms that
the new run type does not allow. But if you switch back to the
original run type, data entered on these hidden forms are not lost.
Examples of when you might want to change the run type:
• You used a Property Estimation run to estimate and examine
properties for a non-databank component. Now you want to run
a flowsheet simulation using that component. If you change the
run type to Flowsheet, Aspen Plus retains the component
information and prompts you for the flowsheet information.
• You used a Property Estimation run to estimate and examine
properties for a non-databank component. Now you want to run
property analysis or property data regression involving that
component. If you change the run type to Property Analysis or
Data Regression, Aspen Plus retains the component
information, and prompts you for additional information to
complete your run specifications.
Specifying the Run Title To specify the run title:
1 From the Data menu, click Setup.
2 Select the Global sheet.
3 In the Title box, specify a brief run title.
You can supply additional descriptive information about the run on
the Setup Specification Description sheet, and on the Comment
forms available from any input sheet.

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-3
 Specifying Global Units You can specify separate global input and output units sets. For
Sets more information about how to customize an existing unit set, see
Units of Measure.
This global units set Becomes the default for all
Input Data Input sheets in the run
Output Results Results sheets
To specify global units sets:
1 From the Data menu, click Setup.
2 Select the Global sheet.
3 Specify the global units sets in the Input data and Output
results boxes.
You can change the global units set specifications at any time.
When you change the Input Data set, all new input forms you
display default to the new units set. Aspen Plus does not change
the units on forms you have already completed. When you change
the Output Results units set, all results sheets default to the new
units set after you complete a run.
Selecting a Default Stream classes define structures for simulation streams when solid
Stream Class substreams are present. When you create a new run, Aspen Plus
chooses a default stream class based on the application type. You
can change the default stream class on the Setup Specifications
Global sheet.
To change the default stream class:
1 From the Data menu, click Setup.
2 Select the Global sheet.
3 In the Stream Class box, select a stream class.
All streams in the simulation are assigned to the default stream
class, unless you assign a stream class to one of the following:
• A flowsheet section
• An individual stream, on the Stream-Class Streams sheet
For more information on using and creating stream classes, see
About Stream Classes.
Selecting the Simulation You can enter specifications for most flows on a molar, mass, or
Flow Basis standard liquid volume basis. For example, you can enter total
stream flow rate on any of these bases.
To select the global basis for flow-related information:
1 On the Data menu, select Setup.
2 Select the Global sheet.
3 In the Flow-Basis box, specify Mass, Mole, or StdVol.

5-4 • Global Information for Calculations Aspen Plus 11.1 User Guide
 The basis you select becomes the default basis for the run. You can
override the basis locally on most forms.
You can return to the Setup Specifications Global sheet and change
the default basis at any time. The basis for previously entered
values does not change.
Specifying Ambient Aspen Plus accepts gauge pressure units for all pressure variables.
Pressure for Gauge The default value for the ambient pressure is 1 atm.
Pressure Units
To change the ambient pressure:
1 From the Data menu, click Setup.
2 Select the Global sheet.
3 In the Ambient Pressure box, type a pressure. Change the units
if necessary.
Specifying Valid Phases Aspen Plus performs phase equilibrium calculations throughout a
simulation run for blocks, streams, and other objects. You can
specify the valid phases to be used in these calculations. Choose
from Vapor-Only, Liquid-Only, Vapor-Liquid, and Vapor-Liquid-
Liquid.
To change the valid phases:
1 From the Data menu, click Setup.
2 Select the Global sheet.
3 In the Valid phases box, select either Vapor-Only, Liquid-
Only, Vapor-Liquid, or Vapor-Liquid-Liquid.
You can override the global setting locally, at the individual block
or stream level, using the Valid Phases box.
Requesting Free Water Aspen Plus can handle the presence and decanting of water as a
Calculations second liquid phase in water-hydrocarbon systems. Free-water
calculations:
• Assume the water phase is pure
• Use special methods for calculating the solubility of water in
the organic phase
To request free-water calculations globally:
1 From the Data menu, click Setup.
2 Select the Global sheet.
3 Select the Use Free Water Calculations check box.
You can override the global setting locally, at the individual block
or stream level, using the Valid Phases box to select Vapor-Liquid-
Free Water.
Description Sheet Use this sheet to enter the description for the simulation. The
description you enter on this sheet will be printed once, at the

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-5
 beginning of the report. You can enter any amount of text in
uppercase and lowercase letters to document your run in more
detail. You can use any number of lines to enter text. However,
you cannot exceed the maximum length of each line (72
characters): the excess will be truncated.
Specifying a Run To specify a run description:
Description
1 From the Data menu, click Setup.
2 Select the Description sheet on the Setup Specifications form.
3 Enter a description in the Description box.

Tip: You can write a description in your text editor (for example,
Notepad) and then copy and paste it onto the Description sheet.

Accounting Sheet Use this sheet to enter run accounting information (required at
some installations). The accounting information includes: a user
name, an account number, a project ID, and a project name. This
information is stored for the run by the Aspen Plus Run
Accounting System, if it is active for your installation.
Accounting Report Accounting report information tracks the use of Aspen Plus at your
Information installation. This information may be required at some
installations.
To specify run accounting information:
1 From the Data menu, click Setup.
2 Select the Accounting sheet on the Setup Specifications form.
3 In the User Name box, specify a username.
4 In the Account Number box, specify an account number.
5 In the Project ID box, specify a project ID.
6 In the Project Name box, specify a project name.
The Aspen Plus Run Accounting System logs this information for
the run, if it is active for your installation.
Diagnostic Sheet Aspen Plus writes progress and diagnostic messages to the Control
Panel and the History File during a run. The default for all types of
messages is level 4. You can control the amount of diagnostic
information produced, although it is generally not necessary. It is
sometimes necessary to increase the level in order to converge a
flowsheet or to debug user Fortran.
Use this sheet to override defaults for simulation history diagnostic
message levels and Control Panel message levels printed. You can
set message levels and diagnostics for input translation, simulation,
physical properties, stream, convergence, Fortran variables, cost
and economics.

5-6 • Global Information for Calculations Aspen Plus 11.1 User Guide
 Specifying Global To specify global defaults for diagnostic information:
Defaults for Diagnostic 1 From the Data menu, click Setup.
Information 2 Click the Diagnostics sheet.
3 Use the slider controls to adjust the message levels you want to
change. The slider on the top of each line is for the Control
Panel messages, and the slider on the bottom is for the History
File messages.
4 Click the History Options button to change the print options for
the History file. Check Insert files used in the simulation or
Sorted input if this information is desired in the History file.

Tip: You can override the global defaults locally, using the Block
Options sheets for streams, blocks, property tables, and other
objects that perform calculations.

Setup Simulation Options

Use the Setup Simulation Options form to override defaults for
simulation options set by Aspen Plus. Aspen Plus provides defaults
for performing energy balances and convergence calculations.
Aspen Plus also has default time limits. You can use this form to
override these defaults. You also can specify simulation options at
the individual block level.
This table shows which sheets are used for which information:
Sheet Information
Calculations Options for Heat and mass balances, molecular weight
from formula, reinitialize calculations, bypass Prop-Set
calculations, reaction stoichiometry checking
Flash Global temperature and pressure limits, maximum
Convergence iterations, flash tolerance, extrapolation threshold for
equations of state
System Interpret or compile Fortran, unit operation model and
Fortran error checking
Limits Simulation time and error limits
Calculations Sheet Use this sheet to specify calculation options for:
• Checking mass balances around blocks
• Performing mass-balance-only calculations
• Calculating component molecular weight from atomic formula
• Using results from a previous convergence pass
• Bypassing prop-set calculations if flash fails

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-7
 You can also use this sheet to specify reactions stoichiometry error
checking options.
Checking Mass Balances Aspen Plus performs a mass balance check around each block as it
Around Blocks is executed and at the end of the simulation. Mass balance
checking is performed with a relative tolerance of 0.0001.
Imbalances can occur for numerous reasons — for instance,
improper stoichiometry or yield fraction specifications, loose
convergence tolerances, inconsistent user kinetic rates, or flows
changed by Calculator, Transfer, or Balance blocks. Mass balance
checking will point out these imbalances and in many cases
provide the reason for the imbalance.
You can turn off this checking to lower the number of error or
warning messages generated during a simulation. To disable mass
balance checking around blocks:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
Simulation Options form.
3 Click to clear the Check Mass Balance Error Around Blocks
check box.
About Mass-Balance- Mass-balance-only simulations:
Only Simulations
• Are appropriate when energy balances are not required
• Do not calculate enthalpies, entropies, or free energies, thus
reducing calculation time
• Reduce data input requirements for physical property
parameters
Mass-balance-only simulations do not require:
• CPIG, DHFORM, and DGFORM parameters
• Parameters for models that calculate only enthalpy, entropy, or
free energy
To request a mass-balance-only simulation:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
Simulation Options form.
3 Click to clear the Perform Heat Balance Calculations check
box.

5-8 • Global Information for Calculations Aspen Plus 11.1 User Guide
 Using Unit Operation In a mass-balance-only run, you can use these unit operation
Models in Mass-Balance- models without restriction:
Only Simulations CFuge HyCyc
Crusher Mixer
Cyclone Mult
Dupl Screen
ESP Sep
FabFl Sep2
Filter SSplit
FSplit VScrub
You can use these models only if you do not specify heat duty:
CCD RBatch
Decanter RCSTR
Distl RPlug
DSTWU RSstoic
Flash2 RYield
Flash3 SWash
Heater
You cannot use these models in a mass-balance-only run:
BatchFrac PetroFrac
Compr Pipeline
Crystallizer Pump
Extract RadFrac
HeatX RateFrac
MCompr REquil
MHeatX RGibbs
MultiFrac SCFrac
Heat and work streams are not allowed in a mass-balance-only
simulation.
Calculating Molecular The molecular weight is available in Aspen Plus databanks
Weight from Formula (parameter MW). However, the databank molecular weight value
may not contain enough significant figures for certain applications
for which atomic balance is important, such as reactor modeling.
Aspen Plus calculates the molecular weight for all components in
the simulation from the molecular formula (parameters ATOMNO
and NOATOM) and the atomic weight. The calculated molecular
weight is more accurate than the databank molecular weight. By
default, the calculated molecular weight is used in the simulation.

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-9
 To request to calculate from the formula in a simulation:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
Simulation Options form.
3 Click the Calculate Component Molecular Weight from
Atomic Formula check box.
Reinitializing Calculations By default, iterative calculations in Aspen Plus use any available
previous results as an initial guess. If necessary, you can override
this default and request that all calculations be reinitialized each
calculation pass.
Request reinitialization when:
• A block has multiple solutions and you can obtain the one you
want only by starting from your own initial estimate.
• A block or flowsheet fails to converge for no apparent reason,
after one or more successful passes.
To request reinitialization globally:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
Simulation Options form.
3 On the Calculations sheet, click to clear the Use Results from
Previous Convergence Pass check box.
If the Use Results from Then Aspen Plus
Previous Convergence
Pass check box is
Selected Uses results from a previous calculation pass
as the initial guess for the new pass
Clear Performs initialization or uses initial estimates
at every new calculation pass
You can override the global setting:
• At the block level, on the Block Options sheet for the block
• Interactively, using the Reinitialize commands from the Run
menu
If the reinitialization option for a block is clear when you request
reinitialization interactively, reinitialization occurs only on the next
calculation pass.
Bypassing Prop-Set By default, Aspen Plus will not calculate the property sets if a flash
Calculations When Flash error occurs.
Fails
If the property sets are calculated when severe flash errors occurs,
the property set calculations may be unreliable, and may cause
further errors.

5-10 • Global Information for Calculations Aspen Plus 11.1 User Guide
 To request to calculate the prop-set calculations even when the
flash fails:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
Simulation Options form.
3 On the Calculations sheet, clear the Bypass Prop-Set
Calculations if Flash Failure Occurs checkbox.
Checking Reaction If reactions stoichiometry (such as Reactors, Chemistry, Reaction)
Stoichiometry is specified, Aspen Plus checks the mass-balance of stoichiometry
based on the stoichiometric coefficient and molecular weight of the
components.
You can use the option button to select whether Aspen Plus gives
an error or a warning during Input translation if mass imbalance
occurs. Simulation will not proceed if an error occurs during Input
translation.
See Requesting a Warning to see how to change the settings and
request a warning rather than an error.
You can also use the Mass Balance Error Tolerance box to specify
the absolute tolerance of the mass balance check of stoichiometry.
The default value of the tolerance is 1 kg/kgmole.
The error severity depends on the Mass Balance Error Tolerance
and what checking option you specify:
Checking Option Absolute Error Error Severity
Issue Error When Mass > Tolerance Error
Imbalance Occurs
Issue Error When Mass < Tolerance and > 0.01 Warning
Imbalance Occurs
Issue Warning When Mass > Tolerance Warning
Imbalance Occurs
Requesting a Warning To request a warning rather than an error to be issued when a mass
imbalance occurs:
1 On the Data menu, click Setup.
2 In the left pane of the Data Browser window, click the
Simulation Options form.
3 On the Calculations sheet, select the Issue Warning when Mass
Imbalance Occurs check box.
4 The tolerance can be changed by typing a new tolerance in the
Mass Balance Error Tolerance box.

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-11
 Flash Convergence Use the Flash Convergence sheet to specify calculation options for
Sheet setting:
• Upper and lower limits of temperature for flash calculations
• Upper and lower limits of pressure for flash calculations
• Flash options for flash calculations
• Extrapolation threshold for equations of state
Specifying Temperature To specify upper and lower limits on the temperature and pressure
and Pressure Limits variables used in iterative flash and distillation calculations:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
Simulation Options form.
3 Select the Flash Convergence sheet on the Simulation Options
form.
4 Use the Lower Limit and Upper Limit boxes to specify upper
and lower limits for temperature and pressure.
These limits apply to the entire simulation. You cannot override
them locally.
Specifying Global Flash Aspen Plus performs phase equilibrium (flash) calculations
Options throughout a simulation run, for blocks, streams, and other objects.
You can specify global values for the maximum number of
iterations and the convergence tolerance to be used in these
calculations.
The flash tolerance may need to be tightened (lowered) in complex
simulations with a number of recycle loops in order to help the
convergence
To specify global flash options:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
Simulation Options form.
3 Select the Flash Convergence sheet.
4 In the Maximum Number of Iterations box, specify the default
for the maximum number of flash iterations.
5 In the Tolerance box, specify the default flash tolerance.
You can override the maximum number of flash iterations and
flash tolerance on forms for blocks, streams, and other
calculations.
Specifying Extrapolation All equations of state in Aspen Plus use a root finder to calculate
Threshold for Equations the molar volume iteratively at given temperature, pressure and
of State mole fractions. Given physically meaningful conditions, the real
molar volume root can always be located by the root finder.

5-12 • Global Information for Calculations Aspen Plus 11.1 User Guide
 However, during iterative calculations in flash or a distillation
model, the temperature, pressure, compositions and phase
specification may be such that a real molar volume root does not
exist. Aspen Plus provides an estimate of the molar volume that is
reasonable, allowing the flash or distillation algorithm to converge
to a physically meaningful solution.
If you encounter convergence problems due to extrapolation of an
equation of state root finder, you can improve performance by
changing the extrapolation threshold. A smaller value of the
threshold makes it less likely for the extrapolation to occur.
To specify the extrapolation threshold for equations of state:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
Simulation Options form.
3 Select the Flash Convergence sheet.
4 In the Extrapolation Threshold for Equation of State box,
specify a value for the extrapolation threshold.
This limit applies to the entire simulation. You cannot override it
locally.
System Sheet Use this sheet to override the defaults for system options that affect
error checking and handling of in-line Fortran statements:
You can override these defaults:
• Interpret all in-line Fortran statements at execution time
• Compile all Fortran statements into the Aspen Plus main
program
• Check unit operation block for errors and inconsistencies
• Print Fortran tracebacks when a Fortran error occurs
Limits Sheet Use this sheet to specify limits for:
• Maximum CPU time for a batch run
• Maximum number of severe errors for a batch run
• Maximum number of Fortran errors for a batch run
• Maximum number of errors and warnings printed in the
History file

Units of Measure
Use the Units Sets form to create new user-defined units sets and
to view existing units sets. A units set is a collection of units for
each dimensional quantity in Aspen Plus.

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-13
 A units set defined using this form can be specified in the Input
Data or Output Results boxes on the Setup Specifications Global
Sheet or on the Units box on the toolbar of the Data Browser.
This table describes the Units-Sets form:
Sheet Information
Standard List and select an existing units set as a base for a new
units set; search for all the dimensional quantities
alphabetically; specify flow, temperature, and pressure-
related units
Heat Specify enthalpy, heat, heat capacity, and entropy-
related units
Transport Specify volume, density, transport-related and
miscellaneous thermo units
Concentration Specify energy/power, time, concentration, and
composition-related units
Size Specify size, equipment sizing, cost, and column
sizing-related units
Miscellaneous Specify miscellaneous units
Selecting Units of A units set is a collection of units specifications for each
Measure dimensional quantity used in Aspen Plus. Aspen Plus provides
these basic units sets:
• International system units (SI)
• English engineering units (ENG)
• Metric engineering units (MET)
Additional built-in units sets are available, depending on which
Application Type you choose when you create a new run.
In Aspen Plus you have complete flexibility in specifying units of
measure. You can specify units on three different levels:
Level For For input For results
sheets sheet
Global units sets Entire run Yes Yes
Sheet units set Individual form or object Yes Yes
Field units Individual fields or a group Yes Yes
of fields
Viewing Units To see what units are specified by a units set:
Specifications
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the Units
Sets folder.
3 In the Units Sets object manager, select the units set you want
to view and click Edit.

5-14 • Global Information for Calculations Aspen Plus 11.1 User Guide
 The unit types used by Aspen Plus appear on six sheets:
Standard, Heat, Transport, Concentration, Size, and
Miscellaneous.
4 Select a sheet and view the units specifications.
You can create your own units sets on the Setup Units Set sheets.
See Defining Your Own Units Set for information on how to
define your own units set.
Specifying Units Sets for You can override the global units sets for individual forms and
Forms or Objects objects, such as for a block, stream, or property table. To do this:
• On the Data Browser toolbar, use the Units box to
select a units set.
A units set specification applies to all forms for an object.
For example, if you specify a units set on the Data Browser toolbar
while the RadFrac Setup Streams sheet is active, the new units set
applies to all input forms for the block. For each object, you
specify units sets separately for input forms and results forms.
Specifying Units Sets for You can specify units for individual fields and groups of fields on
Fields an input form. Selects units in the units fields next to the data
fields.
Changing the units for an individual data field does not convert
any value entered previously. Aspen Plus assumes you entered the
numeric value you intend to use and that you will specify
appropriate units for the value.
Defining Your Own Units To define your own units set:
Set
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser, select the Units Sets form.
3 On the Units-Sets Object Manager, click New.
4 In the Create dialog box, enter an ID or accept the default ID
for the units set and click OK.
The unit types you can specify are on six sheets: Standard,
Heat, Transport, Concentration, Size, and Miscellaneous.
5 On the Standard sheet, use the drop down arrow in the Copy
From/View box to select an existing units set as the starting
point for your new units set. Choose the units set that is closest
to the new set you are creating.
Aspen Plus fills in the units for each units type and a dialog
box appears.
6 Click Yes or No.
7 If you select Yes, the global units of measurement for both
Input data and Output results are changed to the new units set.

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-15
 8 Click the appropriate sheet and go to the units type you want to
modify. Use the drop down arrow to select the units option you
want.
9 Repeat Step 6 for all units types you want to modify.

Tip: To see all of the units types arranged alphabetically click the
Search button.

Example of Defining a 1 Create a new units set, US-1, that is identical to the ENG units
New Units Set set, except US-1 uses units of ATM for pressure and C for
temperature.
2 From the Data menu, click Setup.
3 In the left pane of the Data Browser, click the Units Sets form.
4 In the Units-Sets Object Manager that appears, click the New
button.
5 Accept the default ID in the Create New ID dialog box (US-1).
6 Click OK. The Units-Sets Form appears with the Standard
sheet displayed.

7 Aspen Plus asks if you want to make your new units set the
global default for subsequent specifications. After you have
defined the new units set, you can specify US-1 in the Units
box in the Data Browser toolbar.
8 On the Copy From box, use the drop down arrow and select
ENG as the set to copy from. The ENG units set values appear
in the units box.
9 On the Temperature box, use the drop down arrow and select C
as the temperature.
10 On the Pressure box, use the drop down arrow and select atm
as the pressure.

5-16 • Global Information for Calculations Aspen Plus 11.1 User Guide
 Report Options
Use the Setup Report Options form to customize the simulation
report. See Generating a Report for more information on
generating and accessing the reports.
See one of the following topics for help on customizing the stream
report:
• Options for customizing the stream report
• Specifying stream results format
• Including streams
• Designating property sets
• Using the Batch Operation button
• About Batch stream reports
• About Supplementary stream reports
The following table shows what you can specify and where it is
located:
On this sheet Specify
General Which sections of the report are included or suppressed
The major sections of the report are input summary, flowsheet, block,
stream profiles, properties, sensitivity block, assay data analysis, and
inserts.
You can select if a report is generated at all. If this option is not selected,
you cannot select any other report options.
You can also specify the number of lines that are printed on a page. The
default number is 60 lines.
Flowsheet What flowsheet information is included
The items that can be included in the flowsheet report are the total mass
and energy balance around the blocks, the component mass balance
around the blocks, the descriptions of all flowsheeting options, and the
input and results of convergence blocks, sequence, Calculator, Design
specifications, constraints, optimization problems, and transfer blocks.
These options are only available when the Flowsheet option is checked
on the General sheet.

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-17
 On this sheet Specify
Block Which blocks and how much information to include or suppress from the
report
Use the right arrow button to move blocks from the Available blocks list
to the Selected blocks list to be included in the report. The left arrow
button is used to remove blocks from the Selected block list. The double
arrows are used to move all of the blocks in a list at once.
Items that can be included are a summary of user input and system
defaults for each block, block results.
Also, each block report can be started on a new page, and blocks can be
listed alphanumerically or in the order that they are listed on the
flowsheet form.
These options are only available when the Block option is checked on
the General sheet.
Stream What stream information is included and in what format. You can use
the Standard form to tailor the Stream-Summary report.
Use the Batch Operation button to select options for batch streams
Items that can be included in the stream report are any combination of
Mole, Mass, or Standard Liquid Volume flow or fraction, any number of
property sets, component attributes, substream attributes, particle size
distribution size limits and stream structure information.
Streams can be listed alphanumerically or in the order that they are listed
on the flowsheet form.
These options are only available when the Stream option is checked on
the General sheet.
Property The property information to be included
Items that can be included are List of component IDs, formulas and
names, the values in SI units of all physical property parameters used in
the simulation, property constant estimation results, and the values of all
physical property parameters along with the property parameters’
descriptions, equations and sources of data.
Additional property files [DMS format input file (*.DFM), Project data
file (*.PRJ), and/or Property data format file (*.PRD)] can also be
generated automatically when you export a report file.
All of these options are only available when the Property option is
checked on the General sheet.
ADA What assay data analysis information is included
Items that can be included are the list of generated pseudocomponents, a
distillation curve report, and the values of all pseudocomponent property
parameters in SI units.
All of these options are only available when the ADA option is checked
on the General sheet.

5-18 • Global Information for Calculations Aspen Plus 11.1 User Guide
 Customizing the You can customize the stream format using these options:
Stream Report Stream Report Description
Options
Flow basis Display flow rate of each component in each streams
in the basis specified. Any combination of Mole,
Mass, or Standard Liquid Volume can be chosen.
Fraction basis Display fraction of each components in each streams
in the basis specified. Any combination of Mole,
Mass, or Standard Liquid Volume can be chosen.
TFF Table Format File used to specify the order and
format of values printed in the stream report. For
more information, see Specifying Stream Results
Format.
Report width Print five streams (80 column) or ten streams (132
column) across a page. Applies only to Report file.
Sort stream Streams sorted alphanumerically. Applies only to
alphanumerically Report file.
Include Include components in the stream report, even if they
components with have zero flow or fraction.
zero flow or If this option is not selected, components with zero
fraction flow or fraction are not printed for that stream
Include Streams Specify which streams are printed in the report and
order the streams. Applies to the Report file and does
not apply to the Stream Results Summary.
Property Sets Specify property sets for additional properties to be
calculated and printed for all of the streams.
Component Component attributes, particle size distribution
Attributes values, particle size distribution size limits and
stream structure information can be printed for all of
the streams. Applies to the Report file and does not
apply to the Stream Results Summary.
Batch Operations Designated streams can be reported on a batch basis.
Supplementary Specify additional (supplementary) stream reports. A
stream supplementary report can have different options from
the standard report. A supplementary stream report
can be generated even if you suppress the standard
stream report. Applies to the Report file and does not
apply to the Stream Results Summary.
Applies to the Report file and does not apply to the Stream Results
Summary.
Specifying Stream The table format file (TFF) determines the format (order, labels,
Results Format precision, and other options) of the stream results shown on the
Stream Summary sheet.
Aspen Plus provides built-in TFFs tailored to each Application
Type, and chooses an appropriate TFF for the Application Type

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-19
 you choose when you create a new run. You can also create your
own TFFs.
You can specify the TFF in either of these places:
• Format box of the Results Summary Streams Material sheet
• Stream Format box on Setup ReportOptions Stream sheet
Aspen Plus uses the TFF you select in either box for all Results
Summary Streams Material sheets you display, until you select
another TFF.
It is not necessary to re-run the simulation in order to see the
results in another format.
Including Streams By default, all of the streams are included in the report.
To customize the list of streams to be included in the report:
1 Click the Include Streams button Setup ReportOptions Stream
sheet.
2 The right arrow button can be used to move streams from the
Available streams list to the Selected streams list to be included
in the report. The left arrow button is used to remove streams
from the Selected streams list. The double arrows are used to
move all of the streams in a list at once.
Designating Property In addition, you may designate property set IDs for additional
Sets stream properties to be included in the report.
To customize the list of property sets to be included in the report:
1 Click the Property Sets button on the Setup ReportOptions
Stream sheet.
2 The right arrow button can be used to move Property Sets from
the Available property sets list to the Selected property sets list
to be included in the report. The left arrow button is used to
remove property sets from the Selected property sets list. The
double arrows are used to move all of the property sets in a list
at once.
Component Attributes Use the Component Attribute button to select options for
component attributes.
Any combination of the following can be printed for all of the
streams:
• Component attributes
• Substream attributes
• Particle size distribution (PSD) values
• Particle size distribution size limits
• Stream structure information

5-20 • Global Information for Calculations Aspen Plus 11.1 User Guide
 Using the Batch Use the Batch Operation button to select options for batch streams.
Operation Button The Batch-Operation form is used to designate streams as batch
streams and to specify
• Cycle times
• Down times
• Operation times
• Number of parallel trains for these streams
You can specify just cycle time or any two of the three times.
About Batch Streams An Aspen Plus simulation computes the average flow of all
streams, assuming continuous steady-state flows. You can
designate any type of stream (material, heat, or work) as a batch
stream, to report it on a batch basis. Batch stream reporting is used
to represent:
• Batch charges
• Batch discharges
• Semi-continuous streams (streams that operate for only a
portion of a complete batch cycle)
Each batch stream can have different time specifications, such as
cycle time or down time.
All batch stream results appear in the standard stream report of the
Aspen Plus report file. The following information is reported:
• Cycle time
• Operation time
• Number of trains
• All material and energy flows in three ways:
− Average flow rate over entire cycle for all trains
− Total amount of material and energy per cycle per parallel
production train (average flow rate * cycle time / number of
trains)
− Flow rate per train during actual operation
[ amount / cycle / train / operation time ]
The Stream Results Summary sheet displays all batch stream
results if you select the FULL Table Format File (TFF) on the
Format box. If you select PHARM-E, PHARM-M, SPEC-E, or
SPEC-M in the Format box, Aspen Plus excludes the operating
time, number of trains, and flowrate during actual operation from
the stream summary. If you select any other built-in TFF, the
stream summary form displays average flow rate of material and
energy only. It does not display batch stream results.

Aspen Plus 11.1 User Guide Global Information for Calculations • 5-21
 Designating a Stream as To designate a stream as a batch stream:
a Batch Stream 1 Click the Batch Operation button on the Setup ReportOptions
Streams sheet.
2 In the stream box, select a stream ID from the list.
3 You can specify cycle time only, or two of the following times:
• Cycle time
• Down time
• Operation time (Zero indicates an instantaneous charge or
discharge.)
4 You can also specify the number of parallel trains. The default
is one.
About Supplementary A supplementary stream report can be generated in the Report file.
Stream Reports This selection only applies to the Report file and does not affect to
the Stream Results Summary in the graphical user interface.
You can print the standard stream report whether a supplementary
stream report is to be generated or not. A supplementary stream
report can be generated even if you suppress the standard stream
report.
The options available for the Standard stream report are also
available for the Supplementary stream report. In addition, a
subroutine can be used to generate a user stream report. The
subroutine is specified by clicking on the Subroutine button.

5-22 • Global Information for Calculations Aspen Plus 11.1 User Guide
 CHAPTER 6

Specifying Components

Overview
For help on specifying components, see one of the following
topics:
• Forms for specifying component information
• Specifying databank and non-databank components
• Adding, deleting, and changing components
• Generating electrolyte components and reactions
• Identifying solid components
• Assigning attributes for conventional and nonconventional
components
• Specifying supercritical (HENRY) components
• Specifying UNIFAC groups
• Defining component groups

Aspen Plus 11.1 User Guide Specifying Components • 6-1

 Forms for Specifying Component
Information
Use these forms to specify component information:
Form Sheet What is Specified
Specifications Selection All components used in a simulation
Petroleum Assays, blends, and pseudocomponents
Nonconventional Nonconventional components
Databanks Pure component databanks to search for property
parameters
Assay/Blend – Pseudocomponent characterization
Petro characterization
Pseudocomponents – Pseudocomponents data
Attr-Comps Selection Component attributes assigned to conventional
components
Henry Components Selection Sets of supercritical components for which Henry's
law is used in activity coefficient property methods
UNIFAC Groups Selection UNIFAC functional groups
Comp-Group – Groups of components considered as a unit for tear
stream convergence

About Databanks
Aspen Plus stores physical property parameters for a large number
of components in several databanks. In addition to the standard
Aspen Plus databanks, in-house databanks may be available at
your site.
To see the available pure component databanks, and to see or
change which databanks are active for a simulation:
1 From the Data menu, click Components.
2 On the Specifications form, click the Databanks sheet.
3 Aspen Plus searches the databanks in the order listed in the
Selected Databanks list on this sheet. The default order is
appropriate for most simulations.
To change the search order for databanks in this simulation,
click a databank in the Selected Databanks list, and then click
the up and down arrow keys to move the databank higher or
lower in the list.
See Changing Databanks Search Order for information about
changing search order globally.

6-2 • Specifying Components Aspen Plus 11.1 User Guide

 4 You can choose additional databanks from the Available
Databanks list and add them to the Selected Databanks list
using the right arrow button.
To remove a databank from the search, in the Selected
Databanks list, click a databank then click the left arrow button
to move it to the Available Databanks list.
Contents and Use of This table shows the contents and use of the pure component
the Aspen Plus databanks included with Aspen Plus:
Databanks Databank Contents Use
PURE11 Pure component parameters for mostly organic Primary component
components databank in Aspen Plus
AQUEOUS Pure component parameters for ionic and Simulations containing
molecular species in aqueous solution electrolytes
SOLIDS Pure component parameters for strong Simulations containing
electrolytes, salts, and other solids electrolytes and solids
INORGANIC Pure component parameters for inorganic and Solids, electrolytes, and
organic components metallurgy applications
PURE856 Version of main pure component databank For upward
delivered with Aspen Plus Release 8.5-6 compatibility with
previous releases of
Aspen Plus
PURE93 Version of main pure component databank For upward
delivered with Aspen Plus Release 9.3 compatibility with
previous releases of
Aspen Plus
PURE10 Version of main pure component databank For upward
delivered with Aspen Plus Version 10 compatibility with
previous releases of
Aspen Plus
AQU92 Version of AQUEOUS delivered with For upward
Aspen Plus Release 9.2 compatibility with
previous releases of
Aspen Plus
ASPENPCD Version of main pure components databank For upward
delivered with Aspen Plus Release 8.5-6 compatibility with
previous releases of
Aspen Plus
COMBUST Pure component parameters for combustion For high temperature,
products, including free radicals gas phase calculations
ETHYLENE Pure component parameters for components Ethylene processes
typically found in ethylene processes for the
SRK property method
See Retrieving Components from Databanks for more information
on retrieving built-in components from databanks.

Aspen Plus 11.1 User Guide Specifying Components • 6-3

 Specifying Components from a
Databank
You must:
• Ensure your simulation contains at least one component.
• Provide Aspen Plus with a list of all the components in the
simulation
• Assign a component ID to each component. This ID will refer
to the component on all subsequent input forms, results forms,
and reports.
To specify the components:
1 From the Data menu, click Components.
2 In the Component ID box of the Selection sheet, type an ID for
the component you want to add. Every component must have a
Component ID.
Exact match found Then Aspen Plus
in databank?
Yes Fills in the Formula and Component name. Omit
the remaining steps.
If you choose not to retrieve data, delete the
formula or component name with the backspace
key.
No Requires you to enter the formula or component
name, if you want to retrieve data from the
databank.
To specify the Formula or Component Name
yourself, go to Step 3.
To use Find, click the Find button and go to Step 4.
3 This table shows what happens.
If you enter And an exact Then Aspen Plus
a match is
Formula Found Fills in the Component Name. You need to
specify the Component ID if it has not already
been done. Omit the remaining steps.
Formula Not found Displays the Find dialog box with any partial
match results displayed. See Step 4 for using
the Find dialog box. Omit the remaining steps.
Component Found Fills in the Formula. You need to specify the
name Component ID if it has not already been done.
Component Not found Displays the Find dialog box with any partial
name match results displayed. See Step 4 for using
the Find dialog box.

6-4 • Specifying Components Aspen Plus 11.1 User Guide

 4 Use the Find dialog box to enter search criteria for your
component.
On the Name or Formula sheet, you can search for strings
contained in the name or formula of a component. Using the
Advanced sheet, any combination of these items can be entered
and used to search for a component:
If you enter a Then Aspen Plus searches for
Component name or Any components that include the string in
formula any part of the component name or formula
Match only components Any components that include the string in
beginning with this string the beginning of the component name or
formula
Component class A component that is in the component class
category.
Molecular weight Components in that molecular weight range.
Boiling Point Components in that boiling point range.
CAS number Components with that Chemical Abstracts
Service registry number.
5 Click the Find Now button to display all of the components
with your find criteria. Then, select a component from the list
and click Add to add it to the components list. See Example of
Using the Find Dialog Box.
6 When you finish searching for components, click Close to
return to the Selection sheet.
You can return to the Components Specifications Selection
sheet at any time while building your simulation, to add or
delete components.

Aspen Plus 11.1 User Guide Specifying Components • 6-5

 Example of Specifying In this example, the Formula and Component Name for component
Components CH4 are automatically retrieved from the databanks. Data for
components CH4 and C4H10 is retrieved from the databanks.
Component C3 is a non-databank component.

Example of Using the In this example, the advanced component Find dialog box is used
Find Dialog Box to locate a component that includes C3 in its formula and has a
boiling point between 200 and 250 K.
To do this:
1 On the Components Specifications Selection sheet, select an
empty component ID field, then click Find.
2 In the Component Name or Formula box, enter C3.
3 Select the Advanced sheet where you can also search for
components based on the chemical class, molecular weight
range, boiling point range and CAS number.
4 In the Boiling Point boxes, enter from 200 to 250 K.
5 Click Find Now.
Aspen Plus searches its databanks for components that contain
the characters C3 in the name or formula and have a Boiling
point between 200 and 250 K and then displays the results in
the bottom half of the window.

6-6 • Specifying Components Aspen Plus 11.1 User Guide

 6 To include a component from the search results in your
simulation, select a component name from the list, and click
Add. From the Find dialog box, you can continue to select
component names and click the Add button to select multiple
components from the search results to be added to your
simulation. You can also modify your search criteria and click
Find Now again to generate new search results.
7 When finished, click Close to return to the Components
Specifications Selection sheet.

Specifying Non-Databank
Components
To define a component that is not in the databanks:
1 From the Data menu, click Components.
2 On the Specifications Selection sheet, enter only the
Component ID.
3 If Aspen Plus finds a match in a databank for the ID you enter,
delete the Formula or Component Name. Aspen Plus then
recognizes the component as a non-databank component.

Aspen Plus 11.1 User Guide Specifying Components • 6-7

 4 You must supply all required property parameters for
non-databank components. You can supply the parameters
yourself using the Properties Data and Parameters forms.
– or –
Combine user-input parameters and data with one or both of
the following:
• Property Estimation to estimate the required parameters
using the Properties Estimation forms
• Data Regression to regress data to obtain the parameters
using the Properties Regression forms

Tip: Use the User-Defined Component Wizard to help you enter

some of the commonly available data, such as normal boiling point
and vapor pressure data.

Using the User- You can use the User-Defined Component Wizard to define the
Defined Component properties needed for conventional, solid, and nonconventional
Wizard components. You can modify the parameters supplied at any time
by returning to the User-Defined Component Wizard or by going
to the forms where the information is saved.
Use this wizard to define components that are not in any pure
component databanks. You can define conventional components,
solid components, and nonconventional components. The wizard
also helps you enter commonly available data for the components,
such as molecular weight, normal boiling point, vapor pressure and
heat capacity data.

Tip: You can also select a databank on the Components

Specifications Selection sheet and give it a different chemical
formula. This special formula can be used to identify the
component in user-written subroutines. This allows property
parameters for the component to be retrieved from the databanks.

Opening the User- To open the User-Defined Component Wizard:

Defined Component
1 From the Data menu, click Components.
Wizard
2 On the Specifications Selection sheet, click the User Defined
button.

6-8 • Specifying Components Aspen Plus 11.1 User Guide

 The User-Defined Component Wizard appears.

Defining a Conventional To define a conventional component, open the user-defined

Component component wizard then:
1 Enter the Component ID. Every component in the flowsheet
must have a Component ID. This ID is used to refer to the
component throughout the simulation.
2 From the Type list, click Conventional.
3 Optionally, enter a formula for the component. The formula
can identify the component in user-written property or unit
operation model subroutines. If the formula for the component
exists in an Aspen Plus databank, a warning message appears.
4 Click Next.
5 Enter the molecular weight and normal boiling point in the
respective boxes on the Conventional Components Basic Data
dialog box.
The molecular structure, molecular weight, and normal boiling
point are the most fundamental information required in group-
contribution and corresponding-states methods used in property
estimation.

Aspen Plus 11.1 User Guide Specifying Components • 6-9

 Note: Molecular weight is required in all simulations. If the
Molecular structure is later entered, the molecular weight used in
the simulation can be calculated from the atoms.
Normal boiling point is not required per se in property
calculations, but is used to estimate many other parameters such as
critical temperature and critical pressure, if they are missing.
Normal boiling point and molecular structure are the most
important information required for property/parameter estimation.

6 Optionally enter the data shown in this table. This data can be
found later on the Properties Parameters Pure Component
USRDEF-1 form.
Physical Property Information
Specific gravity at 60°F
(SG)
Standard enthalpy of Most simulations involve energy balance
formation (DHFORM) calculations so enthalpy is required.
Standard enthalpy of formation of ideal gas at
25°C (DHFORM) is used in the enthalpy
calculation, but is not required unless the
simulation contains chemical reactions, because
DHFORM defaults to zero.
Standard Gibbs energy Enter the standard Gibbs energy of formation of
of formation ideal gas at 25°C (DGFORM) if either:
(DGFORM) • The simulation contains chemical reactions.
• You use the RGibbs unit operation model.
7 If you wish to enter additional property information, such as
molecular structure, vapor pressure or ideal gas heat capacity
data, click Next. The wizard will help you enter property data,
property parameters, and molecular structure or activate
property estimation.
– or –
Click Finish to save the data you have entered and exit the
wizard.

6-10 • Specifying Components Aspen Plus 11.1 User Guide

 8 If you clicked Next to enter additional property data, this
dialog box appears:

9 Click the buttons to enter additional properties or data.

This table provides information about the properties or data:
Type Description
Molecular structure Component Molecular Structure
Molecular structure is required in all group-contribution methods used to
estimate missing property parameters.
If you enter molecular structure, you should also request estimation of
parameters by selecting the Estimate All Missing Parameters From
Molecular Structure check box.
The structure can be modified later if required, on the Properties
Molecular Structure form.
Vapor pressure data Vapor pressure data used to determine extended Antoine vapor pressure
coefficients (PLXANT) from Property Estimation using the Data
method.
If you enter vapor pressure data, you should also request estimation of
parameters by selecting the Estimate All Missing Parameters From
Molecular Structure check box.
The data you enter can be modified later on the Properties Data form
with the name you defined. The data can also be used with Data
Regression.
Extended Antoine Coefficients for the extended Antoine vapor pressure equation
vapor pressure (PLXANT)
coefficients These parameters can be modified later on the Properties Parameters
Pure Components PLXANT-1 form.

Aspen Plus 11.1 User Guide Specifying Components • 6-11

 Type Description
Ideal gas heat capacity Ideal gas heat capacity data used to determine coefficients for the ideal
data gas heat capacity equation (CPIG) from Property Estimation using the
Data method.
If you enter Ideal gas heat capacity data, you should also request
estimation of parameters by selecting the Estimate All Missing
Parameters From Molecular Structure check box.
The data you enter can be modified later on the Properties Data form
with the name you defined.
The data can also be used with Data Regression.
Ideal gas heat capacity Coefficients for the ideal gas heat capacity equation (CPIG)
polynomial coefficients These parameters can be modified later on the Properties Parameters
Pure Components CPIG-1 form.
10 Optionally, select the Estimate All Missing Parameters From
Molecular Structure check box.
11 Click Finish to close the wizard and return to the Components
Specifications Selection sheet.
Defining a Solid To define a solid component, open the User-Defined Component
Component wizard.
1 Enter the Component ID. Every component in the flowsheet
must have a Component ID. This ID is used to refer to the
component throughout the simulation.
2 From the Type list, click Solid.
3 Optionally, enter a formula for the component. The formula
can be used to identify the component in user-written property
or unit operation model subroutines. If the formula for the
component exists in an Aspen Plus databank, a warning
message appears.
4 Click Next.
5 Enter the molecular weight in the Molecular Weight box. This
is required in all simulations.
If you enter the molecular structure later, the molecular weight
used in the simulation can be calculated from atoms.
6 Optionally, enter the Normal boiling point (TB), the Solid
enthalpy of formation, and the Solid free energy of formation.
This data can be found later on the Properties Parameters Pure
Components USRDEF-1 form.

6-12 • Specifying Components Aspen Plus 11.1 User Guide

 Note: Normal boiling point is not required per se in property
calculations, but is used to estimate many other parameters such as
critical temperature and critical pressure if they are missing. If you
have an experimental normal boiling point, you should enter it.
Since most simulations involve energy balance calculations,
enthalpy is required. Solid enthalpy of formation of solids
(DHSFRM) is used in the enthalpy calculations, but is not required
unless the simulation contains chemical reactions, because
DHSFRM defaults to zero.

7 You must also enter the Solid free energy of formation if

either:
• The simulation contains chemical reactions
• You use the RGibbs unit operation model
If you wish to enter additional property information, such as
molecular structure, solid vapor pressure data or solid heat
capacity data, click Next. The wizard will help you enter
property data, property parameters, and molecular structure or
activate property estimation.
– or –
Click Finish to accept the component and exit the wizard.
8 If you clicked Next to enter additional property data, this
dialog box appears.

Aspen Plus 11.1 User Guide Specifying Components • 6-13

 9 This table provides information about the additional properties
or data you can enter.
Type Description
Molecular structure Component Molecular Structure
Molecular structure is required in all group-contribution methods used to
estimate missing property parameters.
If you enter molecular structure, you should also request estimation of
parameters by selecting the Estimate All Missing Parameters From
Molecular Structure check box.
The structure can be modified later on the Properties Molec-Struct form.
Vapor pressure data Vapor pressure data used to determine solid vapor pressure coefficients
(PSANT) from Property Estimation using the Data method.
Vapor pressure is one of the most important properties required for
vapor-solid equilibrium calculations.
The data you enter can be modified later on the Properties Data form
with the name you defined.
If you enter vapor pressure data, you should also request estimation of
parameters by selecting the Estimate All Missing Parameters From
Molecular Structure check box.
The data can also be used with Data Regression.
Antoine vapor pressure Coefficients for the solid vapor pressure equation (PSANT)
coefficients Vapor pressure is one of the most important properties required for
vapor-solid equilibrium calculations.
These parameters can be modified later on the Properties Parameters
Pure Components PSANT-1 form.
Solid heat capacity data Solid heat capacity data used to determine coefficients for the solid heat
capacity equation (CPSPO1) from Property Estimation using the Data
method. (
Solid heat capacity is required to calculate stream enthalpy, for the
CISOLID substream, which is required in all energy balance
calculations.
The data you enter can be modified later on the Properties Data form
with the name you defined.
If you enter solid heat capacity data, you should also request estimation
of parameters by selecting the Estimate All Missing Parameters From
Molecular Structure check box.
The data can also be used with Data Regression.
Solid heat capacity Coefficients for the solid heat capacity equation (CPSPO1)
polynomial coefficients Solid heat capacity is required to calculate stream enthalpy, for the
CISOLID substream, which is required in all energy balance
calculations.
These parameters can be modified later on the Properties Parameters
Pure Components CPSPO1-1 form.

6-14 • Specifying Components Aspen Plus 11.1 User Guide

 10 Optionally, select the Estimate All Missing Parameters From
Molecular Structure check box.
11 Click Finish to close the wizard and return to the Components
Specifications Selection sheet.
Defining a To define a nonconventional component, open the User-Defined
Nonconventional Component wizard, then:
Component
1 Enter the Component ID. Every component in the flowsheet
must have a Component ID. This ID is used to refer to the
component throughout the simulation.
2 Select Nonconventional from the Type list.
3 Click Next.
4 Choose Enthalpy and Density models by selecting from the
Enthalpy and Density lists respectively. The required
component attributes for the selected models are shown below
the model selections.
See Property Methods for Nonconventional Components for
more information on properties for nonconventional
components.
5 Click Finish to close the wizard and return to the Components
Specifications Selection sheet.
The nonconventional property specifications you entered are
saved under the Properties Advanced NC-Props form.

Adding a Component
To add a component to the existing component list:
1 From the Data menu, click Components.
2 On the Specifications Selection sheet, move to the first blank
row.
3 Enter a Component ID, name or formula.
Follow the next two steps if you wish to move the component
within the list.
4 Click the Reorder button to open the Reorder Components
dialog box.
5 Select the new component and move it up in the sequence with
the up arrow to the right of the components list.
Inserting a To insert a component:
Component 1 From the Data menu, click Components.
2 On the Specifications Selection sheet, move to the row where
you want the new component inserted.

Aspen Plus 11.1 User Guide Specifying Components • 6-15

 3 Click the right mouse button and from the menu that appears,
click Insert Row.
4 Enter a Component ID, name or formula in the new row.

Renaming a Component
To rename an existing component:
1 From the Data menu, click Components.
2 On the Specifications Selection sheet, move to the Component
ID box for the component you want to rename.
3 Type over the existing ID.
Aspen Plus prompts you to either delete or rename the existing
component.
4 Select Rename.
The component is renamed on this form and on all other forms
where it appears. No data is lost.
If you select Delete, both the Component ID and its data is
deleted.

Deleting a Component
To delete a component:
1 From the Data menu, click Components.
2 On the Specifications Selection sheet, click the right mouse
button on the row selector for the component you want to
delete
3 Choose Delete Row from the menu that appears.
When you delete a component, all references to the component
on other sheets are automatically deleted.

Reordering the Component List

To reorder the list of components on the Components
Specifications Selection sheet:
1 From the Data menu, click Components.
2 On the Specifications Selection sheet, click the Reorder button.
3 Click the ID of the component you wish to move.
4 Move the component in the appropriate direction, by clicking
the up or down arrows to the right of the list.

6-16 • Specifying Components Aspen Plus 11.1 User Guide

 5 Repeat Steps 3 and 4 until all components are ordered as
desired.
6 Click Close to return to the Specifications Selection sheet
which displays the components with the new order.
Aspen Plus retains all original data and references for the
components on this and other forms.
See Changing Databanks Search Order for information on
changing the order of your databanks globally.

Generating Electrolyte Components

and Reactions
Electrolyte systems involve ionic components and reactions that
must be defined to complete the components specification. You
can use the Electrolyte Wizard to generate ionic reactions and
additional components that might be formed by the reactions.
Before opening the Electrolyte Wizard:
1 From the Data menu, click Components.
2 On the Specifications Selection sheet, enter the component
Water (H2O). Electrolyte systems must have water present.
3 Enter the additional molecular components that define the
system. Some examples are:
System Molecular Components
Sour water system CO2, H2S, O2S (for SO2)
Brine system NACL (use Type = Conventional, do not
identifyType as Solid)
4 Click the Elec Wizard button.
5 On the Electrolytes Wizard dialog box, click Next.
Generating the List of To generate the list of required components:
Components 1 From the left pane of the Data Browser, double-click the
Components folder, then click Specifications.
2 On the Selection form, click the Elec Wizard button.
3 Click Next on the first Electrolyte wizard dialog box that
appears.
4 On the Base Components and Reactions Generation Option
dialog box, select the components from which you want to
generate reactions and ionic species.
5 To move an individual component from the Available
Components list, click an individual component and then click
the single right arrow.

Aspen Plus 11.1 User Guide Specifying Components • 6-17

 To move all components to the Selected components list, click
the double arrow.
6 Turn the other options on or off to match your preferences.
The recommended hydrogen ion type is Hydronium ion H3O+.
You may toggle this to use Hydrogen ion H+.
Select this option To
Include Salt Include solid salts when new species are generated.
Formation Default (On) is to include salts.
Include Water Include water dissociation in the list of generated
Dissociation reactions. Default (Off) is not to include water
Reaction dissociation reaction.
7 Click Next.
On the Generated Species and Reactions dialog box,
Aspen Plus displays lists of aqueous species, salts, and
reactions.
For reactions, arrows pointing in both directions mean ionic
equilibrium or salt precipitation. An arrow pointing in one
direction means complete dissociation. Generated solid salt
components are assigned component IDs with (S) to indicate
the solid type.
8 Remove any unwanted items by selecting them and clicking
Remove. Removing any species will remove all reactions
containing that species.
9 Click Next.
10 On the Simulation Approach dialog box, choose the simulation
approach.
Choose this To have The Calculation
approach method is
True † All calculated results displayed Electrolyte reactions
in terms of the actual species solved simultaneously
present (molecular, ionic, and with phase equilibrium
solid forms of the same equations in unit
electrolyte will each be shown operation models
separately).
Apparent All forms of the same Electrolyte reactions
electrolyte show up as a single solved during property
component evaluations
† The default true component approach is generally preferred for
calculation efficiency.
Both approaches give the same results. You are also shown the
name of the Chemistry ID (GLOBAL) and the Henry-Comps
ID (also GLOBAL).

6-18 • Specifying Components Aspen Plus 11.1 User Guide

 11 Click Next to create the Chemistry and Henry-Comps forms
and go on to the Summary sheet.
The Summary dialog box summarizes the modifications made
by the Electrolyte Wizard to your properties, components,
databanks, and chemistry specifications. Review or modify the
generated specifications for Henry components or for
electrolyte reactions on the Summary dialog box.
Reviewing Generated To review or modify the Henry Components list generated by the
Henry Components Electrolytes Wizard:
1 Click the Review Generated Henry-Comps List button on the
Summary dialog box.
2 On the Henry Components Global dialog box, select
components and use the right and left arrow buttons to add or
remove from the Selected Components list.
3 Click the X in the upper right corner of the dialog box when
finished to close the dialog box.
4 Note that Henry component specifications can be modified
later using the Components Henry-Comps forms.
Reviewing Generated To review or modify the electrolyte reactions generated by the
Electrolyte Reactions Electrolyte Wizard:
1 Click the Modify/Add Reactions button on the Summary dialog
box.
2 On the Modify/Add Reactions Global dialog box, the
Stoichiometry sheet displays the reactions, their type, and their
stoichiometry. To modify reaction stoichiometry for a reaction,
select it from the list, and click Edit. When you finish
modifying the stoichiometry, click Close.
3 Use the Equilibrium Constants sheet to enter, review, or
change the Equilibrium constants, their concentration basis, or
the temperature approach to equilibrium. To view or modify
equilibrium constant information for other reactions, select the
desired reaction from the Equilibrium Reaction list.
4 Click the X in the upper right corner of the dialog box when
finished.
Electrolyte chemistry specifications can be modified later using
the Reactions Chemistry forms.
After reviewing the information on the Summary dialog box,
click Finish to save all the changes to the appropriate forms
and to return to the Components Specifications Selection sheet.

Aspen Plus 11.1 User Guide Specifying Components • 6-19

 Identifying Solid Components
To identify components as solids:
1 From the Data menu, click Components.
2 On the Specifications Selection sheet, specify the Component
ID.
3 If the component is a databank component, specify the formula
and component name. For more information, see Specifying
Components from a Databank.
4 In the Type box, specify Solid for a conventional solid or
Nonconventional for a nonconventional solid.
Conventional Solids Conventional solids are pure materials. These solids may be
present in mixtures in phase and/or chemical equilibrium,
including electrolyte salts. For example, NaCl can be a
conventional solid precipitating from an electrolyte solution. These
solids are present in the MIXED substream.
Conventional solids are characterized in terms of properties, such
as:
• Molecular weight
• Vapor pressure
• Critical properties
Conventional solids that do not participate in phase equilibrium
calculations are conventional inert solids. Conventional inert
solids:
• Can participate in chemical equilibrium, modeled by the
RGibbs unit operation model. None of the other unit operation
models handles solid equilibrium.
• Are assigned the substream type CISOLID to distinguish them
from other conventional solids
Nonconventional Nonconventional solids are materials characterized in terms of
Solids empirical factors called component attributes. Component
attributes represent component composition by one or more
constituents.
Nonconventional solids never participate in phase or chemical
equilibrium calculations. Aspen Plus always assigns substreams of
type NC to nonconventional solids.
Examples of nonconventional solids are coal and wood pulp.

6-20 • Specifying Components Aspen Plus 11.1 User Guide

 About Component Attributes
Component attributes represent component composition in terms
of one or more sets of constituents. For example, coal is often
characterized in terms of ultimate and proximate analyses, as well
as several other types of analysis.
You can assign component attributes to non-solid conventional
components (Type is Conventional).
The standard Aspen Plus property models and unit operation
models do not use these attributes in any calculations. But
assigning attributes lets you keep track of properties that do not
affect material and energy balance calculations. For example, you
could assign component attributes to account for the color or odor
of a component. You can use component attributes in Fortran
subroutines for property models or unit operation calculations that
you write.
The following table describes available component attributes:
Component Description Elements
Attribute
PROXANAL Proximate 1 Moisture (moisture-included basis)
analysis, weight % 2 Fixed carbon (dry basis)
3 Volatile Matter (dry basis)
4 Ash (dry basis)
ULTANAL Ultimate analysis, 1 Ash (dry basis)
weight % 2 Carbon (dry basis)
3 Hydrogen (dry basis)
4 Nitrogen (dry basis)
5 Chlorine (dry basis)
6 Sulfur (dry basis)
7 Oxygen (dry basis)
SULFANAL Forms of sulfur 1 Pyritic (dry basis)
analysis, weight % 2 Sulfate (dry basis)
of original coal 3 Organic (dry basis)
GENANAL General 1 Constituent 1
constituent 2 Constituent 2
analysis, weight % .
.
20 Constituent 20
For information on entering component attribute values in streams,
see Specifying Component Attribute Values.
Assigning Attributes To assign attributes to a conventional or conventional solid
to Conventional component:
Components 1 From the Data menu, click Components.
2 In the left pane of the Data Browser, click Attr-Comps.

Aspen Plus 11.1 User Guide Specifying Components • 6-21

 3 On the Selection sheet, choose a Component ID from the
Component list. You may select more components by listing
them below the first one.
4 Select a component attribute from the Attributes list. You may
list multiple component attributes for each component.
In most cases, the conventional components to which you assign
attributes will be solids (Type is Solid on the Components
Specifications Selection sheet).
For information on entering component attribute values in streams,
see Specifying Component Attribute Values.

Assigning Attributes Attributes for nonconventional components are automatically

to Nonconventional assigned when you select nonconventional enthalpy and density
Components models on the Properties Advanced NC-Props form, or use the
User-Defined Components wizard with a nonconventional
component.
You can assign additional component attributes to nonconventional
components. To do this:
1 From the Data menu, select Physical Properties.
2 In the left pane of the Data Browser, double-click the
Advanced folder
3 Click NC-Props.
4 Select a component from the Component list.
5 Enter the enthalpy and density model names for that
component, if this has not already been done.
The required component attributes for the selected models will
be automatically listed at the bottom of the sheet.
6 Add component attributes to the Required Component
Attributes For The Selected Models box by selecting them
from the list.

Specifying Supercritical (HENRY)

Components
In the activity-coefficient approach for computing vapor-liquid
equilibrium, Henry’s law is used to represent the behavior of
dissolved gases or other supercritical components.
To use Henry’s law in Aspen Plus, you must define one or more
sets of supercritical (or Henry’s) components.

6-22 • Specifying Components Aspen Plus 11.1 User Guide

 For Henry’s law to be used during property calculations, you must
also specify a Henry Components ID on one of these sheets:
• Properties Specifications Global sheet
• Properties Specifications Flowsheet Sections sheet
• A unit operation BlockOptions Properties sheet
• A Property Analysis Properties sheet
Aspen Plus has built-in Henry’s law parameters for a large number
of component pairs. The solvents are water and other organic
compounds.
These parameters are used automatically on the Properties
Parameters Binary Interaction HENRY-1 form when you specify a
property method that uses Henry Comps. For components that do
not have Henry’s law parameters available, you must enter Henry’s
law parameters on the Properties Parameters Binary Interaction
HENRY-1 form.
Defining a Set of To define a set of Henry’s components:
Henry’s Components 1 From the Data menu, click Components.
2 In the left pane of the Data Browser, click Henry Comps.
3 On the Henry Components Object Manager, click New.
4 In the Create New ID dialog box, enter an ID for a new list of
Henry Components, or accept the default ID.
5 Specify the Component IDs in Selected components list.
Select the components to include as Henry components from
the Available components list and use the right arrow button to
move them into the Selected components list. The left arrow
can be used to remove components from the Selected
components list. The double arrow can be used to move all of
the components in a list at one time.

Aspen Plus 11.1 User Guide Specifying Components • 6-23

 Example of Specifying In this example, N2, CO2, and H2S are identified as Henry’s
Henry’s Components components. BZ, CH, and H2O are not selected as Henry
components.

Specifying UNIFAC Groups

Use the Components UNIFAC Groups Selection sheet to identify
UNIFAC groups or to introduce new groups. If you want to enter
UNIFAC group parameters or group-group interaction parameters,
you must assign an ID to each group. Use the group ID on the
Properties Parameters UNIFAC Group form or UNIFAC Group
Binary form to enter group parameters.
To specify UNIFAC groups:
1 From the Data menu, choose Components.
2 In the left pane of the Data Browser, click UNIFAC Groups.
3 On the UNIFAC Groups Selection sheet, type a name for the
group in the Group ID box. Every group needs a name that can
be referenced on other forms.
4 Select a number from the Group number list. As you scroll, a
brief description of each group appears in the description area.
If you want to define a new UNIFAC group, type in a number
between 4000 and 5000 in the Group number box.

6-24 • Specifying Components Aspen Plus 11.1 User Guide

 Defining Component Groups
You can specify a group of components to be converged in a tear
stream.
A component group consists of either a:
• List of components
• Range of components from the Components Specifications
Selection sheet
• Combination of component lists and ranges
Defining a To define a component group:
Component Group 1 From the Data menu, click Components.
2 In the left pane of the Data Browser, click Comp-Group.
3 In the Component Group Object Manager, click New.
4 In the Create New ID dialog box, enter an ID for the new
Component Group or accept the default.
A component group consists of either a:
• List of components
• Range of components from the Components Specifications
Selection sheet
• Combination of component lists and ranges
5 On the Component List sheet, choose a substream from the
Substream list.
6 Specify the components to be included in the component
group.
Select the components to include from the Available
components list and use the right arrow button to move them
into the Selected components list. The left arrow can be used to
remove components from the Selected components list. The
double arrows can be used to move all of the components in a
list at one time.
Alternatively, you can click the Component Range sheet, and
enter a range of components that represent your component
group.
7 If you want to create a component group containing
components from more than one substream, repeat steps 5 and
6.

Aspen Plus 11.1 User Guide Specifying Components • 6-25

 Using a component group can aid tear stream convergence when
Component Groups
you use the NEWTON, BROYDEN, or SQP convergence methods
and Tear Stream
and your flowsheet has all of the following:
Convergence
• Recycles
• A large number of components
• Some components known to have zero or constant flow rates
A component group reduces the problem matrix size and the
number of numerical derivative perturbations (if performed). This
makes convergence faster and more stable.
To use a component group for a convergence method, you must
specify the Component Group ID in one of the following sheets:
• Convergence Convergence Input Tear Streams sheet
• Convergence Conv-Options Defaults Tear Convergence sheet

6-26 • Specifying Components Aspen Plus 11.1 User Guide

 CHAPTER 7

Physical Property Methods

Overview
Choosing the appropriate property method is often the key decision
in determining the accuracy of your simulation results. For help on
property methods, see one of the following topics:
• What is a property method
• Available property methods
• Choosing a property method
• Creating new property methods
• Specifying the global property method
• Specifying a property method for a flowsheet section
• Specifying a local property method
• Defining supercritical components
• Specifying properties for the free-water phase
• Special method for K-value of water in the organic phase
• Specifying electrolyte calculations
• Modifying property methods
• Property methods for nonconventional components

What Is a Property Method?

A property method is a collection of methods and models that
Aspen Plus uses to compute thermodynamic and transport
properties.

Aspen Plus 11.1 User Guide Physical Property Methods • 7-1

 The thermodynamic properties are:
• Fugacity coefficient (K-values)
• Enthalpy
• Entropy
• Gibbs free energy
• Volume
The transport properties are:
• Viscosity
• Thermal conductivity
• Diffusion coefficient
• Surface tension
Aspen Plus includes a large number of built-in property methods
that are sufficient for most applications. However, you can create
new property methods to suit your simulation needs.

Creating New Property Methods

To create a new property method:
1 Choose an existing property method that closely matches your
desired new method.
2 Alter it according to the instructions in Modifying Property
Methods.

Available Property Methods

You must select one or more Property Methods to model the
properties of specific systems in your flowsheet. Each property
method has a unique approach to representing K-values.
The following topics list all of the property methods available in
Aspen Plus.
You can modify these existing methods or create new methods.
For more information, see Modifying Property Methods.
Ideal Property Ideal Property Method K-Value Method
Methods
IDEAL Ideal Gas/Raoult’s law/Henry’s law
SYSOP0 Release 8 version of Ideal Gas/Raoult’s law

7-2 • Physical Property Methods Aspen Plus 11.1 User Guide

 Equation of State Equation-of-State K-Value Method
Property Methods Property Method
BWR-LS BWR Lee-Starling
LK-PLOCK Lee-Kesler-Plöcker
PENG-ROB Peng-Robinson
PR-BM Peng-Robinson
with Boston-Mathias alpha function
PRWS Peng-Robinson
with Wong-Sandler mixing rules
PRMHV2 Peng-Robinson
with modified Huron-Vidal mixing rules
PSRK Predictive Redlich-Kwong-Soave
RKSWS Redlich-Kwong-Soave
with Wong-Sandler mixing rules
RKSMHV2 Redlich-Kwong-Soave
with modified Huron-Vidal mixing rules
RK-ASPEN Redlich-Kwong-ASPEN
RK-SOAVE Redlich-Kwong-Soave
RKS-BM Redlich-Kwong-Soave
with Boston-Mathias alpha function
SR-POLAR Schwartzentruber-Renon

Activity Coefficient Activity Coefficient Liquid Phase Activity Vapor Phase Fugacity
Property Methods Property Method Coefficient Method Coefficient Method
B-PITZER Bromley-Pitzer Redlich-Kwong-Soave
ELECNRTL Electrolyte NRTL Redlich-Kwong
ENRTL-HF Electrolyte NRTL HF Hexamerization
model
ENRTL-HG Electrolyte NRTL Redlich-Kwong
NRTL NRTL Ideal gas
NRTL-HOC NRTL Hayden-O'Connell
NRTL-NTH NRTL Nothnagel
NRTL-RK NRTL Redlich-Kwong
NRTL-2 NRTL (using dataset 2) Ideal gas
PITZER Pitzer Redlich-Kwong-Soave
PITZ-HG Pitzer Redlich-Kwong-Soave
UNIFAC UNIFAC Redlich-Kwong
UNIF-DMD Dortmund-modified Redlich-Kwong-Soave
UNIFAC
UNIF-HOC UNIFAC Hayden-O'Connell
UNIF-LBY Lyngby-modified Ideal gas
UNIFAC

Aspen Plus 11.1 User Guide Physical Property Methods • 7-3

 Activity Coefficient Liquid Phase Activity Vapor Phase Fugacity
Property Method Coefficient Method Coefficient Method
UNIF-LL UNIFAC for Redlich-Kwong
liquid-liquid systems
UNIQUAC UNIQUAC Ideal gas
UNIQ-HOC UNIQUAC Hayden-O’Connell
UNIQ-NTH UNIQUAC Nothnagel
UNIQ-RK UNIQUAC Redlich-Kwong
UNIQ-2 UNIQUAC (using Ideal gas
dataset 2)
VANLAAR Van Laar Ideal gas
VANL-HOC Van Laar Hayden-O’Connell
VANL-NTH Van Laar Nothnagel
VANL-RK Van Laar Redlich-Kwong
VANL-2 Van Laar (using dataset Ideal gas
2)
WILSON Wilson Ideal gas
WILS-HOC Wilson Hayden-O’Connell
WILS-NTH Wilson Nothnagel
WILS-RK Wilson Redlich-Kwong
WILS-2 Wilson (using dataset 2) Ideal gas
WILS-HF Wilson HF Hexamerization
model
WILS-GLR Wilson (ideal gas and Ideal gas
liquid enthalpy reference
state)
WILS-LR Wilson (liquid enthalpy Ideal gas
reference state)
WILS-VOL Wilson with volume Redlich-Kwong
term

7-4 • Physical Property Methods Aspen Plus 11.1 User Guide

 Property Methods for Property Methods for K-Value Method System
Special Systems Special Systems
AMINES Kent-Eisenberg amines H2S, CO2, in MEA,
model DEA, DIPA, DGA
solution
APISOUR API sour water model Sour water with NH3,
H2S, CO2
BK-10 Braun K-10 Petroleum
SOLIDS Ideal Gas/Raoult’s Pyrometallurgical
law/Henry’s law/solid
activity coefficients
CHAO-SEA Chao-Seader Petroleum
corresponding states
model
GRAYSON Grayson-Streed Petroleum
corresponding states
model
STEAM-TA ASME steam table Water/steam
correlations
STEAMNBS NBS/NRC steam table Water/steam
equation of state

Choosing a Property Method

This topic contains information about choosing the best property
method for your simulation including:
• Recommended property methods for different applications
• Guidelines for choosing a property method
• Specifying the global property method
• Specifying a property method for a flowsheet section
• Specifying a local property method
Recommended See one of the following topics to see a table showing the
Property Methods for recommended property methods for a simulation of that type.
Different Applications

Oil and Gas Production Application Recommended

Property Methods
Reservoir systems PR-BM, RKS-BM
Platform separation PR-BM, RKS-BM
Transportation of oil and gas by pipeline PR-BM, RKS-BM

Aspen Plus 11.1 User Guide Physical Property Methods • 7-5

 Refinery Application Recommended
Property Methods
Low pressure applications BK10, CHAO-SEA,
(up to several atm) GRAYSON
Vacuum tower,
atmospheric crude tower
Medium pressure applications CHAO-SEA,
(up to several tens of atm) GRAYSON,
Coker main fractionator, PENG-ROB,
FCC main fractionator RK-SOAVE
Hydrogen-rich applications GRAYSON,
Reformer, Hydrofiner PENG-ROB,
RK-SOAVE
Lube oil unit, De-asphalting unit PENG-ROB,
RK-SOAVE

Gas Processing Application Recommended Property Methods

Hydrocarbon separations PR-BM, RKS-BM, PENG-ROB,
Demethanizer RK-SOAVE
C3-splitter
Cryogenic gas processing PR-BM, RKS-BM, PENG-ROB,
Air separation RK-SOAVE
Gas dehydration with glycols PRWS, RKSWS, PRMHV2,
RKSMHV2, PSRK, SR-POLAR
Acid gas absorption with PRWS, RKSWS, PRMHV2,
Methanol (RECTISOL) RKSMHV2, PSRK, SR-POLAR
NMP (PURISOL)
Acid gas absorption with ELECNRTL
Water
Ammonia
Amines
Amines + methanol
(AMISOL)
Caustic
Lime
Hot carbonate
Claus process PRWS, RKSWS, PRMHV2,
RKSMHV2, PSRK, SR-POLAR

7-6 • Physical Property Methods Aspen Plus 11.1 User Guide

 Petrochemicals Application Recommended Property Methods
Ethylene plant CHAO-SEA, GRAYSON
Primary fractionator
Light hydrocarbons PENG-ROB, RK-SOAVE
Separation train
Quench tower
Aromatics WILSON, NRTL, UNIQUAC and their
BTX extraction variances
Substituted hydrocarbons PENG-ROB, RK-SOAVE
VCM plant
Acrylonitrile plant
Ether production WILSON, NRTL, UNIQUAC and their
MTBE, ETBE, TAME variances
Ethylbenzene and styrene plants PENG-ROB, RK-SOAVE
–or–
WILSON, NRTL, UNIQUAC and their
variances
Terephthalic acid WILSON, NRTL, UNIQUAC and their
variances (with dimerization in acetic
acid section)
See Guidelines for Choosing a Property Method for Polar Non-
Electrolyte Systems to see diagrams for recommendations based on
pressure and vapor phase association.
Chemicals Application Recommended Property Methods
Azeotropic separations WILSON, NRTL, UNIQUAC and their
Alcohol separation variances
Carboxylic acids WILS-HOC, NRTL-HOC,
Acetic acid plant UNIQ-HOC
Phenol plant WILSON, NRTL, UNIQUAC and their
variances
Liquid phase reactions WILSON, NRTL, UNIQUAC and their
Esterification variances
Ammonia plant PENG-ROB, RK-SOAVE
Fluorochemicals WILS-HF
Inorganic Chemicals ELECNRTL
Caustic
Acids
Phosphoric acid
Sulphuric acid
Nitric acid
Hydrochloric acid
Hydrofluoric acid ENRTL-HF
See Guidelines for Choosing a Property Method to see
recommendations based on pressure and vapor phase association.

Aspen Plus 11.1 User Guide Physical Property Methods • 7-7

 Coal Processing Application Recommended Property
Methods
Size reduction crushing, grinding SOLIDS
Separation and cleaning sieving, SOLIDS
cyclones, precipitation, washing
Combustion PR-BM, RKS-BM
(combustion databank)
Acid gas absorption with PRWS, RKSWS, PRMHV2,
Methanol (RECTISOL) RKSMHV2, PSRK,
NMP (PURISOL) SR-POLAR
Acid gas absorption with ELECNRTL
Water
Ammonia
Amines
Amines + methanol (AMISOL)
Caustic
Lime
Hot carbonate
Coal gasification and liquefaction See Synthetic Fuels table.

Power Generation Application Recommended Property Methods

Combustion PR-BM, RKS-BM (combustion
Coal databank)
Oil
Steam cycles STEAMNBS, STEAM-TA
Compressors
Turbines
Acid gas absorption See gas processing.

Synthetic Fuel Application Recommended Property Methods

Synthesis gas PR-BM, RKS-BM
Coal gasification PR-BM, RKS-BM
Coal liquefaction PR-BM, RKS-BM, BWR-LS

7-8 • Physical Property Methods Aspen Plus 11.1 User Guide

 Environmental Application Recommended Property Methods
Solvent recovery WILSON, NRTL, UNIQUAC and
their variances
(Substituted) hydrocarbon WILSON, NRTL, UNIQUAC and
stripping their variances
Acid gas stripping from PRWS, RKSWS, PRMHV2,
Methanol (RECTISOL) RKSMHV2, PSRK, SR-POLAR
NMP (PURISOL)
Acid gas stripping from: ELECNRTL
Water
Ammonia
Amines
Amines + methanol
(AMISOL)
Caustic
Lime
Hot carbonate
Acids ELECNRTL
Stripping
Neutralization
See Guidelines for Choosing a Property Method for Polar Non-
Electrolyte Systems to see diagrams for recommendations based on
pressure and vapor phase association.
Water and Steam Application Recommended Property Methods
Steam systems STEAMNBS, STEAM–TA
Coolant

Mineral and Metallurgical Application Recommended Property Methods

Processes Mechanical processing: SOLIDS
Crushing
Grinding
Sieving
Washing
Hydrometallurgy ELECNRTL
Mineral leaching
Pyrometallurgy SOLIDS
Smelter
Converter

Aspen Plus 11.1 User Guide Physical Property Methods • 7-9

 Guidelines for These diagrams show the process for choosing a property method.
Choosing a Property Non-electrolyte
Method *
Polar

Electrolyte
ELECNRTL
Real
PENG-ROB, RK-SOAVE,
LK-PLOCK, PR-BM,
RKS-BM
Nonpolar > 1atm
CHAO-SEA, GRAYSON,
BK10
Pseudo &
Real

Vacuum
BK10, IDEAL

Polarity Electrolyte

Real or Pseudocomponents Pressure

* See the next figure to continue.

Guidelines for Choosing
a Property Method for Y NRTL, UNIQUAC,
Polar Non-Electrolyte and their variances

Systems Y

N WILSON, NRTL, UNIQUAC,

P < 10 bar and their variances
Y
UNIF-LL

N
Polar,
non-electrolyte
N UNIFAC, UNIF-LBY,
UNIF-DMD

Y
SR-POLAR, PRWS,
RKSWS, PRMHV2,
P > 10 bar RKSMHV2

N
PSRK, RKSMHV2

Pressure Liquid-Liquid

Interaction parameters available

* See the next figure to continue.

7-10 • Physical Property Methods Aspen Plus 11.1 User Guide

 Guidelines for Choosing Hexamers
WILS-HF
an Activity Coefficient
Property Method
DP?

WILS-NTH, WILS-HOC
Y Dimers NRTL-NTH, NRTL-HOC
UNIQ-NTH, UNIQ-HOC
WILSON UNIF-HOC
NRTL VAP?
UNIQUAC
UNIFAC

N
WILSON, WILS-RK,
WILS-LR, WILS-GLR,
NRTL, NRTL-RK, NRTL-2
UNIQUAC, UNIQ-RK,
UNIQ-2, UNIFAC, UNIF-LL,
UNIF-LBY, UNIF-DMD

Vapor phase association

Degrees of polymerization

Specifying the Global Aspen Plus uses the global property method for all property
Property Method calculations, unless you specify a different property method for a
specific flowsheet section, unit operation block, or property
analysis.
To specify the global property method:
1 From the Data menu, click Properties.
2 On the Global sheet, in the Property Method list box, specify
the property method.
3 You can also use the Process Type list box to help you select
an appropriate property method. In the Process Type list box,
select the type of process you want to model. Each process type
has a list of recommended property methods.
4 In the Base Method list box, select a base property method.
5 If you are using an activity coefficient property method and
want to use Henry’s law for supercritical components, specify
the Henry component list ID in the Henry Components list box.
6 If you have a petroleum application that requires free water
calculations, specify the property method for the free water
phase in the Free-Water Method list box and water solubility
option in the Water Solubility list box
7 For electrolyte applications, you must select an electrolytic
property method, then select the Chemistry ID in the Chemistry
ID list box. You can also specify the electrolyte computation
method in the Use True-Components check box.

Aspen Plus 11.1 User Guide Physical Property Methods • 7-11

 Specifying a Property Use flowsheet sections to simplify the assignment of property
methods when you are using more than one property method in a
Method for a
Flowsheet Section simulation. For example, you could divide a flowsheet into high
pressure and low pressure sections, and assign an appropriate
property method to each section.
To specify a property method for a flowsheet section:
1 From the Data menu, click Properties
2 On the Flowsheet Sections sheet, select a flowsheet section
from the Flowsheet Section ID list box.
3 Specify the property method in the Property Method list box.
4 You can also use the Process Type list box to help you select
an appropriate property method. In the Process Type list box,
select the type of process you want to model. Each process type
has a list of recommended property methods.
5 In the Base Method list box, select a base property method.
6 If you are using an activity coefficient property method and
want to use Henry’s Law for supercritical components, specify
the Henry component list ID in the Henry Components list box.
See Defining Supercritical Components.
7 For petroleum applications, you may want free water
calculations. Specify the free water property method in the
Free-Water Method list box and water solubility option in the
Water Solubility list box. See Using Free Water Calculations.
8 For electrolyte applications, you must select an electrolytic
property method, then select the Chemistry ID in the Chemistry
ID list box. You can also specify the electrolyte computation
method in the Use True-Components check box.
Specifying a Local You can override the global property method by specifying a local
Property Method property method on:
• The BlockOptions Properties sheet, for a unit operation block
• The Properties sheet, for a Properties Analysis
The specifications you enter on the Properties sheet apply only to
that unit operation block or property analysis.

7-12 • Physical Property Methods Aspen Plus 11.1 User Guide

 For the following unit operation models, you can specify different
property methods for streams or sections in the block:
Model Sheet Allows you to specify
property methods for
Decanter Decanter Properties Liquid1 and liquid2 phases
Phase Property
RadFrac RadFrac Properties Column segments, decanters,
Property Sections thermosyphon reboiler
RGibbs RGibbs Setup ProductsEach phase
MultiFrac MultiFrac Properties Column segments
Property Sections
PetroFrac PetroFrac Properties Column segments for main
Property Sections column
PetroFrac Stripper Column segments for stripper
Properties Property
Sections
HeatX HeatX BlockOptions Hot and cold sides of the
Properties exchanger
MHeatX MHeatX BlockOptions Each stream in the exchanger
Properties
RPlug RPlug BlockOptions Reactant and external coolant
Properties streams
Use the Properties Specifications Referenced sheet to enter
additional property methods for use in the unit operation blocks or
in property analysis calculations.
When performing an interactive property analysis, you can select
any property method that has been specified on the Properties
Specifications Referenced sheets.

Defining Supercritical Components

Activity coefficient property methods handle supercritical
components present in the liquid phase by the asymmetric
convention for activity coefficient normalization (Henry’s law).

Aspen Plus 11.1 User Guide Physical Property Methods • 7-13

 To use Henry’s law for supercritical components:
1 Select an appropriate property method. These property methods
allow Henry’s law:
B-PITZER NRTL-2 UNIQUAC VANL-2
IDEAL PITZER UNIQ-HOC WILSON
ELECNRTL PITZ-HG UNIQ-NTH WILS-HF
ENRTL-HF SOLIDS UNIQ-RK WILS-HOC
ENRTL-HG UNIFAC UNIQ-2 WILS-NTH
NRTL UNIF-DMD VANLAAR WILS-RK
NRTL-HOC UNIF-HOC VANL-HOC WILS-2
NRTL-NTH UNIF-LBY VANL-NTH WILS-GLR
NRTL-RK UNIF-LL VANL-RK WILS-LR
2 Define a Henry’s component group using the Henry Comps
forms.
3 Enter the ID of the Henry’s component group on the Properties
Specifications Global sheet (Use the Flowsheet Sections sheet
for flowsheet sections specifications) or BlockOptions
Properties sheet (local specification for unit operation models).
For more information on Henry’s law, see Aspen Plus Physical
Property Methods and Models, Chapter 2.
Equation-of-state property methods do not require special
treatment for supercritical components.

Using Free Water Calculations

For water-hydrocarbon applications, two liquid phases often
coexist with a vapor phase. Aspen Plus has two approaches for
modeling these types of vapor-liquid-liquid equilibrium
simulations:
• Rigorous three-phase calculations
• Calculations with a free water approximation. When you use
free water approximation, Aspen Plus assumes the water phase
is pure liquid water (free water).
Free water calculations are:
• Normally adequate for water-hydrocarbon systems, where the
hydrocarbon solubility in the water phase is generally
negligible.
• Always faster than rigorous three-phase calculations, and
require minimal physical property data.

Note: You can also specify free water calculations on a local basis
in individual streams and blocks.

7-14 • Physical Property Methods Aspen Plus 11.1 User Guide

 Specifying Properties When you use the free water approximation, you must specify the
for the Free-Water property method to be used for the free-water phase. This property
Phase method calculates all thermodynamic and transport properties for
the free-water phase.
To choose a property method:
1 Go to the Properties Specifications Global sheet or Flowsheet
Sections sheet, or the BlockOptions Properties sheets for a unit
operation model.
2 In the Free-Water Method list box, select one:
Property Description Merits
Method
STEAM-TA 1967 ASME steam table -
correlations (default)
STEAMNBS NBS/NRC steam table correlations More accurate than
the ASME steam
table
IDEAL or For systems at low or moderate More efficient
SYSOP0 pressures calculations than
STEAM-TA or
STEAMNBS
Special Method for K- The global property method calculates the K-value of water unless
Value of Water in the you specify another method.
Organic Phase
In free water calculations, you can use a special method to
calculate the K-value of water in the organic phase:

wϕ w
*,l
Kw =
ϕ wv
Where:
γw = Activity coefficient of water in the organic
phase
ϕ w *,l = Fugacity coefficient of pure liquid water
calculated using the free-water phase property
method
ϕ wv = Fugacity coefficient of water in the vapor phase
mixture

Aspen Plus 11.1 User Guide Physical Property Methods • 7-15

 To select a calculation method for γ w and ϕ w :
v
How to Select a
Calculation Method
1 Go to the Properties Specifications Global or the BlockOptions
Properties sheet for a unit operation model.
2 In the Water Solubility list box, select one:
Water γw v
Solubility Calculates from ϕ
w
Option Calculates from

0 1 Free-water property
γw = sol method
xw
1 1 Primary property
γw = sol method
xw
2 γ w = f (T , x w ) Primary property
method
1
where γ w = xw = xw
sol
when
sol
xw
3† The K-value of water is calculated by the primary property
method
† Water solubility option 3 is not recommended unless binary
interaction parameters regressed from liquid-liquid equilibrium
data are available.
sol
Note: X w is solubility of water in the organic phase, calculated
using the water-solubility correlation. (WATSOL).

Specifying Electrolyte Calculations

To model an electrolyte system, you must:
• Use an electrolyte property method. ELECNRTL is
recommended. Other property methods are PITZER, B-
PITZER, ENRTL-HF, ENRTL-HG AND PITZ-HG.
• Define the solution chemistry on the Reactions Chemistry
Stoichiometry sheet.
• Select the solution chemistry ID to be used with the electrolyte
property method in the Chemistry ID list box on the Properties
Specifications Global sheet or the BlockOptions Properties
sheet of a unit operation model.
• Specify either the true or apparent component simulation
approach using the Use True Components check box.

7-16 • Physical Property Methods Aspen Plus 11.1 User Guide

 Use the button on the Components Specifications Selection sheet
to open the Electrolytes Wizard which can set up all of these
specifications for you.

Modifying Property Methods

Property methods are defined by calculation paths (routes) and
physical property equations (models), which determine how
properties are calculated.
Built-in property methods are sufficient for most applications.
However, you can modify a property method to include, for
example:
• A route that calculates liquid fugacity coefficients without the
Poynting correction
• A route that calculates liquid enthalpy without heat of mixing
• A different equation-of-state model for all vapor phase
property calculations
• A different set of parameters (for example, dataset 2) for an
activity coefficient model
• A route that calculates liquid molar volume using the Rackett
model, instead of a cubic equation of state
Modifying a Built-in You can make common modifications to a property method on the
Property Method Properties Specifications Global sheet or the Flowsheet Section
sheet:
1 From the Data menu, click Properties.
2 On the Global or the Flowsheet Sections sheet, select the
property method you want to modify in the Base Method list
box.
3 Check the Modify Property Models check box.
4 When prompted, enter a new name for your modified property
method and click OK. Although it is not required, it is highly
recommended that you specify a new name for the modified
property method.

Aspen Plus 11.1 User Guide Physical Property Methods • 7-17

 You can make these modifications:
In this box To do this
Vapor EOS Select an equation of state model for all vapor
phase properties calculations
Liquid gamma Select an activity coefficient model
Data set Specify parameter data set number for the EOS or
liquid gamma model
Liquid enthalpy Select a route to calculate liquid mixture enthalpy
Liquid volume Select a route to calculate liquid mixture volume
Poynting correction Specify whether or not the Poynting correction is
used in calculating liquid frugacity coefficients.
Heat of mixing Specify whether or not heat of mixing is included
in liquid mixture enthalpy.
Making Advanced For additional and advanced modifications, use the Properties
Modifications to a Property Methods form:
Property Method 1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, double-click the Property
Methods folder.
The Object Manager appears.
3 Select the Property Method you want to modify and click Edit.
– or –
To create a new property method, click New, then specify the
new property method.
4 Use the Routes sheet to specify property routes and the Models
sheet to specify property models.
About the Routes Sheet The Routes sheet displays the base property method, the properties
and route ID used to calculate each property. For convenience,
properties are categorized as follows:
• Pure thermodynamic
• Mixture thermodynamic
• Pure transport
• Mixture transport
To modify a route in the property method, select a desired route in
the Route ID box. You can also:
Click this button To do this
Create Create a new route for the selected property
Edit Modify a selected route
View View the structure of a selected route. The structure
shows exactly how the route is calculated and by
what methods and models.

7-18 • Physical Property Methods Aspen Plus 11.1 User Guide

 About the Models Sheet The Models sheet displays the property models used for
calculation of the properties in the property method. To modify a
property model, select the desired model in the Model Name
column.
This table describes the different boxes on the Models sheet:
Use this box To specify
Model name The model you want to use to calculate each property
Data set The data set number for the parameters for the model
For a given model:
Use this button To get
Affected properties A list of properties affected by the model. Models
such as equation of state are used to calculate more
than one property.
Option codes Model option codes. Option codes are used to
specify special calculation options.

Property Methods for

Nonconventional Components
The only properties calculated for nonconventional components
are enthalpy and density. The folllowing tables list the models
available. See Aspen Plus Physical Property Methods and Models,
Chapter 3, for detailed descriptions of these models.
Nonconventional This table shows the general models:
Property Models Property Model Attribute Requirements
ENTHALPY ENTHGEN GENANAL
DENSITY DNSTYGEN GENANAL
This table shows the special models for coal and coal-derived
materials:
Property Model Attribute Requirements
ENTHALPY HCOALGEN ULTANAL, PROXANAL, SULFANAL
HCJ1BOIE ULTANAL, PROXANAL, SULFANAL
HCOAL-R8 ULTANAL, PROXANAL, SULFANAL
HBOIE-R8 ULTANAL, PROXANAL, SULFANAL
DENSITY DCOALIGT ULTANAL, SULFANAL
DCHARIGT ULTANAL, SULFANAL
The tabular models for nonconventional components are:
Property Model
ENTHALPY ENTHLTAB
DENSITY DNSTYTAB

Aspen Plus 11.1 User Guide Physical Property Methods • 7-19

 To specify the models used to calculate physical properties for
Specifying the
nonconventional components:
Models for
Nonconventional 1 From the Data menu, click Properties.
Components 2 Double-click the Advanced folder.
3 Select the NC-Props form.
4 Select a component in the Component list box of the Property
Methods sheet.
5 Specify the models for enthalpy and density.
Aspen Plus automatically fills in the required component
attributes for the models you specified.

7-20 • Physical Property Methods Aspen Plus 11.1 User Guide

 CHAPTER 8

Physical Property Parameters

and Data

Overview
For help on physical property parameters and data, see one of the
following:
• About parameters and data
• Determining property parameter requirements
• Retrieving parameters from databanks
• Entering property parameters
• Using tabular data and polynomial coefficients
• Using property data packages

About Parameters and Data

When beginning any new simulation, it is important to check that
you have correctly represented the physical properties of your
system. After you select the property methods for a simulation, you
must determine property parameter requirements and ensure that
all required parameters are available.

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-1
 In order to understand this topic, it is important to distinguish
between the terms Parameters and Data:
Item Definition Example
Parameters The constants used in the These can be scalar constants such as
many different physical molecular weight (MW) and critical
property models, or temperature (TC), or they can be
equations, used by temperature-dependent property correlation
Aspen Plus to predict parameters such as the coefficients for the
physical properties extended Antoine vapor pressure equation
(PLXANT).
Data Raw experimental property Vapor pressure vs. Temperature data could
data that can be used for be used to estimate or regress the extended
estimation or regression of Antoine parameters (PLXANT).
parameters

Determining Property Parameter

Requirements
Depending on the type of simulation, your model will require
different parameters. This topic describes the parameter
requirements for some basic property calculations, that is, for:
• Mass and energy balance simulations
• Henry’s law
• Thermodynamic reference state
Most equation-of-state and activity coefficient models require
binary parameters for meaningful results. To determine parameter
requirements based on your chosen property methods, see the
Property Method Tables in Aspen Plus Physical Property Methods
and Models for each property method you select.
Parameter For simulations that involve both mass and energy balance
Requirements for calculations, you must enter or retrieve from the databanks these
Mass and Energy required parameters:
Balance Simulations Enter or For On this type of
retrieve this Properties Parameters
parameter form
MW Molecular weight Pure Component Scalar
PLXANT Extended Antoine vapor Pure Component
pressure model T-Dependent
CPIG or Ideal gas heat capacity Pure Component
CPIGDP model T-Dependent
DHVLWT or Heat of vaporization model Pure Component
DHVLDP T-Dependent

8-2 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 This table gives further information:
If you These parameters Enter them on this
are required type of Properties
Parameters form
Use the standard liquid Standard liquid Pure Component Scalar
volume basis for any volume parameters
flowsheet or unit operation (VLSTD)
model specification
Request free-water Parameters for the Pure Component
calculations water solubility T-Dependent
model (WATSOL)

Tip: If you deselect the Perform Heat Balance Calculations option

on the Setup Simulation Options Calculations sheet, Aspen Plus
does not calculate enthalpies, entropies, or Gibbs free energies. It
does not require the parameters used to compute these properties.

Parameter If you use Henry’s law for supercritical components (or

Requirements for dissolved-gas components), Henry’s constant model parameters
Henry’s Law (HENRY) are required for all dissolved-gas components with the
solvents. You must list the supercritical components on the
Components Henry Comps Selection sheet.
If You require these parameters
More than one solvent Henry’s constant parameters for each
is in the mixture dissolved-gas solvent pair.
Henry’s constants are Henry’s constants for the major solvents.
not available for all Aspen Plus uses a rigorous defaulting procedure
solvents when Henry’s constants are missing
for a minor solvent component.
Enter Henry’s constant model parameters on the Input sheet of the
HENRY-1 object on the Properties Parameters Binary Interaction
HENRY-1 form.
Parameter The reference state for thermodynamic properties is the constituent
Requirements for elements in an ideal gas state at 25° C and 1 atm. To calculate
Thermodynamic enthalpies, entropies, and Gibbs free energies, Aspen Plus uses:
Reference State • Standard heat of formation (DHFORM)
• Standard Gibbs free energy of formation (DGFORM)
For systems that do not involve chemical reaction, you may allow
DHFORM and DGFORM to default to zero.
Values of Must be available for all components
DHFORM Participating in chemical reactions
DGFORM Involved in equilibrium reactions modeled by the RGibbs
reactor model

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-3
 Reference State for Conventional solid components may require:
Conventional Solid • Standard solid heat of formation (DHSFRM)
Components • Standard solid Gibbs free energy of formation (DGSFRM)
Enter them on the Properties Parameters Pure Component Scalar
Input sheet.
Reference State for Ionic The reference state for ionic species is infinite dilution in water. To
Species calculate enthalpy, entropy, and Gibbs free energy of ions,
Aspen Plus uses:
• Standard heat of formation in water at infinite dilution
(DHAQFM)
• Standard Gibbs free energy of formation in water at infinite
dilution (DGAQFM)

Retrieving Parameters from

Databanks
For many components, Aspen Plus databanks store all required
parameter values. This topic explains how to retrieve these built-in
parameters from Aspen Plus databanks:
• Pure component parameters
• Equation-of-state binary parameters
• Activity coefficient binary parameters
• Henry’s Law constants
• Electrolyte and binary pair parameters
Retrieving Pure For many components, Aspen Plus retrieves pure component
Component parameters automatically from its pure component databanks. Use
Parameters the Components Specifications Databanks sheet to specify the
databanks to search and their search order. Parameters missing
from the first selected databank will be searched for in subsequent
selected databanks.
To enter your own parameter values, use the Properties Parameters
Pure Component Scalar Input and T-Dependent Input sheets. See
Entering Pure Component Constants.
Since built-in pure component databanks reside with the simulation
engine, the available parameters do not appear automatically on
any Parameters Pure Component Input sheets.
User entered parameters override values retrieved from the
Aspen Plus databanks.

8-4 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Generating a Report of To generate a report of all available pure component parameters
Available Pure that will be used in the simulation for the components and property
Component Parameters methods specified:
1 From the Tools menu, click Retrieve Parameters Results.
2 On the Retrieve Parameter Results dialog box, click OK to
generate a report.
3 On the next Retrieve Parameter Results dialog box, click OK to
view the results.
The Data Browser automatically opens at the Properties
Parameters Results folder.
4 In the left pane of the Data Browser, choose the Pure
Component form from the Results folder.
The Parameters Results Pure Components form contains a sheet
for scalar parameters and a sheet for T-Dependent parameters. On
each sheet you can choose to view the actual parameter values, or
the status. For the status of parameter results, the following status
is possible:
Status Indicates the parameter is
Available Available in the databank, entered on the Paramters Input
sheet, estimated, or regressed
Default A system default value
Missing Missing
In addition to retrieving parameter results with the method
described above, you can also generate a detailed parameter report
in the Aspen Plus report file.
Retrieving Equation- For many component systems, binary parameters are available for
of-State Binary these models:
Parameters Model Parameter name
Standard Redlich-Kwong-Soave RKSKIJ
Standard Peng-Robinson PRKIJ
Lee-Kesler-Plöcker LKPKIJ
BWR-Lee-Starling BWRKV, BWRKT
Hayden-O'Connell HOCETA
Aspen Plus retrieves any databank values and uses them
automatically. Whether you enter these parameters yourself or
retrieve them from a databank, you can view them from the
appropriate Properties Parameters Binary Interaction Input sheet.
Aspen Plus creates one form for each binary parameter.
If you do not want to retrieve built-in equation-of-state binary
parameters, remove the databank name from the Selected
Databanks list on the Databanks sheet of the Properties Parameters

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-5
 Binary Interaction form for your equation-of-state model. Use the
Input sheet to enter your own binary parameter values. For more
information see Entering Scalar Binary Parameters.
Retrieving Activity For many component pairs, binary parameters are available for the
Coefficient Binary following property methods for vapor-liquid applications:
Parameters Property method Parameter name
NRTL NRTL
NRTL-HOC NRTL
NRTL-RK NRTL
UNIQUAC UNIQ
UNIQ-HOC UNIQ
UNIQ-RK UNIQ
WILSON WILSON
WILS-HOC WILSON
WILS-GLR WILSON
WILS-LR WILSON
WILS-RK WILSON
For liquid-liquid applications, binary parameters are available for
the following property methods:
Property method Parameter name
NRTL NRTL
NRTL-HOC NRTL
NRTL-RK NRTL
UNIQUAC UNIQ
UNIQ-HOC UNIQ
UNIQ-RK UNIQ
AspenTech developed these parameters using data from the
Dortmund Databank.
Whenever you select these property methods, Aspen Plus retrieves
these parameters automatically and displays them on the Input
sheet of the Properties Parameters Binary Interaction forms.
Aspen Plus creates a form for each binary parameter.
If you do not want to retrieve built-in binary parameters, remove
the databank name from the Selected Databanks list on the
Databanks sheet of the Properties Parameters Binary Interaction
form. Use the Input sheet to enter your own binary parameter
values.
For more information, see Entering Temperature-Dependent
Binary Parameters.

8-6 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Henry’s law constants are available for a large number of solutes in
Retrieving Henry’s
solvents. The solvents are water and many organic components.
Law Constants
If you use an activity coefficient property method and define a set
of Henry’s components, Aspen Plus retrieves the Henry’s constants
automatically and displays them on the Input sheet of the
Properties Parameters Binary Interaction HENRY-1 form.
If you do not want to retrieve built-in Henry’s law constants,
remove both the BINARY and HENRY databanks from the
Selected Databanks list on the Databanks sheet of the HENRY-1
form.
Retrieving Electrolyte Binary and pair parameters of the Electrolyte NRTL model are
Binary and Pair available for many industrially important electrolyte systems.
Parameters Aspen Plus retrieves the binary parameters and displays them on
the Properties Parameters Binary Interaction forms. For pair
parameters, Aspen Plus displays them on the Properties Parameters
Electrolyte Pair forms.
If you do not want to retrieve built-in parameters, remove the
databank name from the Selected Databanks list on the Databanks
sheet of the applicable form.

Entering Property Parameters

If any parameters required by your simulation are missing from the
databanks, or if you do not want to use databank values, you can:
• Enter any parameters or data directly.
• Estimate parameters using Property Estimation.
• Regress parameters from experimental data using Data
Regression.
This section explains how to enter the following parameters
directly:
For help on entering parameters, see one of the following topics:
• Forms for entering property parameters
• How to enter property parameters
• Pure component constants
• Pure component correlation parameters
• Parameters for nonconventional components
• Scalar binary parameters
• Temperature-dependent binary parameters
• Binary parameters from Dechema

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-7
 • Electrolyte pair parameters
• Ternary parameters
Forms for Entering The table below shows where to enter the different types of
Property Parameters property parameters:
Use the Input sheet To enter
of this Properties
Parameters form
Pure Component Scalar pure component parameters, such as critical
Scalar temperature (TC) or molecular weight (MW)
Pure Component Temperature-dependent pure component property
T-Dependent correlation parameters, such as PLXANT for the
extended Antoine vapor pressure model
Pure Component Unary parameters for nonconventional
Nonconventional components
Binary Interaction Scalar binary parameters, such as the RKSKIJ
binary parameters for the Redlich-Kwong-Soave
equation-of-state model
Temperature-dependent binary parameters (that is,
parameters defined with more than one element)
such as the NRTL binary parameters or Henry’s
law constants
Electrolyte Pair Electrolyte-molecule and electrolyte-electrolyte
pair parameters required by the electrolyte NRTL
model, such as the GMELCC parameters
Electrolyte Ternary Electrolyte ternary parameters required by the
Pitzer model, such as the cation1-cation2-common
anion parameters and anion1-anion2-common
cation parameters (GMPTPS)
UNIFAC Group Area and volume parameters for the UNIFAC
functional groups
UNIFAC Group Scalar group-group interaction parameters for the
Binary original UNIFAC model (GMUFB)
T-Dependent group-group interaction parameters
for the modified UNIFAC models, such as the
Dortmund-modified UNIFAC and the Lyngby-
modified UNIFAC models
How to Enter The general procedure for entering all property parameters is as
Property Parameters follows:
To enter property parameters:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the folder for the type of parameters you want to enter
(Pure Component, Binary Interaction, Electrolyte Pair,

8-8 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Electrolyte Ternary, UNIFAC Group, or UNIFAC Group
Binary).
Aspen Plus automatically creates parameter sets for any binary
interaction, electrolyte pair, and parameters required by the
property methods specified on the Properties Specifications
form. The Object Manager for the appropriate parameter type
displays the IDs for these parameter sets.
4 On the Object Manager for the parameter type you choose, you
can
• Enter parameters for an existing parameter set by selecting
the parameter and clicking Edit.
– or –
• Create a new parameter set. In the Object Manager, click
New. If prompted, select the appropriate parameter type
and parameter name, and click OK.
5 Use the Parameter input sheet to:
• Enter parameters that are not in the Aspen Plus databanks
• Override defaults or databank values by entering parameter
values
You can enter parameter values in any units. After you specify
a parameter name, Aspen Plus automatically fills in the default
units.
If you change the units of measurement for the parameter after
you enter the parameter value, Aspen Plus does not convert the
displayed value.

Tip: When defining non-databank components using the

Components Specifications Selection sheet, you can use the User-
Defined Components Wizard. The wizard guides you through
entering the basic pure component parameters required.

Entering Pure To enter pure component constants:

Component 1 From the Data menu, click Properties.
Constants
2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the Pure Component folder.
4 In the Parameters Pure Component Object Manager, you can
create new parameter IDs, or modify existing IDs.
5 To create a new parameter set, on the Object Manager click
New.

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-9
 6 In the New Pure Component Parameters dialog box, the default
parameter type is Scalar. Enter an ID or accept the default ID
and click OK.
7 To modify an existing parameter ID, on the Object Manager
select the name of the parameter set, and click Edit.
8 On the Input sheet for pure component scalar parameters,
define the matrix of components and parameters for which you
are entering data values, and specify the appropriate units.
Example of Entering Pure Enter critical temperature (TC) and critical pressure (PC) of
Component Constants 410.2 K and 40.7 atm for component C1. Enter critical pressure of
36.2 atm for component C2.

Entering Pure To enter coefficients for temperature-dependent pure component

Component property correlations:
Correlation 1 From the Data menu, click Properties.
Parameters
2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the Pure Component folder.
4 In the Parameters Pure Component Object Manager, you can
create new parameter IDs, or modify existing IDs.
5 To create a new parameter set, on the Object Manager click
New.
6 In the New Pure Component Parameters dialog box, select T-
dependent correlation, and choose the appropriate parameter
name from the list.
7 Click OK.

8-10 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 8 To modify an existing parameter ID, on the Object Manager
select the name of the parameter set, and click Edit.
9 On the Input sheet, choose a component from the Component
list. For the chosen temperature dependent parameter, use this
sheet to enter values for all components for which you have
parameters.
10 Specify the appropriate units and enter the coefficients of each
parameter as sequential elements. For a more detailed
description of models and parameters, see chapter 3 of Physical
Property Methods and Models.
You cannot enter more than one set of values for the same
parameter on the same form.

Example of Entering Ideal For component CLP, enter the coefficients for the Ideal Gas Heat
Gas Heat Capacity Capacity Polynomial model (CPIG):
Coefficients
C PIG = −2001.2 + 358.9T − 0.515T 2 + 4.41 × 10 −4 T 3 − 1.58 × 10 −7 T 4

C PIG has units of J/kmol-K. T is in units of K.

Entering Parameters To enter parameter values for nonconventional components:

for Nonconventional 1 From the Data menu, click Properties.
Components
2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the Pure Component folder.
4 In the Parameters Pure Component Object Manager, you can
create new parameter IDs, or modify existing IDs.
5 To create a new parameter set, on the Object Manager click
New.

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-11
 6 In the New Pure Component Parameters dialog box, select
Nonconventional.
7 Enter an ID or accept the default ID, then click OK.
8 To modify an existing parameter ID, on the Object Manager
select the name of the parameter set, and click Edit.
9 On the Input sheet, choose a parameter from the Parameter list.
10 Enter components, parameters, and units.
When you use the general enthalpy and density models shown
in this table Aspen Plus requires at least the first element of the
heat capacity polynomial (HCGEN) and density polynomial
(DENGEN), for each constituent of each nonconventional
component. The heat of formation (DHFGEN) is required
when reactions occur involving nonconventional components.
Alternatively, you can enter tabular data directly for enthalpy
and density. Polynomial TABPOLY models are not available
for nonconventional components.
Property Model
ENTHALPY ENTHLTAB
DENSITY DNSTYTAB
For more information on using tabular data and polynomial
coefficients see Using Tabular Data and Polynomial
Coefficients.
Entering Scalar To enter scalar binary parameters:
Binary Parameters 1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the Binary Interaction folder to open the Object Manager
containing the binary parameter sets used by your specified
property methods.
4 On the Object Manager, select the scalar parameter of interest
and click Edit.
5 Define the ij matrix of components for which you are entering
binary parameter values.
6 Enter the parameter values.

8-12 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Example for Entering Binary parameters for the Redlich-Kwong-Soave equation of state,
Redlich-Kwong-Soave RKSKIJ, are symmetric (that is, kij = kji). Enter the following
Binary Parameters values for the binary parameters in the three-component system
C1-C2-C3:
Component Pair RKSKIJ
C1-C2 0.097
C1-C3 0
C2-C3 -0.018

Note: You will not see the RKSKIJ-1 parameter in the Binary
Interaction Object Manager unless you have previously chosen the
RK-SOAVE property method.

Entering To enter temperature-dependent binary parameters:

Temperature- 1 From the Data menu, click Properties.
Dependent Binary
Parameters 2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the Binary Interaction folder to open the Object Manager
containing the binary parameter sets used by your specified
property methods.
4 On the Object Manager, select the temperature-dependent
parameter of interest and click Edit.
5 On the Input sheet, enter component pairs in the Component i
and Component j boxes.
6 Specify the units for the binary parameters.
7 Enter the coefficients of the parameters as sequential elements
for each component pair.

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-13
 Example for Entering NRTL Binary Parameters

The NRTL binary parameters aij and bij are asymmetric, that is, aij
≠ aji and bij ≠ bji. The binary parameter cij and dij are symmetric;
eij and fij default to zero. Enter the following NRTL binary
parameters for the components C1-C2. The units for the binary
parameters are in Kelvins.
a12 = 0
a21 = 0
b12 = -74.18
b21 = 270.8
c12 = 0.2982

Note: You will not see the NRTL-1 parameters in the Binary
Interaction Object Manager, unless you have previously chosen an
NRTL-based property method.

Entering Binary The DECHEMA Chemistry Data Series contains a large number of
Parameters from binary parameters for the Wilson, NRTL, and UNIQUAC models.
DECHEMA These binary parameters are not compatible with the form of the
equations used in Aspen Plus. However, you can enter them
directly, without any conversion, using the Dechema button on the
Properties Parameters Binary Interaction Input sheet for
temperature dependent parameters.
To enter binary parameters from DECHEMA:
1 From the Data menu, click Properties.

8-14 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the Binary Interaction folder to open the Object Manager
containing the binary parameter sets used by your specified
property methods.
4 On the Object Manager, select NRTL-1, WILSON-1, or
UNIQ-1 and choose Edit.
5 On the Input sheet, enter component pairs in the Component i
and Component j boxes.
6 With the appropriate component pair selected, click the
Dechema button.
7 In the Dechema Binary Parameters dialog box, enter the binary
parameter values. You can also specify whether the parameters
came from the VLE or LLE collection.
8 Click OK.
Aspen Plus converts the binary parameters you enter and
displays the converted values on the Input sheet.
Aspen Plus databanks contain both parameters developed by
Aspen Technology, Inc. and those obtained from the
DECHEMA Chemistry Data Series (databank name = VLE-
LIT). You will seldom need to enter binary parameters from
the DECHEMA Chemistry Data Series.
Example of Entering Enter the following binary parameters for ethanol (i) and water (j),
NRTL Binary Parameters as reported in the DECHEMA Chemistry Data Series, Vol. I, Part
from DECHEMA 1A, p. 129:
aij = -517.9603 cal/mol
aji = 1459.309 cal/mol
αij = 0.0878

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-15
 You can request the estimation of missing binary parameters for
Estimating Binary
the Wilson, NRTL, and UNIQUAC models, using the Properties
Parameters for
Activity Coefficient Parameters Binary Interaction form. For convenience, Aspen Plus
provides this capability in addition to the Property Constant
Models
Estimation System (PCES).
To estimate binary parameters:
1 Go to the Properties Parameters Binary Interaction Object
Manager.
2 Select the WILSON-1, NRTL-1 or UNIQ-1 binary parameter
form of interest and choose Edit.
3 On the Input sheet, check the Estimate All Missing Parameters
by UNIFAC check box.
Entering Electrolyte Use the Properties Parameters Electrolyte Pair form to enter values
Pair Parameters for molecule-electrolyte and electrolyte-electrolyte pair parameters
for the Electrolyte NRTL model.
To enter electrolyte pair parameters:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the Electrolyte Pair folder.
4 On the Electrolyte Pair Object Manager, select a parameter
name, and click Edit.
5 On the Input sheet, define the molecule-electrolyte or
electrolyte-electrolyte pairs for which you are entering values.
6 Enter the parameter values for the specified pairs.

8-16 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Example of Entering Enter the following electrolyte NRTL pair parameters (GMELCC)
Electrolyte NRTL Pair for the brine system:
Parameters τH2O,NaCl = 8.572

τNaCl,H2O = -4.435

NaCl dissociates completely into Na+ and Cl-.

Entering Ternary Use the Properties Parameters Electrolyte Ternary form to enter
Parameters values for the Pitzer ternary parameters when using the Pitzer
electrolyte activity coefficient model.
For example, you can enter cation1-cation2-common anion
parameters and anion1-anion2-common cation parameters
(GMPTPS).
To enter electrolyte pair parameters:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, double-click the
Parameters folder.
3 Click the Electrolyte Ternary folder.
4 In the Electrolyte Ternary Object Manager, you can create new
parameter IDs, or modify existing IDs.
5 To create a new parameter set, on the Object Manager click
New.
6 In the Create New ID dialog box, enter an ID in the Enter ID
box, or accept the default ID.
7 Click OK.
8 To modify an existing parameter ID, on the Object Manager
select the name of the parameter set, and click Edit.

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-17
 9 Select an electrolyte ternary parameter from the Parameter list.
10 With Cation selected in the View list, enter the
cation1-cation2-common anion parameters by listing two
cations, the common aion(s), and the respective parameter
values. Enter all cation1-cation2-common anion parameters
with the Cation view selected.
11 Select Anion from the View list.
12 Enter the anion1-anion2-common cation parameters by listing
two anions, the common cation(s), and the respective
parameter values. With the Anion view selected, continue to
list all anion1-anion2-common cation parameters.

8-18 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Example of Entering Enter the following Pitzer ternary parameters (GMPTPS) for the
Electrolyte Pitzer Ternary NaCl/CaSO4 system:
Parameters i j k ψijk
Na+ Ca+2 Cl- -0.014
Na+ Ca+2 SO4-2 -0.023
Cl- SO4-2 Na+ 0.0014
Cl- SO4-2 Ca+2 0.0

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-19
 Using Tabular Data and Polynomial
Coefficients
In addition to the standard Aspen Plus physical property methods
and models, you can represent some properties through:
• Direct use and interpolation of user-supplied tabular data
• Calculation from a general polynomial model
For help on using tabular data and polynomial coefficients, see one
of the following:
• Entering tabular data
• Entering polynomial coefficients for general polynomial model
• Adjusting reference states for tabular data and polynomials
• Adjusting tabular data or polynomials for the effect of pressure
Tabpoly Properties This table shows the Tabpoly properties:
Property Model Form
Density for nonconventional components Normal
Enthalpy for nonconventional components Normal
Enthalpy of fusion Normal
Enthalpy of sublimation Normal
Enthalpy of vaporization Normal
Henry’s constant Logarithmic
Ideal gas enthalpy Normal
Ideal gas heat capacity Normal
Liquid diffusion coefficient Normal
Liquid enthalpy Normal
Liquid enthalpy departure Normal
Liquid entropy Normal
Liquid entropy departure Normal
Liquid fugacity coefficient for a component in a mixture Logarithmic
Liquid Gibbs free energy Normal
Liquid Gibbs free energy departure Normal
Liquid heat capacity Normal
Liquid-Liquid K-value Logarithmic
Liquid thermal conductivity Normal
Liquid viscosity Logarithmic
Liquid volume Normal
Pure component liquid fugacity coefficient Logarithmic
Pure component vapor fugacity coefficient Logarithmic
Solid enthalpy Normal
Solid enthalpy departure Normal

8-20 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Property Model Form
Solid entropy Normal
Solid entropy departure Normal
Solid fugacity coefficient Logarithmic
Solid Gibbs free energy Normal
Solid Gibbs free energy departure Normal
Solid heat capacity Normal
Solid thermal conductivity Normal
Solid vapor pressure Logarithmic
Solid volume Normal
Surface tension Normal
Vapor diffusion coefficient Normal
Vapor enthalpy Normal
Vapor enthalpy departure Normal
Vapor entropy Normal
Vapor entropy departure Normal
Vapor fugacity coefficient for a component in a mixture Logarithmic
Vapor Gibbs free energy Normal
Vapor Gibbs free energy departure Normal
Vapor heat capacity Normal
Vapor-Liquid K-value Logarithmic
Vapor pressure Logarithmic
Vapor thermal conductivity Normal
Vapor viscosity Normal
Vapor volume Normal
If the model form is logarithmic, the tabular model uses the
logarithmic transformation of the property to interpolate and
extrapolate. The polynomial model is the logarithmic form of the
equation.
How Aspen Plus Aspen Plus calculates the property for the component, using the
Uses Your Tabular tabular data and polynomial coefficients you enter. If you do not
Data and Polynomial provide data for all components, Aspen Plus uses the property
Coefficients models of the ideal property method (IDEAL), for the components
without data. For most properties, Aspen Plus calculates mixture
properties using mole fraction average ideal mixing.
Aspen Plus uses your tabular data directly—Aspen Plus does not
fit a polynomial equation to the data. When necessary, Aspen Plus
uses a quadratic interpolation method to determine the property
value at a given temperature. You should provide tabular data at
small temperature intervals.

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-21
 When the temperature is outside the lowest or highest temperature
data that you entered, Aspen Plus calculates the property by linear
extrapolation. If the model form is logarithmic, Aspen Plus uses
the logarithmic transformation of the property to interpolate and
extrapolate. For polynomial models when temperature is outside
the lower and upper limits of the correlation, Aspen Plus also
calculates the property by linear extrapolation.
If you enter Then
Enthalpy or heat You can use the Data Generation Options on the
capacity data Specifications sheet to generate entropy and
Gibbs free energy.
Vapor enthalpy data Also enter ideal gas enthalpy data to ensure
consistency.
Enthalpy, entropy, and Make sure they are consistent (G = H – TS).
Gibbs free energy
To enter experimental data for use with Property Estimation or
Data Regression, use the Properties Data forms.
Entering Tabular Data To enter tabular data:
1 From the Data menu, click Properties.
2 From the left pane of the Data Browser, go to the Properties
Advanced Tabpoly Object Manager.
3 Click New to create a new object.
4 Enter an ID or accept the default ID, and then click OK.
5 On the Specifications sheet, choose the property for which you
are entering data in the Property list. You can enter data for
only one property on each Tabpoly form. Use as many forms as
needed to enter your data.
6 In the For Property Method list, choose the property method
for which the Tabpoly property is to be used. Specify All to use
the data for all property methods in the simulation.
7 On the Data sheet, choose the component for which you have
data, from the Component list box.
8 Select data type tabular Data, then enter the tabular data
(property versus temperature) for the component.
You must enter the temperature-dependent tabular data in order
of ascending temperature points. Aspen Plus determines the
units for the temperature and the property data from the
Units-Set you specify in the Units list box on the Data Browser
toolbar.

8-22 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Example of Entering This example assumes that the Units list box on the Data Browser
Vapor Pressure Data for toolbar is referencing a new Units-Set defined with temperature
Component CLP units of C and pressure units of mmHg.
Enter the following tabular data:
Vapor pressure Temperature (C)
(mmHg)
70 0
177 20
390 40
760 59.4
2358 100
8200 160

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-23
 Entering Polynomial To enter polynomial coefficients for a general polynomial model:
Coefficients for the 1 From the Data menu, click Properties.
General Polynomial 2 In the left pane of the Data Browser, double-click the
Model Advanced folder.
3 Click the Tabpoly folder.
4 On the Tabpoly Object Manager, click New to create a new
object.
5 Enter an ID or accept the default ID, and then click OK.
6 On the Specifications sheet, specify the property for which you
are entering polynomial coefficients in the Property list box.
You can enter polynomial coefficients for only one property on
each form. Use as many forms as needed to enter your
coefficients.
7 In the For Property Method list box, choose the property
method for which the Tabpoly property is to be used. Specify
All to use the data for all property methods in the simulation.
8 On the Data sheet, choose the component for which you have
coefficients, from the Component list.
9 Select the data type: Polynomial Coefficient, then enter the
general polynomial coefficients for the selected component.
The polynomial model is of the form:
property  a5 a6 a7
 = a1 + a2T + a3T + a4T + + 2 + + a8 ln T
2 3
or
ln( property ) T T T
See Tabpoly Properties to determine whether the property you
want to enter uses the normal or logarithmic form.
The coefficients a2 through a8 default to zero. The lower
temperature limit of the correlation (Min. temperature) defaults
to 0 K. The upper temperature limit (Max. temperature)
defaults to 1000 K. When the temperature is outside the limits,
Aspen Plus calculates the property by linear extrapolation.
The Units-Set you specify in the Units list box on the Data
Browser toolbar determines the units for the coefficient values.
If a5, a6, a7, or a8 is non-zero, Aspen Plus assumes absolute
temperature units for all parameters.
Adjusting Reference Aspen Plus can adjust the reference state of the enthalpy, entropy,
States for Tabular and Gibbs free energy data that you entered. To specify this:
Data and Polynomials 1 On the Tabpoly Specifications sheet, deselect the Do Not
Adjust Reference State check box for your Tabular data or your
Polynomial data.
2 Specify the basis (Mole or Mass) for your reference value and
for the data, in the Basis list box.

8-24 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 3 On the Reference Points sheet, select the component for which
you want to adjust the reference state, in the Component list
box.
4 In the Reference Points boxes enter a reference Temperature
and a reference value for Enthalpy, Entropy, or Gibbs free
energy.
5 If you want to enter reference values and have Aspen Plus
generate entropy and Gibbs free energy data from the enthalpy
or heat capacity data that you enter, you must enter reference
values for two of the three properties. The reference values are
at the same temperature.
6 To use the Aspen Plus default reference state, do not enter any
data on the Reference Points sheet. However, you must supply
these parameter values for (or they must be available in the
databanks):
• DHFORM, DGFORM, PLXANT
• DHVLWT (or DHVLDP)
The Aspen Plus thermodynamic reference state is the
component's constituent elements in an ideal gas state at 25°C
and 1 atm.
If a simulation has Then
No chemical reactions You can select the reference states
arbitrarily.
Chemical reactions You must select reference states that
include DHFORM for all components
undergoing reaction.
Equilibrium reactions You must select reference states that
include DGFORM for all components
undergoing reaction.

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-25
 Adjusting Tabular Aspen Plus adjusts vapor-liquid K-values, Gibbs free energies, and
Data or Polynomials entropies for the effect of pressure using the following
for the Effect of relationships:
Pressure  Pref 
K (T , P) =   K (T , Pref )

 P 
 Pref 
s (T , P) = s (T , Pref ) − R ln 

 P 
 Pref 
g (T , P) = g (T , Pref ) − RT ln 

 P 
Where:
P ref = Reference pressure (the pressure at which the
data was obtained.)
P = Actual system pressure
T = Temperature
K(T,Pref) = K-value at T and the reference pressure
s(T,Pref) = Entropy at T and the reference pressure
g(T,Pref) = Gibbs free energy at T and the reference
pressure
Requesting Pressure To request pressure adjustment:
Adjustment
1 Go to the Reference Points sheet of the Tabpoly form.
2 Choose the component for which you want to specify the
reference pressure, from the Component list box.
3 In the Pressure box, enter the reference pressure.
For K-values, Aspen Plus makes no adjustment for the pressure
effect, unless you supply the reference pressure. You should
always enter a reference pressure, unless the pressure range of the
simulation matches that of the data.
If you use the Aspen Plus thermodynamic reference state for
entropy and Gibbs free energy, an adjustment for the pressure
effect is always performed using Pref = 101325 N/m2. If you do not
use the Aspen Plus reference state, Aspen Plus adjusts for the
pressure effect only if you supply the reference pressure.

8-26 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Using Property Data Packages
This topic describes the Property Data Packages available in
Aspen Plus.
You can use these data packages to model many important
industrial processes. Theses data packages have been developed
using publicly available literature data. They will be updated as
new data becomes available. For your particular process, you may
need to add or remove components and provide additional
interaction parameters.
• Ammonia-water
• Ethylene
• Flue gas treatment
• Formaldehyde-methanol-water
• Glycol dehydration of natural gas
• Mineral solubilities in water using the Pitzer model
• Gas treating processes using amines: MDEA, DEA, DGA,
AMP and MEA
• Methyl-amine
Using a Data Package To use a data package:
1 From the File menu, click Import.
2 In the Import dialog box, click the Look In Favorites button.
3 From the list of favorite folders, select Data Packages.
4 Select the data package that you want and click Open.
Ammonia-Water Data Use this data package for ammonia and water. This data package
Package uses the Electrolyte NRTL model.
This data package is applicable from 5 - 250 C with pressure up to
100 bar.
Ethylene Data Use this data package to model Ethylene processes. This data
Package package uses the SR-POLAR equation of state model because of
its versatility in representing both hydrocarbons and polar
components such as water.
Pure component parameters were evaluated using experimental
data for vapor pressure, liquid heat capacity and liquid density.
Binary parameters were evaluated from experimental VLE and
LLE data.
This data package should provide a very good starting point for
building the Ethylene process model. Simulation results can be

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-27
 improved by regressing missing binary parameters or updating the
existing parameters with the new ones based on latest experimental
data.
Using Electrolyte Aspen Plus provides special data packages (inserts) for amines
Amines Data systems: MDEA, DEA, MEA, DGA and AMP (2-amino-2-
Packages methyl-1-propanol, C4H11NO-1).
These packages allow you to accurately model amines gas treating
processes.
These inserts use the electrolyte capabilities, but also take into
consideration kinetic reactions of CO2 in the liquid phase. The
reaction kinetics can be used in either the RADFRAC or
RATEFRAC distillation models. This modeling approach is
fundamentally sound and has been validated through industrial
applications. These data packages give more accurate results than
those that do not consider kinetics reactions.
The following table shows the range of applications:
System Insert Name Temperature Amines
Concentration
AMP KEAMP 40-100 C 2.47 to 4.44 molal
MDEA KEMDEA 25 - 120 C Up to 50 weight %
DEA KEDEA Up to 140 C Up to 30 weight %
DGA KEDGA Up to 100 C Up to 65 weight %
MEA KEMEA Up to 120 C Up to 50 weight %
Using an Amines Data To use an amines insert:
Package
1 From the File menu, click Import.
2 In the Import dialog box, click the Look In Favorites button.
3 From the list of favorite folders, select Data Packages.
4 Select the desired data package and click Open.
5 In the Parameter Values dialog box, enter the component IDs
you are using for the amine, CO2 and H2S by first selecting the
Parameter then clicking the Edit Value button.
Make sure that you use the true component approach on the
Properties Specifications Global sheet or the Block Options
Properties sheet of a unit operation model. This is required for
all the amines data packages that use kinetic reactions.

8-28 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 6 If you are using RADFRAC or RATEFRAC, specify one of the
following Reaction IDs on the Reactions form for the model:
Reaction ID For modeling When using this data package
MDEA-CO2 CO2 absorption KEMDEA
MDEA-ACID CO2/H2S absorption KEMDEA
MEA-CO2 CO2 absorption KEMEA
MEA-ACID CO2/H2S absorption KEMEA
DEA-CO2 CO2 absorption KEDEA
DEA-ACID CO2/H2S absorption KEDEA
Flue Gas Treatment Use this data package to model flue-gas purification process. The
Data Package data package uses the Electrolyte NRTL model.
The apparent components are:
H2O, N2, O2, CO2, CO, SO2, SO3, NO, NO2, HCL, HF, HNO3,
HNO2, H2SO4, H2SEO3, HGCL2, HG2CL2, HG, C, SE, SEO2,
HG(OH)2, CASO4*2W, CAF2, CAO, CA(OH)2
The Henry-components are:
CO CO2 SO2 HCL O2 N2 NO HG
Valid temperature range from: 273.15 K to 373.15 K
Formaldehyde- Use this data package to model Formaldehyde-Methanol-Water
Methanol-Water Data system. This system is highly non-ideal because the three
Package components form multiple complexes.
The vapor phase is modeled using the Hayden-O’Connell model.
This model properly accounts for the strong association in the
vapor phase.
The liquid phase is modeled using the UNIFAC model with special
group-group interaction parameters determined from regression of
experimental data. The complexes such as methylene glycol and
hemiformal are formed using the Chemistry reactions.
Valid temperature range: 0 to 100 C
Mole fraction of Formaldehyde: 0 - 0.6
Pressure: 0 - 3 bar

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-29
 Glycol Dehydration Use this data package to model natural gas dehydration processes
Data Package using glycols (Ethylene glycol (EG): C2H6O2, Di-ethylene glycol
(DEG): C4H10O3, or Tri-ethylene glycol (TEG): C6H14O4)
The data package uses the Schwartzentruber-Renon equation-of-
state (SR-POLAR) model.
The components included in this package are:
EG, DEG, TEG, WATER, METHANOL, CO2, N2, H2S,
METHANE, ETHANE, PROPANE, N-BUTANE, N-PENTANE,
N-HEXANE, N-HEPTANE, N-OCTANE, N-NONANE, N-
DECANE, BENZENE, TOLUENE, O-XYLENE, ISO-BUTANE,
ISO-PENTANE, ETHYLENE, PROPYLENE
The experimental data used to develop the data package cover very
wide range of temperatures and pressures.
Pitzer Data Packages There are four data packages for calculating mineral solubilities in
water using the Pitzer electrolyte model:
1 PITZ_1: for prediction of mineral solubilities in water at 25 C.
The system is Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-
H2O.
2 PITZ_2: for prediction of mineral solubilities in water for
systems:
Na-K-Ca-Ba-Cl-H2O and Na-Ca-Cl-SO4-H2O.
The apparent components are:
H2O, NACL, KCL, CACL2, ACL2*4H2O, CACL2*6H2O,
BACL2, ACL2*2H2O
Valid temperature range: up to 200 C
Valid pressure: equilibrium to 1 atmosphere
3 PITZ_3: for Na-K-Ca-Cl-SO4-NO3-H2O system
The apparent components are:
H2O, NA2SO4, NACL, NA2SO4*10H2O, NA2CA(SO4)2,
NA4CA(SO4)3*2H2O, NANO3, K2SO4, KCL,
K2CA(SO4)2*H2O, KNO3, CACL2, CASO4, CACL2,
CACL2*6H2O, CASO4*2H2O, 2(CASO4)**H2O,
CACL2*4H2O,CA(NO3)2, CA(NO3)2*4H2O
Valid temperature range: 0 - 250 C
4 PITZ_4 for H2O- NaCl- Na2SO4- KCl- K2SO4- CaCl2-
CaSO4- MgCl2- MgSO4- CaCl2*6H2O- MgCl2*6H2O-
MgCl2*8H2O- MgCl2*12H2O- KMgCl3*6H2O-
Mg2CaCl6*12H2O- Na2SO4*10H2O- MgSO4*6H2O-
MgSO4*7H2O- K2Mg(SO4)2*6H2O
Valid temperature range : -60 to 25 C

8-30 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Use this data package to model methyl-amines process. This
Methyl-amine Data
system is highly non-ideal. The components included are:
Package
ammonia, water, methanol, methyl-amine, dimethylamine and
trimethyl-amine.
The property model used for representing VLE data is the SR-
POLAR equation of state. High pressure VLE data for NH3-H2O
and Methanol-Water were used in the regression. This model is
particularly good for high pressure column. The results may be
improved by adding additional binary parameters for the EOS
based on new VLE data.
Pure component parameters were evaluated using liquid Density,
Heat Capacity and Vapor pressure data.
Using Other The following tables show electrolyte data packages that are
Electrolyte Data available in the ELECINS sub-directory.
Packages

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-31
 Data Packages Using the This table shows electrolyte data packages, available in the
ELECNRTL Property ELECINS sub-directory, that use the ELECNRTL property
Method method:
Filename Electrolyte System
[Link] H2O - HCL (as Henry-comps)
[Link] H2O - HNO3
[Link] H2O - NAOH
[Link] H2O - H2SO4 - HBR
[Link] H2O - HBR
[Link] H2O - HI
[Link] H2O - H2SO4
[Link] H2O - HCL - MGCL2
[Link] H2O - NAOH - SO2
[Link] H2O - H2SO4 - HCL
[Link] H2O - NAOH - NACL - NA2SO4 -NA2SO4.10H2O -
[Link] - [Link]
[Link] H2O - KOH
[Link] H2O - NAOH - NACL - NA2SO4
[Link] H2O - HCL (as solvent)
[Link] H2O - HCL (as solvent, recommend for LLE)
[Link] H2O - DEA - H2S - CO2
[Link] H2O - DEA - K2CO3 - H2S - CO2
[Link] H2O - MEA - H2S - CO2
[Link] H2O - CL2 - HCL
[Link] H2O - NH3 - CO2
[Link] H2O - NH3 - SO2
[Link] H2O - NH3 - H2S - CO2 - NAOH
[Link] H2O - DGA - H2S - CO2
[Link] H2O - NH3 - H2S
[Link] H2O - AMP - H2S - CO2
[Link] H2O - K2CO3 - CO2
[Link] H2O - NH3 - HCN
[Link] H2O - CO2 - H2S - NACL
[Link] H2O - CO2 - H2S - NACL (extended Temperature range)
[Link] H2O - CL2 - CO2 - HCL - NAOH - NACL - NA2CO3
[Link] H2O - KOH (high concentration)
[Link] H2O - HF
[Link] H2O - K2CO3 - CO2 - KHCO3
[Link] H2O - MDEA - CO2 - H2S
[Link] H2O - NH3 - H3PO4 - H2S
[Link] H2O - NH3 - H2S - CO2

8-32 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 Data Packages Using the This table shows electrolyte data packages, available in the
SYSOP15M Property ELECINS sub-directory, that use the SYSOP15M property
Method method:
Filename Electrolyte System
[Link] H2O - CO2 - H2S - NACL
[Link] H2O - NAOH - NACL - NA2SO4
[Link] H2O - NAOH - NACL - NA2SO4 -NA2SO4.10H2O -
[Link] - [Link]
[Link] H2O - DEA - H2S - CO2
[Link] H2O - DGA - H2S - CO2
[Link] H2O - HBR
[Link] H2O - HCL
[Link] H2O - HF
[Link] H2O - HI
[Link] H2O - K2CO3 - CO2
[Link] H2O - K2CO3 - CO2 - KHCO3
[Link] H2O - DEA - K2CO3 - H2S - CO2
[Link] H2O - CL2
[Link] H2O - MDEA - H2S - CO2
[Link] H2O - MEA - H2S - CO2
[Link] H2O - H2SO4
[Link] H2O - HBR
[Link] H2O - HCL
[Link] H2O - HCL
[Link] H2O - HCL - MGCL2
[Link] H2O - HF
[Link] H2O - HF (to 100% HF)
[Link] H2O - HNO3
[Link] H2O - NAOH
[Link] H2O - NAOH
[Link] H2O - H2SO4 - HBR
[Link] H2O - H2SO4 - HCL
[Link] H2O - NAOH - SO2
[Link] H2O - NH3 - CO2
[Link] H2O - NH3 - H2S
[Link] H2O - HCN
[Link] H2O - NH3 - H2S - H3PO4
[Link] H2O - NH3 - SO2
[Link] H2O - NH3 - H2S - CO2
[Link] H2O - NH3 - H2S - CO2 - NAOH

Aspen Plus 11.1 User Guide Physical Property Parameters and Data • 8-33
 Data Packages Using the This table shows electrolyte data packages, available in the
SYSOP16 Property ELECINS sub-directory, that use the SYSOP16 property method:
Method Filename Electrolyte System
[Link] H2O - NH3 - CO2
[Link] H2O - NH3
[Link] H2O - NH3 - SO2
[Link] H2O - NH3 - H2S - CO2

8-34 • Physical Property Parameters and Data Aspen Plus 11.1 User Guide
 CHAPTER 9

Specifying Streams

Overview
Streams connect unit operation blocks in a flowsheet and carry
material and energy flow from one block to another. Streams can
be:
• Feed streams to the flowsheet
• Internal (interconnecting) streams within the flowsheet
• Product streams from the flowsheet
• Pseudo-product streams representing flows internal to a block
Use the Stream forms to enter data for the feed streams and to give
initial estimates for any internal streams that are tear (recycle)
streams.
For help on specifying streams, see one of the following topics:
• Specifying material streams
• Analyzing stream properties interactively
• Specifying stream classes and substreams
• About particle size distributions
• Accessing stream libraries
• Specifying work streams
• Specifying heat streams
• Using pseudoproduct streams

Aspen Plus 11.1 User Guide Specifying Streams • 9-1

 Specifying Material Streams
For all material process feed streams, you must specify:
• Flow rate
• Composition
• Thermodynamic condition
You can provide initial guesses of these variables for tear (recycle)
streams.
Entering To enter specifications for a stream:
Specifications for 1 Double-click the stream in the flowsheet.
Streams
– or –
From the Data menu, click Streams. In the Streams Object
Manager, select the stream and click Edit.
2 On the Specifications sheet, specify any two of three State
Variables to set the thermodynamic condition of your stream.
For the available options, see.
3 Specify the stream composition using flow rates or flow
fractions or flow concentrations of each component in the
Composition frame. See Entering Stream Composition.
Perform Steps 4 through 6 only if the stream contains solids
substreams.
4 If you want to specify solids substreams, use the Substream
field to display different substreams.
5 Specify temperature, pressure, and composition for each solids
substream. You must specify the same pressure for each
substream.
6 If any components in the stream have component attributes, or
any substreams have particle size distributions, you must
specify values for them. For more information, see Specifying
Component Attribute Values and Specifying Particle Size
Distribution.

9-2 • Specifying Streams Aspen Plus 11.1 User Guide

 Possible Stream This table describes possible stream thermodynamic condition
Thermodynamic specifications:
Condition Phases Free State Specification Stream Properties
Specifications Water Calculated by
Vapor only No Temperature, Vapor phase
Pressure thermodynamic
calculations
Solid only No Temperature, Solid phase
Pressure thermodynamic
calculations
Liquid only No Temperature, Liquid phase
Pressure thermodynamic
calculations
Liquid-freewater Yes Temperature, Liquid phase
Pressure thermodynamic
calculations with free
water considered
Vapor-liquid or No Temperature, TP flash
vapor-liquid-liquid Pressure
Vapor-liquid or No Temperature, Molar TV flash
vapor-liquid-liquid Vapor fraction
Vapor-liquid or No Pressure, Molar PV flash
vapor-liquid-liquid Vapor fraction
Vapor-liquid- Yes Temperature, TP flash with free water
freewater Pressure considered
Vapor-liquid- Yes Temperature, Molar TV flash with free
freewater Vapor fraction water considered
Vapor-liquid- Yes Pressure, Molar PV flash with free
freewater Vapor fraction water considered
Aspen Plus calculates unspecified temperature, pressure, or molar
vapor fraction, as well as the stream enthalpy, entropy, and density.

Mass-Balance-Only Calculations
If you are performing a mass-balance-only simulation:
1 Double-click the stream in the flowsheet
2 Ensure the Calculate Stream Properties check box on the
Stream Input Flash Options sheet is clear.
3 Enter values for two of the following: Temperature, Pressure,
and Vapor fraction as State Variables on the Stream Input
Specifications sheet.
Aspen Plus does not calculate stream properties in
mass-balance-only simulations.

Aspen Plus 11.1 User Guide Specifying Streams • 9-3

 Entering Stream Composition
You can specify the stream composition in terms of component
flows, fractions, or concentrations.
For Enter values on this basis
Component flows or fractions † Mole, mass, or standard liquid volume
Concentrations Mole or mass
† For nonconventional components, you can enter only mass flows
and fractions.
If you specify component fractions, you must specify the total
mole, mass, or standard liquid volume flow. Component fractions
must sum to 1.0 or 100.0.
You can enter both component flows and total flow. Aspen Plus
normalizes the component flows to match the total flow.
If you specify component concentrations, you must enter a
component ID for the solvent and the total flow. The stream must
be single phase. You can select Vapor-Only or Liquid-Only in the
Valid Phases list on the Stream Input Flash Options sheet, and
temperature and pressure as State Variables on the Stream Input
Specifications sheet. Or you can specify the stream at its bubble
point (Vapor Fraction is 0).
Using Standard If you use the standard liquid volume basis for component flows,
Liquid Volume fractions or total stream flow, you need to enter the standard liquid
volume of a component (VLSTD) on the Properties Parameters
Pure Component Input form.
The standard liquid volume flow (Stdvol-Flow) can be very
different from the volumetric flow rate of a stream. The standard
liquid volume is defined at approximately 60ºF and 1 atm. The
difference increases as the conditions diverge from 60ºF and 1 atm.
If the stream is a vapor or has a significant amount of vapor, the
volumetric flow rate of a stream is extremely different from the
standard liquid volume flow. You can enter standard vapor volume
flows as mole-flow. Select the appropriate units.
To report the [Link]. Volume Flow or [Link] Fraction in
the stream report, select the appropriate options on the Setup
ReportOptions Stream sheet. You can also calculate these Property
Sets:
• VLSTDMX (standard liquid volume of a mixture)
• VLSTD (standard liquid volume of a component)
StdVol-Flow and StdVol-Frac are accessible variables that can be
used in design specifications and Calculator blocks.

9-4 • Specifying Streams Aspen Plus 11.1 User Guide

 The Stream Input Specifications sheet displays the total of the
component flows, fractions, or concentrations entered for the
stream. Use this value to check your input.
Example for Specifying a A process feed stream (FEED) contains 2 lbmol/hr of hydrogen
Process Feed Stream (H2) and 3 lbmol/hr of methane (CH4), at 100F and 14.7 psia.
Aspen Plus performs a two-phase flash to determine stream
properties and phase conditions.

Example for Specifying a A process feed stream contains 5 lbmol/hr of C1, 5 lbmol/hr of C2,
Stream with Two Liquid and 10 lbmol/hr of H2O. Two partially miscible liquid phases are
Phases anticipated. The vapor-liquid-liquid equilibrium is treated
rigorously. Aspen Plus performs a three-phase flash to determine
phase condition.

Aspen Plus 11.1 User Guide Specifying Streams • 9-5

 Specifying Particle Size Distribution
To specify the particle size distribution for a solid substream:
1 Double-click the stream in the flowsheet
2 On the Stream Input form, click the Stream PSD sheet.
3 Enter the weight fractions for the particle sizes. The total
should be 1.0.
For more information about particle size distribution in
Aspen Plus, and how to define your own particle size ranges,
see Defining New Substreams.

Specifying Component Attribute

Values
Use the Stream Input Component Attr. sheet to specify values of
component attributes. You must specify values for each attribute
defined on the Components Attr-Comps selection sheet or
Properties Advanced NC-Props PropertyMethods sheet (see Global
Information for Calculations ).
To specify values of component attributes for a stream:
1 On the Stream Input form, click the Component Attr. sheet.
2 Enter values for each attribute listed.

9-6 • Specifying Streams Aspen Plus 11.1 User Guide

 Example of Specifying On the Stream Input Component Attr. sheet, the elements of the
the GENANAL GENANAL component attribute are specified for the NCPSD
Component Attributes for substream.
a Nonconventional
Substream

On the Properties Advanced NC-Props form, the GENANAL

component attribute is defined as required for the selected
Nonconventional Component Property models.

Aspen Plus 11.1 User Guide Specifying Streams • 9-7

 About Stream Property Analysis
You can calculate and display stream properties interactively as
you create your simulation model. You do not have to complete the
flowsheet definition or input specifications first.
For example, you can flash a feed stream as soon as you define it,
to check your property model. As you develop a flowsheet model
interactively, you can check the phase behavior of intermediate
streams to help you determine feasible specifications.
Stream Analysis The following table shows the types of stream analysis you can
Types perform:
Type Description
Point Stream properties for the total stream and each of the
phases present. Properties include temperature, pressure,
phase fractions, flow rate, heat capacity, density, and
transport properties.
Component Component flow rates for the total stream and each of
Flow the phases present. Mole, mass, and standard volume
fractions are available.
Composition Component fractions for the total stream and each of the
phases present. Mole, mass, and standard volume
fractions are available. Partial pressure is also available.
Petroleum Point properties, plus API gravity, specific gravity,
Watson K factor, and kinematic viscosity
Dist-Curve † Petroleum distillation curves (TBP, D86, D160, and
vacuum)
Bubble/Dew †† Bubble point temperature and dew point temperature
versus pressure curves
PV Curve †† Vapor fraction versus pressure curves at stream
temperature
TV Curve †† Vapor fraction versus temperature curves at stream
pressure
PT-Envelope Pressure-temperature envelope curves For more
†† information, see Generating PT-Envelopes.
† Plots can be generated from this analysis.
†† These analyses automatically display plots of the curves.
You can also perform stream property analyses using property
tables. The Analysis commands automate many of the steps
required to generate a property table, and define built-in plots
appropriate for the analysis.
Use the Property Table forms when you need flexibility not
provided by the Analysis commands.

9-8 • Specifying Streams Aspen Plus 11.1 User Guide

 Analyzing Stream Properties
To calculate and display stream properties interactively:
1 Make sure your Setup, Components, and Properties
specifications are complete.
2 Make sure the specifications or results for the stream you want
to analyze are complete. Either the Stream Input Specifications
sheet for the stream must be complete or the stream must have
results that were calculated in the current session.
3 Click the stream to select it.
4 On the Tools menu, point to Analysis, then Stream, then
choose the type of calculation you want to perform.
This command will be inactive if the conditions in Steps 1 and
2 are not satisfied.
5 Make any selections and specifications you want in the dialog
box.
If you selected Bubble/Dew or PV curve, you must specify a
pressure range. If you selected TV curve, you must specify a
temperature range.
6 Click Go.
7 Print or view results and plots that appear when calculations
are complete.
8 Close the form and plot when you are sure you are finished
with the results. The results are not saved. You must redo the
calculations if you want to look at them again, once you close
the form.

Aspen Plus 11.1 User Guide Specifying Streams • 9-9

 Example of Generating Stream 1 is a 50-50 mixture of ethane and heptane.
Point Analysis of a
Stream

9-10 • Specifying Streams Aspen Plus 11.1 User Guide

 Example of Generating Stream 1 is a 50-50 mixture of ethane and heptane.
PV Curve Stream Temperature is 270 F.

Aspen Plus 11.1 User Guide Specifying Streams • 9-11

 Generating PT-Envelopes
Pressure-temperature (PT) envelopes are generated by following
curves of constant vapor fraction, through the critical point and
back out the complementary branch. These plots are parametric,
consisting of one curve for each vapor fraction and its
complementary branch.
You can generate PT-Envelopes from any property method, except
electrolyte property methods. But PT-Envelopes generated from
activity coefficient-based and other non-equation-of-state property
methods will not pass through the critical point. Instead there will
be separate curves for each vapor fraction and its complementary
branch.
Creating a PT- To create a PT-Envelope from a stream:
Envelope from a 1 Make sure your Setup, Components, and Properties
Stream specifications are complete.
2 Make sure the specifications or results for the stream you want
to analyze are complete. Either the Stream Input Specifications
sheet for the stream must be complete or the stream must have
results that were calculated in the current session.
3 Click the stream to select it.
4 From the Tools menu, point to Analysis, then Stream. This
command will be inactive if the conditions in Steps 1 and 2 are
not satisfied.
5 Choose PT-Envelope.
6 Select the vapor fraction branches.
The Dew/Bubble point curves correspond to vapor fractions of
0 and 1.0. Additional vapor fractions can be specified. The
complementary vapor fraction is automatically calculated for
each vapor fraction specified.
7 Click Go to create the PT-Envelope table and plot. For more
information on customizing the plot, see chapter 12, Working
with Plots.
8 Close the form and plot when you are sure you are finished
with the results. The results are not saved. You must redo the
calculations if you want to look at them again, once you close
the form. To save the input and the table of results, click the
Save as Form button before closing the PT-Envelope Analysis
form and the a form with the input and results will be saved in
the Property Analysis folder.

9-12 • Specifying Streams Aspen Plus 11.1 User Guide

 Example of Creating a PT For example, a table of values and a plot for a P-T envelope is
Envelope generated for vapor fractions of 0.0, 0.2, 0.4, 0.6, 0.8, and 1.0 for a
50-50 mixture of ethane and heptane in stream 2.

Aspen Plus 11.1 User Guide Specifying Streams • 9-13

9-14 • Specifying Streams Aspen Plus 11.1 User Guide
 About Stream Classes
You do not need to specify stream classes if:
• Your simulation does not involve solids
• The only solids are electrolytes salts defined using Chemistry
forms or the Electrolytes Expert System
Stream classes define structures for simulation streams when solids
are present. Solids are:
• Carried in substreams
• Characterized as either conventional or nonconventional
components
• May have a particle size distribution (PSD)
A stream class defines a stream structure in terms of:
• Number of substreams
• Type of component carried in each substream (conventional or
nonconventional)
• Whether the substream carries particle size distribution
information
Use this Setup To
StreamClass sheet
Flowsheet Assign a new Stream Class to a flowsheet section,
and define the substreams in a stream class
Streams Assign streams to a stream class, and define the
substreams in a stream class
Use the Stream Input PSD sheet to define the particle size
distribution weight fractions for a substream.

Using Stream Classes

For help on using Stream Classes, see one of the following topics:
• Use predefined stream classes
• Create your own stream classes
• Assign stream classes globally
• Assign stream classes to flowsheet sections
• Assign stream classes to individual streams

Aspen Plus 11.1 User Guide Specifying Streams • 9-15

 Using Predefined These stream classes are predefined in Aspen Plus and should be
Stream Classes sufficient for most applications:
Use this stream class When
CONVEN The simulation does not involve solids, or the
only solids are electrolytes salts.
MIXCISLD Conventional solids are present, but there is no
particle size distribution.
MIXNC Nonconventional solids are present, but there is
no particle size distribution.
MIXCINC Both conventional and nonconventional solids
are present, but there is no particle size
distribution.
MIXCIPSD Conventional solids are present, with a particle
size distribution.
MIXNCPSD Nonconventional solids are present, with a
particle size distribution.
All unit operation models (except Extract) can handle stream
classes with solid substreams:
These models Require
All except Mixer and ClChng All inlet and outlet streams belonging to
the same stream class
CFuge, Filter, SWash, CCD At least one solids substream
Crusher, Screen, FabFl, At least one solids substream with a
Cyclone, VScrub, ESP, HyCyc particle size distribution
Crystallizer At least one solids substream with a
particle size distribution, if particle sizes
are calculated
Creating or Modifying You need to create or modify a stream class to:
Stream Classes • Add new substreams to a stream class
• Create a stream class with PSD attributes for both CISOLID
and NC type substreams
• Use two or more particle size distribution definitions in a
simulation
The number and types of substreams, together with their attributes,
define a stream class. A stream class can have any number of
substreams but the first substream for each Stream Class must be
of type MIXED.
Each substream:
• Must be assigned a type (MIXED, CISOLID, or NC)
• Can be assigned a particle size distribution (PSD)

9-16 • Specifying Streams Aspen Plus 11.1 User Guide

 You can create a new stream class by listing all its substreams, or
you can modify the substreams in an existing stream class. You
cannot modify a MIXED type substream.
Use the Define StreamClass button on the Flowsheet or Streams
sheet of the Setup StreamClass form, to assign a new stream class
to the structure of a stream by listing its constituent substreams or
to modify the substreams in an existing stream class.
How to Create or Modify To create or modify a substream:
Stream Classes
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser, select the Setup Stream
Class form.
3 On the Flowsheet sheet, click the Define StreamClass button.
4 On the Define StreamClass dialog box, select <new> from the
list in the Stream Class field.
–or–
Use the list in the StreamClass box to select the name of the
Stream Class to be modified.
5 Select the substreams to include in the stream class from the
Available substreams list and use the right arrow button to
move them into the Selected substreams list. The left arrow can
be used to remove substreams from the Selected substream list.
The double arrow can be used to move all of the substreams in
a list at one time.
6 Use the up and down arrow buttons to rearrange the list. Note
that the first substream must be of type MIXED.
7 When finished, on the Define StreamClass dialog box, click
Close.
Specifying a Global You can specify the default stream class globally for all streams in
Stream Class a simulation. You can override the global default for a flowsheet
section or for an individual stream.
The default stream class is the stream class for flowsheet section
GLOBAL. The default stream class is established by the
Application Type you choose when creating a new run. You can
change this default on the Setup Specifications Global sheet.
To specify the default stream class using the Setup Specifications
Global sheet:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser, click the Specifications
folder.
3 On the Global sheet, select a stream class in the Stream Class
field.

Aspen Plus 11.1 User Guide Specifying Streams • 9-17

 Specifying Stream When using more than one stream class in a simulation, divide the
Classes for flowsheet into sections and specify a stream class for each section.
Flowsheet Sections A stream that connects blocks from different sections keeps the
stream class of the section where it originates.
For example, a flowsheet might have an upstream section that
involves solids and a downstream section that does not (after all
solids have been removed). You can assign stream class
MIXCISLD to the upstream section and CONVEN to the
downstream section.
You must use the Mixer and ClChng models to transition between
flowsheet sections that are assigned different stream classes.
To assign a Stream Class to a flowsheet section:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, select the
StreamClass form.
3 Click the Flowsheet sheet.
4 Use the list to select the name of the Stream Class associated
with a given flowsheet section.
Specifying Stream You can override the global or section stream class by specifying a
Classes for Individual stream class for one or more individual streams. To do this, use the
Streams StreamClass Streams sheet.
To assign streams to a Stream Class:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser window, click the
StreamClass form.
3 Click the Streams sheet.
4 Select the streams to include in the stream class from the
Available streams list and use the right arrow button to move
them into the Selected streams list.
Use the left arrow button to remove streams from the stream
class. Use the double arrow button to move all of the streams in
a list at one time.
Streams that are left in the Available streams list will have the
stream class for the flowsheet section (from the Flowsheet
sheet).

9-18 • Specifying Streams Aspen Plus 11.1 User Guide

 Defining New Substreams
You need to define a new substream if:
• A simulation has more than one CISOLID or NC substream.
• You want to add a new PSD definition to a substream.
To create a new substream:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser, select the Substreams
folder.
3 On the Substreams sheet, enter a new substream name in the
Substream field.
4 In the Type field, select a substream type.
Use this type For
MIXED Conventional components that reach
vapor-liquid-solid phase equilibrium
CISOLID Conventional components that appear in the solid
(conventional inert phase but do not participate in phase equilibrium
solids)
NC Nonconventional components
(nonconventional)
5 If the substream type is CISOLID or NC, select a PSD in the
Attribute field if desired.
6 Assign the substream to one or more stream classes. For more
information, see Creating or Modifying Stream Classes.

About Particle Size Distributions

In Aspen Plus, particle size distribution is represented by the
weight fractions per particle size interval, given the number of
intervals and the size range for each interval.
The built-in Aspen Plus particle size distribution has 10 predefined
size intervals. You can modify the built-in particle size distribution
by changing the number of intervals or the size ranges for the
intervals.
In some simulations you may want to have two or more particle
size distribution definitions, with different size ranges. This is
useful if different sections of your flowsheet have very different
particle sizes.
For help on particle size distributions, see one of these topics:

Aspen Plus 11.1 User Guide Specifying Streams • 9-19

 • Specifying particle size distribution
• Changing particle size distribution intervals
• Creating new particle size distributions
Use the Setup Substreams form to create particle size distribution
for a substream. You can specify the number of discrete intervals
into which the particle size distribution is to be divided, and to
specify the upper and lower size limits for each interval.
Changing Particle To specify the number of intervals for the particle size distribution:
Size Distribution 1 From the Data menu, click Setup.
Intervals
2 In the left pane of the Data Browser window, select the
Substreams folder.
3 In the Substreams Object Manager on the PSD sheet, select the
name of the attribute set you want to modify and click Edit.
4 Type the number of intervals for the particle size distribution.
You can also select the size units.
5 Type the limits for the particle size in all of the intervals.
The Lower limit is automatically updated with the value of the
Upper limit for the previous interval and vice versa.
Creating New Particle You can create one or more new particle size distribution
Size Distributions attributes, in addition to the built-in PSD:
1 From the Data menu, click Setup.
2 In the left pane of the Data Browser, select the Substreams
folder.
3 In the Substreams Object Manager, on the PSD sheet, click
New.
4 In the Create New ID dialog box, enter a PSD ID or accept the
default ID.
5 On the PSD sheet, in the Interval Number column, enter the
number of discrete intervals in the particle size distribution.
You can also select the size units.
6 In the Lower Limit column, specify the lower size limit for
each interval.
Aspen Plus fills in the corresponding upper limit value
automatically.
7 In the Upper Limit column, specify the upper size limit for the
last interval.
8 You must assign the new PSD attribute to a substream class, on
the Setup Substreams Substreams sheet.
For more information on defining a new substream, see Defining
New Substreams and Creating or Modifying Stream Classes.

9-20 • Specifying Streams Aspen Plus 11.1 User Guide

 Specifying Heat Streams
In Aspen Plus, material and energy balance reports consider only
energy flows represented by streams. Any duty or power not
represented by a heat or work stream appears on the report as an
imbalance.
Any model that Can have
Calculates heat duty Outlet heat streams
Allows duty input Inlet heat streams
specifications
You can use an inlet heat stream to supply a heat duty specification
to a unit operation block:
To display the Specifications sheet for the heat stream:
1 Double-click the stream in the flowsheet to select it.
2 On the Specifications sheet, specify the heat duty.
If the heat duty is Then heat is
Positive Supplied to the block
Negative Removed from the block
3 In the destination block of the heat stream, leave the
corresponding duty field blank. If you specify both an inlet
heat stream and the heat duty in the destination block, the block
specification is used.
4 Optionally, you can specifying the starting and ending
temperatures corresponding to the source of the heat, for use in
heat transfer calculations and load streams.

Working with Load Streams

Load streams are heat streams which have a temperature and duty
profile associated with them. The presence of a temperature profile
ensures that infeasible heat transfer (from the cold to the hot
streams) does not occur. Heat transfer from a load stream to a
material stream or to other load streams can be modeled using the
MHeatX unit operation model.
A load stream can be used to encapsulate the temperature and duty
information of a material stream as it passes through one or more
unit operation models losing or gaining heat as it moves from inlet
to outlet.
To understand the physical significance of a load stream, consider
a material stream with temperature Tin which passes through a
series of Heater blocks H1, H2, H3, and H4. Suppose the stream
loases a duty of Q1, Q2, Q3, and Q4 in these blocks and emerges

Aspen Plus 11.1 User Guide Specifying Streams • 9-21

 with temperatures T1, T2, T3, and T4, respectively. The
representative load stream vector will then contain the following:
Q1 + Q2 + Q3 + Q4 Tin
Q2 + Q3 + Q4 T1
}H1
Q3 + Q4 T2
}H2
Q4 T3
}H3
0 T4
}H4
Note that since the corresponding material stream is losing heat,
Tin > T1 > T2> T3 > T4, and Q1, Q2, Q3, and Q4 are positive.
This load stream can be used on the hot side of an MHeatX block.
If the material stream was gaining heat, then the opposite would be
true:
Tin < T1 < T2 < T3 < T4, and Q1, Q2, Q3, and Q4 are negative.
This load stream can be used on the cold side of an MHeatX block.
A load stream coming out of a unit operation block encapulates the
Temperature and Duty information of a stream as it moves from
inlet to outlet. The number of points in the outlet load stream
vector can be specified on the Setup Stream Class Load Streams
sheet. Also use this sheet to specify which heat streams are load
streams.
The following blocks are capable of computing outlet load
streams: MHeatX, RadFrac, MultiFrac, Heater, Flash2, Flash3, and
Qtvec. For RadFrac and MultiFrac, it is possible to have a load
stream for each stage or a cumulative load stream for a specified
number of stages.
If load streams are used as inlets to blocks other than MHeatX or
Qtvec, or as outlets of blocks that do not support load streams, they
will be treated as simple heat streams.
The load stream manipulator Qtvec can be used to combine
multiple heat streams into a load stream or to manipulate the
temperature profile of a load stream.

Specifying Work Streams

In Aspen Plus, material and energy balance reports consider only
energy flows represented by streams. Any duty or power not
represented by a heat or work stream appears on the report as an
imbalance.
Any model that Can have
Allows power input specifications Inlet work streams
Calculates power requirements Outlet work streams

9-22 • Specifying Streams Aspen Plus 11.1 User Guide

 To use an inlet work stream to supply a power specification to a
pump or compressor block:
1 Double-click the stream in the flowsheet to select it.
2 On the Specifications sheet, specify the power.
If the power is Then work is
Negative Supplied to a block
Positive Removed from a block
3 In the destination block of the work stream, leave the
corresponding power field blank. If you specify both an inlet
work stream and the power in the destination block, the block
specification is used.
Example of a Heat Stream QREB supplies 1 MMBtu/hr of external heat duty to a
Stream to the Reboiler of RADFRAC block.
a Column

Aspen Plus 11.1 User Guide Specifying Streams • 9-23

 Using PseudoProduct Streams
You can define pseudoproduct streams to represent column
internal flows, compositions, and thermodynamic conditions for
these unit operations models:
• PetroFrac
• RadFrac
• MultiFrac
• RateFrac
• Extract
• CCD
You can use pseudoproduct streams to represent interconnecting
streams in:
• PetroFrac
• MultiFrac
• RateFrac
The stream report includes pseudoproduct streams. Mass balance
calculations for the block do not include the flow rates associated
with pseudo-streams. The presence of pseudo-streams does not
affect block results.
Pseudoproduct streams from one block may be an inlet to another
block. Using a pseudo-stream as a block inlet results in an
imbalance in the overall flowsheet material and energy balance
report.
To define a pseudoproduct stream:
1 When creating the stream select a port labeled Pseudo Streams.
2 For each block that is connected to a pseudostream, complete
the PseudoStream sheet(s) when specifying the block.

About Stream Libraries

Stream libraries store information about the composition and
condition of material streams. If a stream is defined in a library,
you can retrieve information from the library instead of entering
data on the Streams forms. You must specify the stream library in
the Run Settings dialog box before you run the simulation.
Use stream libraries to:
• Retrieve feed streams used frequently
• Transfer stream information from a previous simulation
• Initialize tear streams

9-24 • Specifying Streams Aspen Plus 11.1 User Guide

 A stream library can contain multiple cases. Each case usually
represents the results of a previous simulation. When you retrieve
results from a stream library, you specify the:
• Case(s) from which to retrieve results
• Streams in the current run that the stream library will fill in
• Substreams and components to be retrieved
• Component name translation, when the component IDs in the
simulation are different from those in the library
Accessing Stream To specify that a run retrieves information about stream
Libraries composition and conditions from a stream library:
1 From the Data menu, point to Flowsheeting Options, then
Stream Library.
2 On the Specifications sheet, specify the case for the streams
you want to retrieve.
3 If you are retrieving information for a single stream, enter the
name of the stream from the library in the Stream Name in
Library box.
4 If you specified the Stream Name in Library in Step 3, use the
Include Stream option and enter the name of the stream in the
current simulation. Otherwise select one of these options in the
Streams field:
Option To retrieve all streams with matching
All Streams Stream ID
Include Streams ID from a list you specify
5 In the Substreams and Components fields, specify the
substreams and components you want to retrieve from the
streams library.
– or –
Retrieve all substreams and components by leaving the fields
blank.
6 In the State Variables field, specify the stream state variables
that you want to retrieve from the stream library.

Aspen Plus 11.1 User Guide Specifying Streams • 9-25

 7 In the Component Mapping for Current Case section of the
form, specify the mapping between the component ID in the
current simulation and the component ID in the stream library.
In the column on the left, enter the component ID from the
current simulation. In the column on the right, enter the
corresponding component IDs in the stream library.
– or –
On the Defaults sheet, define a default component mapping.
Aspen Plus uses this mapping as the default for all cases.
8 Repeat Steps 2 through 8 for each case.

9-26 • Specifying Streams Aspen Plus 11.1 User Guide

 C H A P T E R 10

Unit Operation Models

Overview
The unit operation models are used to represent actual pieces of
equipment, such as distillation columns or heat exchangers,
commonly found in processing plants. To run a flowsheet
simulation you must specify at least one unit operation model.
You choose unit operation models for flowsheet blocks when you
define your simulation flowsheet.
Aspen Plus has a wide range of unit operation models to choose
from. See one of the following topics for more information:
• Select the right unit operation model
• Enter model specifications
• Override global specifications at the block level
• Request heating/cooling curve calculations

Choosing the Right Unit Operation

Model
Select appropriate unit operation models from the following table:
Type Model Description
Mixers/SplittersMixer Stream mixer
FSplit Stream splitter
SSplit Substream splitter
Separators Flash2 Two-outlet flash
Flash3 Three-outlet flash
Decanter Liquid-liquid decanter
Sep Multi outlet component separator
Sep2 Two-outlet component separator

Aspen Plus 11.1 User Guide Unit Operation Models • 10-1

Type Model Description
Heat Heater Heater/cooler
Exchangers HeatX Two-stream heat exchanger
MheatX Multistream heat exchanger
HxFlux Heat transfer between a heat source and a heat sink
Hetran Interface to Aspen Hetran shell & tube heat exchanger program
Aerotran Interface to Aspen Aerotran air cooled heat exchanger program
HTRI-Xist Interface to the Xist program
Columns DSTWU Shortcut distillation design
Distl Shortcut distillation rating
RadFrac Rigorous distillation
Extract Rigorous liquid-liquid extractor
MultiFrac Rigorous distillation for complex columns
SCFrac Shortcut distillation for petroleum
PetroFrac Rigorous distillation for petroleum
RateFrac Rate-based distillation
BatchFrac Rigorous batch distillation
Reactors RStoic Stoichiometric reactor
RYield Yield reactor
REquil Equilibrium reactor
RGibbs Equilibrium reactor
RCSTR Continuous-stirred tank reactor
RPlug Plug flow reactor
RBatch Batch reactor
Pressure Pump Pump/hydraulic turbine
Changers Compr Compressor/turbine
MCompr Multistage compressor/turbine
Pipeline Multi segment pipeline pressure drop
Pipe Single segment pipeline pressure drop
Valve Rigorous valve pressure drop
Manipulators Mult Stream multiplier
Dupl Stream duplicator
ClChng Stream class changer
Analyzer Stream calculator
Feedbl Stream calculator
Selector Stream selector
Measurement Plant to model connector
Solids Crystallizer Mixed suspension mixed product removal crystallizer
Crusher Solids crusher
Screen Solids separator
FabFl Fabric filter
Cyclone Cyclone separator
VScrub Venturi scrubber
ESP Electrostatic precipitator
HyCyc Hydrocyclone
CFuge Centrifuge filter
Filter Rotary vacuum filter
SWash Single-stage solids washer
CCD Counter-current decanter

10-2 • Unit Operation Models Aspen Plus 11.1 User Guide

Type Model Description
User models User, User2 User-supplied Fortran unit operation models
User3 Accesses subroutines (such as R3HTUA, supplied with Aspen Plus)
and Aspen EO
Excel Spreadsheets Excel spreadsheets interfaced through User2
ACM flowsheets Flowsheet exported from ACM or AD
CAPE-OPEN unit COM unit operations developed on VB or C++
operation
Hierarchy Hierarchical structure
RateFrac, BatchFrac, Hetran, and Aerotran require a separate
license and can be used only by customers who have purchased the
right to use them through specific license agreements with Aspen
Technology, Inc.

Mixers and Splitters

This topic describes the models that can be used to mix or split
flowsheet streams.
The Mixer unit operation model combines streams. FSplit and
SSplit combine feed streams and then split the resulting stream,
based on your specifications.
Mixer Mixer combines material streams (or heat streams or work
streams) into one outlet stream. If material streams are mixed, you
can use an optional water decant stream to decant free water from
the outlet. You can specify an outlet pressure or pressure drop for
material streams. The mixer model determines the combined outlet
stream temperature and phase condition by performing an adiabatic
phase equilibrium flash calculation on the composite feed streams.
Mixer can be used to model mixing tees, or other types of stream
mixing operations.
FSplit FSplit combines material streams (or heat streams or work
streams) and divides the resulting stream into two or more outlet
streams. All outlets have the same composition and properties.
Use FSplit to model flow splitters and purges or vents. You must
provide specifications for all but one outlet stream. FSplit
calculates the flowrate of the unspecified stream.
SSplit SSplit combines material streams and divides the resulting stream
into two or more outlet streams. SSplit allows specification of
streams with various substreams.
You must specify the splits of each substream, for all but one
outlet stream. SSplit calculates the flowrate of each substream in

Aspen Plus 11.1 User Guide Unit Operation Models • 10-3

 the unspecified outlet stream. For more information about
substreams, see Defining New Substreams.
For example, you can use SSplit to perfectly separate a stream
containing both liquid and solid phases into two streams each
containing only one pure phase. You can also use SSplit to model
other solid stream splitters, bleed valves, purges or vents.

Separators
The Separator Blocks, Sep and Sep2, combine feed streams and
then split the resulting stream, based on your specifications. When
the details of the separation are unknown or unimportant, you can
use Sep and Sep2 instead of rigorous separation models (such as
distillation or absorption models) to save computational time.
The flash models, Flash2 and Flash3, determine the thermal and
phase conditions of a mixture with one or more inlet streams. You
can generate heating or cooling curve tables for these models.
The flash models represent single stage separators such as knock-
out drums. They perform a phase equilibrium flash calculation
based on your specifications. Adiabatic, isothermal and isobaric
flashes, and dew or bubble points, are among the calculations these
models perform.
In general, to fix the thermodynamic condition of inlet streams,
you must specify a combination of any two of:
• Temperature
• Pressure
• Heat duty
• Molar vapor fraction
This table shows you what to set the molar vapor fraction as:
To Determine Set the Molar Vapor Fraction
The dew point of a mixture 1
The bubble point of a mixture 0
The combination of heat duty and molar vapor fraction is not
allowed in the flash models.
Flash2 Flash2 performs rigorous 2 (vapor-liquid) or 3
(vapor-liquid-liquid) phase equilibrium calculations. Flash2
produces one vapor outlet stream, one liquid outlet stream, and an
optional water decant stream.
You can use Flash2 to model flashes, evaporators, knock-out
drums, and any other single-stage separators, with sufficient vapor

10-4 • Unit Operation Models Aspen Plus 11.1 User Guide

 disengagement space. Optionally, you can specify a percentage of
the liquid phase to be entrained in the vapor stream.
Flash3 Flash3 performs rigorous 3 phase vapor-liquid-liquid equilibrium
calculations, to produce one vapor outlet stream and two liquid
outlet streams.
You can use Flash3 to model any single-stage separator with
sufficient vapor-liquid disengagement space as well as two liquid
phase settling space. You can specify entrainment of each liquid
phase in the vapor stream.
The vapor outlet stream can have a flow rate of zero for a decanter
with no vapor-liquid disengagement. If you do not know whether
there is a vapor phase, use the Flash3 model instead of the
Decanter model.
Decanter Decanter models knock-out drums, decanters, and other
single-stage separators with sufficient residence time for separation
of two liquid phases but without a vapor phase.
Decanter determines the thermal and phase conditions of a mixture
with one or more inlet streams, at the specified temperature or heat
duty.
Decanter can calculate liquid-liquid distribution coefficients from:
• Physical property method
• User supplied distribution correlation
• User supplied Fortran subroutine
For information about writing Fortran subroutines, see Aspen Plus
User Models.
Since the Decanter model assumes implicitly that there is no vapor
phase formation, use Flash3 if you suspect any vapor phase
formation.
Sep Sep combines inlet streams and separates the resulting stream into
two or more streams, according to splits you specify for each
component. You can specify the splits for each component in each
substream.
You can use the Sep model to represent component separation
operations such as a distillation column when fractionation
achieved or desired by the column is known but the details of the
column energy balance are unknown or unimportant.
Sep2 Sep2 combines inlet streams and separates the resulting stream into
two outlet streams. Sep2 is similar to Sep, but offers a wider
variety of specifications, such as component purity or recovery.
These specifications make it even easier to represent component
separation operations such as a distillation column when

Aspen Plus 11.1 User Guide Unit Operation Models • 10-5

 fractionation achieved or desired by the column is known but the
details of the separation are unknown or unimportant.

Heat Exchangers
All heat exchangers determine the thermal and phase conditions of
a mixture with one or more inlet streams. The heat exchanger
models simulate the performance of heaters or two or multi stream
heat exchangers. You can generate heating or cooling curve tables
for all models described in this topic.
Heater Heater performs these types of single phase or multiphase
calculations:
• Bubble or dew point calculations
• Add or remove any amount of user specified heat duty
• Match degrees of superheating or subcooling
• Determine heating or cooling duty required to achieve a certain
vapor fraction
Heater produces one outlet stream, with an optional water decant
stream. The heat duty specification may be provided by a heat
stream from another block.
You can use Heater to model:
• Heaters or coolers (one side of a heat exchanger)
• Valves when you know the pressure drop
• Pumps and compressors whenever you do not need
work-related results
You can also use Heater to set or change the thermodynamic
condition of a stream.
HeatX HeatX can perform shortcut or detailed rating calculations for most
types of two-stream heat exchangers. The main difference between
the two calculation methods is the procedure for the calculation of
the overall heat transfer coefficient.
The shortcut method always uses a user specified (or default) value
for the overall heat transfer coefficient.
The detailed method uses rigorous heat transfer correlations for
film coefficients and combines the resistances due to shell and tube
side films with the wall resistance to calculate the overall heat
transfer coefficient. You need to know the geometry to use the
detailed method.
You must specify the hot and cold inlet streams and one of these
performance specifications for your heat exchanger:

10-6 • Unit Operation Models Aspen Plus 11.1 User Guide

 • Outlet temperature or temperature change of the hot or cold
stream
• Molar vapor fraction of the hot or cold stream
• Degree of superheating (subcooling) of cold (hot) stream
• Heat exchanger duty
• Surface heat transfer area
• Temperature approach at the hot or cold stream outlet
Shortcut Method for For the shortcut method you may specify a pressure drop for each
HeatX side of the heat exchanger. The HeatX model determines the outlet
stream conditions based on heat and material balances and uses a
constant value for the heat transfer coefficient to estimate the
surface area requirement. You may also provide phase specific
heat transfer coefficients.
Detailed Method for HeatX can also perform detailed rating calculations by modeling a
HeatX wide variety of shell and tube heat exchanger types rigorously,
including:
• Countercurrent and co-current
• Segmental baffle TEMA E, F, G, H, J, and X shells
• Rod baffle TEMA E and F shells
• Bare and low-finned tubes
HeatX can perform a full zone analysis with heat transfer and
pressure drop estimation for single and two-phase streams. For
rigorous heat transfer and pressure drop calculations, you must
supply the exchanger geometry.
HeatX has correlations to estimate sensible heat, nucleate boiling,
and condensation film coefficients.
HeatX cannot:
• Perform design calculations (use Hetran or Aerotran)
• Perform mechanical vibration analysis
• Estimate fouling factors

Aspen Plus 11.1 User Guide Unit Operation Models • 10-7

 Example of Specification Use the detailed calculation type to rate the performance of
for a Shell and Tube Heat countercurrent shell and tube heat exchanger, where the hot fluid is
Exchanger on the shell side.

Specify the shell TEMA type, diameter, and orientation.

10-8 • Unit Operation Models Aspen Plus 11.1 User Guide

 Specify tube side data.

Specify baffle type, spacing and dimensions:.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-9

 Specify the shell and tube side nozzle diameters:

MHeatX MHeatX represents heat transfer between multiple hot and cold
streams, as in an LNG exchanger. It can also model two-stream
heat exchangers. You can decant free water from any outlet stream.
An MHeatX block is divided into multiple heaters connected by
heat streams. This configuration usually leads to faster flowsheet
convergence.
MHeatX does not use or calculate heat transfer coefficients, but it
can calculate the overall UA for the exchanger and perform a
detailed zone analysis.
HxFlux HxFlux is used to perform heat transfer calculations between a heat
sink and a heat source, using convective heat transfer. The driving
force for the convective heat transfer is calculated as a function of
log-mean temperature difference or LMTD.
You can specify variables among the inlet and outlet stream
temperatures, duty, heat transfer coefficient, and heat transfer area.
HxFlux calculates the unknown variable and determines the log
mean temperature differences, using either the rigorous or the
approximate method.
Hetran Hetran is the interface to the Aspen Hetran program for designing
and simulating shell and tube heat exchangers. Use Hetran to
simulate shell and tube heat exchangers with a wide variety of
configurations.

10-10 • Unit Operation Models Aspen Plus 11.1 User Guide

 To use Hetran:
1 Place the block in the flowsheet.
2 Connect inlet and outlet streams.
3 Specify the name of the B-JAC input file for that exchanger
and a few optional parameters.
Information related to the heat exchanger configuration and
geometry are entered through the Hetran program interface. The
exchanger specification is then saved in the Hetran input file
format.
You do not have to enter information about the exchanger’s
physical characteristics for the blocks or through input language.
That information is retrieved from the B-JAC input file that you
specify.
Aerotran Aerotran is the interface to the Aspen Aerotran program for
designing and simulating air-cooled heat exchangers.
Aerotran can be used to simulate air-cooled heat exchangers with a
wide variety of configurations. It can also be used to model
economizers and the convection section of fired heaters.
To use Aerotran:
1 Place the block in the flowsheet.
2 Connect the inlet and outlet streams.
3 Specify the name of the B-JAC input file for that exchanger
and a few optional parameters.
Information related to the air cooler configuration and geometry
are entered through the Aerotran program interface. The air cooler
specification is saved in the Aerotran input file format. You do not
have to enter information about the air cooler’s physical
characteristics. That information is retrieved from the B-JAC input
file that you specify.
HTRI-Xist HTRI-Xist is the interface to the Xist program from the Heat
Transfer Research Institute (HTRI) for designing and simulating
shell and tube heat exchangers. Use HTRI-Xist to simulate shell
and tube heat exchangers with a wide variety of configurations.
To use HTRI-Xist:
1 Place the block in the flowsheet.
2 Connect inlet and outlet streams.
3 Specify the name of the Xist input file for that exchanger and a
few optional parameters.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-11

 Information related to the heat exchanger configuration and
geometry are entered through the Xist program interface. The
exchanger specification is then saved in the Xist input file format.
You do not have to enter information about the exchanger’s
physical characteristics for the blocks or through input language.
That information is retrieved from the Xist input file that you
specify.

Columns
The models for shortcut distillation are DSTWU, Distl, and
SCFrac.
DSTWU and Distl:
• Are for single columns
• Can perform free-water calculations in the condenser
• Allow you to use water decant streams to decant free water
from the condenser
SCFrac performs shortcut distillation calculations for petroleum
refining units, such as crude units and vacuum towers.
Aspen Plus provides four rigorous multistage separation models:
Model Purpose
RadFrac General vapor-liquid multistage separation
MultiFrac General systems of interlinked multistage
distillation units
PetroFrac Petroleum refining fractionation units
RateFrac Rate-based non-equilibrium separation
Extract is a rigorous model for simulating liquid-liquid extractors.
It is appropriate only for rating calculations.
DSTWU DSTWU performs a Winn-Underwood-Gilliland shortcut design
calculation for a single-feed, two-product distillation column, with
a partial or total condenser. For the specified recovery of the light
and heavy key components, DSTWU estimates the minimum for
either:
• Reflux ratio
• Number of theoretical stages
DSTWU estimates one of the following requirements:
• Reflux ratio given the number of theoretical stages
• Number of theoretical stages given the reflux ratio

10-12 • Unit Operation Models Aspen Plus 11.1 User Guide

 DSTWU also estimates:
• Optimum feed stage location
• Condenser and reboiler duties
DSTWU can produce tables and plots of reflux ratio versus
number of stages.
Distl Distl is a shortcut multicomponent distillation rating model. This
model uses the Edmister approach to separate an inlet stream into
two products. You must specify:
• Number of theoretical stages
• Reflux ratio
• Overhead product rate
Distl estimates the condenser and reboiler duties. You can specify
a partial or a total condenser.
SCFrac SCFrac models petroleum refining towers, such as crude units and
vacuum towers. SCFrac performs shortcut distillation calculations
for columns with a single feed, one optional stripping steam
stream, and any number of products.
SCFrac models an n-product refining tower with n–1 sections.
Based on your product specifications and fractionation indices,
SCFrac estimates:
• Product composition and flows
• Number of stages per section
• Heating or cooling duty for each section
SCFrac does not handle solids.
RadFrac RadFrac is a rigorous model for simulating all types of multistage
vapor-liquid fractionation operations. In addition to ordinary
distillation, it can simulate:
• Absorption
• Reboiled absorption
• Stripping
• Reboiled stripping
• Extractive and azeotropic distillation
RadFrac is suitable for:
• Three-phase systems
• Narrow-boiling and wide-boiling systems
• Systems exhibiting strong liquid phase nonideality

Aspen Plus 11.1 User Guide Unit Operation Models • 10-13

 RadFrac can detect and handle a free-water phase or other second
liquid phase anywhere in the column. You can decant free water
from the condenser.
RadFrac can handle solids on every stage.
RadFrac can model columns where chemical reactions are
occurring. Reactions can have fixed conversions, or they can be:
• Equilibrium
• Rate-controlled
• Electrolytic
RadFrac can model columns where two liquid phases exist and
different chemical reactions occur in the two liquid phases.
RadFrac can also model salt precipitation.
RadFrac can operate in rating mode or design mode.
Rating Mode In rating mode RadFrac calculates:
• Temperature
• Flow rate
• Mole fraction profiles
These profiles are based on specified column parameters, such as
reflux ratio, product rates, and heat duties.
All rating mode flow specifications can be in mole, mass, or
standard liquid volume units.
You can specify component or stage efficiencies.
RadFrac accepts both Murphree and vaporization efficiencies. You
can manipulate Murphree efficiencies to match plant performance.
Design Mode In design mode, you can specify temperatures, flow rates, purities,
recoveries, or stream properties anywhere in the column. Examples
of stream properties are volume flow and viscosity. You can
specify all flow, flow ratio, composition, and recovery
specifications in mole, mass, or standard liquid volume units.
RadFrac has extensive capabilities for sizing and rating trays and
packings. You can choose from several common tray types, and
random and structured packings.

10-14 • Unit Operation Models Aspen Plus 11.1 User Guide

 Example of Specifying a The following example shows the specifications for a reactive 3-
Reactive 3-phase phase distillation column without a bottoms product and a reflux
Distillation Column ratio of 45. The column has 18 equilibrium stages and a total
condenser and a kettle reboiler.

All stages from the condenser (stage 1) through stage 18 are

checked for presence of an aqueous second liquid phase.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-15

 A liquid decanter is specified on equilibrium stage 10 which
returns 30% of total liquid flow.

The reactions occur only in the reboiler. The reaction rate and
stoichiometry are referenced from a Reaction ID defined in the
Reactions folder.

10-16 • Unit Operation Models Aspen Plus 11.1 User Guide

 The total liquid holdup (reaction volume) is 1 m3.

MultiFrac MultiFrac is a rigorous model for simulating general systems of

interlinked multistage fractionation units. MultiFrac models a
complex configuration consisting of:
• Any number of columns, each with any number of stages
• Any number of connections between columns or within
columns
• Arbitrary flow splitting and mixing of connecting streams
MultiFrac can handle operations with:
• Side strippers
• Pumparounds
• Bypasses
• External heat exchangers
• Single-stage flashes
• Feed furnaces
Typical MultiFrac applications include:
• Heat-integrated columns, such as Petlyuk towers
• Air separation column systems
• Absorber/stripper combinations
• Ethylene plant primary fractionators
You can also use MultiFrac for petroleum refining fractionation
units, such as atmospheric crude units and vacuum units. But for
these applications PetroFrac is more convenient to use. Use
MultiFrac only when the configuration is beyond the capabilities
of PetroFrac.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-17

 MultiFrac can detect a free-water phase in the condenser or
anywhere in the column. It can decant the free-water phase on any
stage.
Although MultiFrac assumes equilibrium stage calculations, you
can specify either Murphree or vaporization efficiencies. You can
use MultiFrac for sizing and rating trays and packings. MultiFrac
can model both random and structured packings.
PetroFrac PetroFrac is a rigorous model designed for simulating complex
vapor-liquid fractionation operations in the petroleum refining
industry. Typical operations include:
• Preflash tower
• Atmospheric crude unit
• Vacuum unit
• FCC main fractionator
• Delayed coker main fractionator
• Vacuum lube fractionator
You can also use PetroFrac to model the primary fractionator in
the quench section of an ethylene plant.
PetroFrac can model the feed furnace together with the
fractionation towers and strippers in an integrated fashion. With
this feature, you can easily analyze the effect of furnace operating
parameters on tower performance.
PetroFrac can detect a free-water phase in the condenser or
anywhere in the column. It can decant the free-water phase on any
stage.
Although PetroFrac assumes equilibrium stage calculations, you
can specify either Murphree or vaporization efficiencies.
You can use PetroFrac to size and rate columns consisting of trays
and/or packings. PetroFrac can model both random and structured
packings.

10-18 • Unit Operation Models Aspen Plus 11.1 User Guide

 Example of Specifying an This example illustrates the specifications for an atmospheric crude
Atmospheric Crude Oil oil tower consisting of 25 equilibrium stages (including a total
Tower condenser) in the main column, 2 pumparounds, and three side
strippers. The top distillate rate is set at 19,000 BPD.

The column feed passes through a furnace which operates at 3.2

atm and the overflash stream is specified to be 4% of the column
feed by volume.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-19

 The first pumparound rate is 7,205 BPD and is a partial stream
drawn from stage 3 and is returned to stage 2 at 90 C.

The first sidestripper has 2 equilibrium stages and strips light ends
from the 7,200 BPD of Kerosene product stream which is drawn
from stage of the main column. The stripped vapors are returned to
main column on stage 8. The reboiler duty is 1.2 MMkcal/hr.

10-20 • Unit Operation Models Aspen Plus 11.1 User Guide

 The main column is to be sized based on 2-pass Koch Flexitray
trays on stages 2 through 21.

RateFrac RateFrac is a rate-based model for non-equilibrium separation. It

simulates actual tray and packed columns, rather than idealized
representations.
RateFrac:
• Explicitly accounts for the interphase mass and heat transfer
processes.
• Simulates single and interlinked columns involving
vapor-liquid fractionation operations such as absorption,
distillation, and stripping.
Use RateFrac for
• Systems with both a vapor and a liquid phase. RateFrac can
detect a free-water phase only in the condenser.
• Nonreactive systems
• Reactive systems
• Electrolyte systems
RateFrac does not use empirical factors, such as efficiencies and
the Height Equivalent of a Theoretical Plate (HETP). RateFrac
treats separation as a mass and heat transfer rate process, instead of
an equilibrium process. The degree of separation achieved between
the contacting phases depends on the extent of mass and heat
transfer between phases. The transfer rates between phases are
strongly affected by the extent to which the phases are not in
equilibrium. RateFrac assumes that thermodynamic equilibrium

Aspen Plus 11.1 User Guide Unit Operation Models • 10-21

 prevails only at the vapor-liquid interface separating the contacting
phases.
Batch Distillation - BatchFrac™ is the unit operation model for batch distillation. It is
BatchFrac a a rigorous model for simulating multistage batch distillation
columns.
BatchFrac uses a robust and efficient algorithm to solve the
unsteady-state heat and material balance equations that describe
the behavior of batch distillation processes. Rigorous heat
balances, material balances, and phase equilibrium relationships
are applied at each stage.
BatchFrac can handle a wide variety of batch distillation problems,
including these systems:
• Narrow-boiling
• Wide-boiling
• Highly non-ideal
• Three-phase
• Reactive
BatchFrac can detect the presence of a free-water phase in the
condenser, or of any second liquid phase anywhere in the column.
BatchFrac has complete flexibility in handling interstage decanters.
Use BatchFrac to simulate batch distillation columns with
equilibrium-controlled reactions or rate-controlled reactions. These
reactions can occur on any stage, including the reboiler and
condenser.
BatchFrac assumes:
• Equilibrium stages are used. (However, you can specify
vaporization efficiencies.)
• There is constant liquid holdup and no vapor holdup.
• Column hydraulics are not modeled.
Extract Extract is a rigorous model for simulating liquid-liquid extractors.
It is appropriate only for rating calculations.
Extract can have multiple feeds, heater/coolers, and sidestreams.
To calculate distribution coefficients, use one of the following:
• An activity coefficient model
• An equation of state capable of representing two liquid phases
• A built-in temperature-dependent polynomial
• A Fortran subroutine
Extract accepts specifications for component or stage efficiencies.

10-22 • Unit Operation Models Aspen Plus 11.1 User Guide

 Reactors
Chemical reactions occur under diverse conditions in many
different types of equipment.
Aspen Plus provides seven models for chemical reactor
simulations:
Model Purpose
RStoic Conversion reactor with known stoichiometry
RYield Yield reactor with known product yields
REquil Two-phase chemical equilibrium reactor (stoichiometric)
RGibbs Multiphase chemical equilibrium reactor (non-stoichiometric)
RCSTR Continuous stirred tank reactor with known kinetics
RPlug Plug flow reactor with known kinetics
RBatch Batch or semi-batch reactor with known kinetics
RStoic, RYield, RGibbs, and RCSTR can have any number of
material feed streams, which are mixed internally. Heats of
reaction are not required for any reactor model. Aspen Plus
calculates heats of reaction using heats of formation.
For RCSTR, RPlug, and RBatch, you must provide reaction
kinetics information using:
• The built-in power law model
• The built-in generalized
Langmuir-Hinschelwood-Hougen-Watson (LHHW) model
• A user-written Fortran subroutine (For more information, see
Aspen Plus User Models)
RStoic RStoic models a reactor when:
• Reaction kinetics are unknown or unimportant.
• Stoichiometry is known.
• You can specify the extent of reaction or conversion.
Rstoic can handle reactions that occur independently in a series of
reactors. It can also perform product selectivity and heat of
reaction calculations.
RYield RYield models a reactor by specifying reaction yields of each
component. This model is useful when:
• Reaction stoichiometry and kinetics are unknown.
• Yield distribution data or correlations are available.
REquil REquil models reactors when some or all reactions reach
equilibrium. REquil can calculate single-phase chemical
equilibrium, or simultaneous phase and chemical equilibria.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-23

 REquil calculates equilibrium by solving stoichiometric chemical
and phase equilibrium equations.
RGibbs RGibbs models single-phase chemical equilibrium, or
simultaneous phase and chemical equilibria. You must specify the
reactor temperature and pressure, or pressure and enthalpy. RGibbs
minimizes Gibbs free energy, subject to atom balance constraints.
This model does not require reaction stoichiometry. RGibbs can
determine phase equilibrium without chemical reaction,
particularly for multiple liquid phases. Any number of liquid
phases are allowed.
You can model solids in RGibbs either as single condensed species
and/or as solid solution phases.
You can also assign components to be in particular phases in
equilibrium. You can use different property models for each liquid
or solid solution phase. This capability makes RGibbs particularly
useful for:
• Pyrometallurgical applications
• Modeling ceramics and alloys
RGibbs accepts restricted equilibria specifications. You can restrict
equilibrium by specifying:
• Fixed moles of any product
• Percentage of a feed component that does not react
• Temperature approach to equilibrium for the entire system
• Temperature approaches for individual reactions
• Fixed extents of reaction
RCSTR RCSTR rigorously models a continuous-stirred tank reactor. You
can use this model when:
• Reaction kinetics are known.
• The contents of the reactor have the same properties as the
outlet stream.
RCSTR can model equilibrium reactions simultaneously with
rate-based reactions.
RCSTR computes one of the following for the reactor:
• Heat duty given the temperature
• Temperature given the heat duty
RPlug RPlug rigorously models plug flow reactors. A cooling stream
around the reactor is optional. You can also use RPlug to model
reactors with cocurrent and countercurrent coolant streams. RPlug
handles rate-based kinetic reactions only.

10-24 • Unit Operation Models Aspen Plus 11.1 User Guide

 RBatch RBatch rigorously models batch or semi-batch reactors. Holding
tanks are used to interface the batch reactor with the steady-state
streams of an Aspen Plus simulation.
For semi-batch reactors, you can specify a continuous vent and any
number of continuous or delayed feeds. RBatch handles rate-based
kinetic reactions only.

Pressure Changers
Pump and compressor models change pressures when
energy-related information, such as power requirement, is needed
or known. Free water can be decanted from the Pump or Compr
products, or from the MCompr intercoolers. For pressure changes
only use other models, such as Heater or Valve.
Pipeline calculates the pressure drop and heat transfer in a pipe
segment or a pipeline. Pipeline can model any number of segments
to describe the pipe geometry.
Pipe calculates the pressure drop and heat transfer for a single pipe
segment with fittings.
Valve rigorously models the pressure drop in control valves.
Pump Pump simulates a pump or hydraulic turbine. This model calculates
either the power requirement or the power produced, given an
outlet pressure specification. Pump can calculate the outlet
pressure, given a power specification.
Compr Compr simulates a:
• Polytropic compressor
• Polytropic positive displacement compressor
• Isentropic compressor
• Isentropic turbine
Compr calculates either the power requirement given an outlet
pressure specification, or the outlet pressure given a power
specification.
MCompr MCompr simulates a:
• Multistage polytropic compressor
• Polytropic positive displacement compressor
• Isentropic compressor
• Isentropic turbine
MCompr has an intercooler between each compression stage. An
aftercooler following the last compression stage is optional. The
coolers can have liquid knockout outlet streams. You can introduce

Aspen Plus 11.1 User Guide Unit Operation Models • 10-25

 feed streams between stages. A variety of specification options are
available for both the compression and cooling stages.
Pipeline Pipeline calculates the pressure drop and heat transfer in a pipe
segment or a pipeline. Pipeline can model any number of segments
to describe the pipe geometry.
Pipeline handles a single inlet and outlet material stream. Pipeline
assumes the flow is one-dimensional, steady-state, and fully
developed (no entrance effects are modeled).
Pipeline can perform one- or two-phase calculations.
If the inlet pressure is known, Pipeline calculates the outlet
pressure. If the outlet pressure is known, Pipeline calculates the
inlet pressure and updates the inlet stream.
Pipe Pipe calculates the pressure drop and heat transfer in a single pipe
segment or annular space. Multi-phase, one-dimensional, steady-
state and fully developed pipeline flow with fittings can be
modeled.
Valve Valve calculates the pressure drop or valve coefficient (Cv) for a
control valve. Multi-phase, adiabatic flow in ball, globe and
butterfly valves can be modeled.

Manipulators
Stream manipulators modify or change stream variables for
convenience. They do not represent real unit operations.
Mult Mult multiplies streams by a factor you specify. The heat and
material balances are not maintained. The outlet stream has the
same composition and properties as the inlet.
Dupl Dupl copies the inlet stream to any number of outlet streams. This
model does not satisfy material and energy balances. Dupl is useful
for simultaneously processing a given stream in different types of
units.
ClChng ClChng changes the class of streams between blocks and flowsheet
sections. It copies substreams from the inlet stream to the
corresponding substreams of the outlet stream.
Analyzer Analyzer is used to caluclate the values of material stream
component fractions and stream properties for use in the equation-
oriented (EO) simulation and optimization modes of Aspen Plus.
The block has no effect on the stream in the Aspen Plus Run. This
model has one inlet and one outlet material stream. This is a mole
flow-based model.

10-26 • Unit Operation Models Aspen Plus 11.1 User Guide

 Feedbl Feedbl is used to define feed streams for the Aspen Plus flowsheet.
This model is similar to the Analyzer model except that it includes
an extra equation to compute the inlet stream total molar flow.
This ensures that the inlet stream component and total molar flows
are consistent. The model has no effect on the stream in the Aspen
Plus run. This model has one inlet and one outlet material stream.
This is a mole flow-based model.
Selector Selector is a switch between different inlet streams. Any number of
streams may enter the block, and one designated stream from
among these is copied to the outlet stream. The Selector block can
be used with material, heat, or work streams.
Measurement Measurement is a block that allows you to connect actual plant
measurements to the measurements in an Aspen Plus model. It is
used to tune the model so that the model more closely resembles
the conditions measured in an actual plant.

Solids
This table shows the solids models and what they do:
This model Models
CCD Multistage solids washers that recover dissolved
components from an entrained liquid of a solids stream
CFuge The separation of liquids from solids
Crystallizer A mixed suspension, mixed product removal (MSMPR)
crystallizer.
Crusher Breaking solid particles in a crusher
Cyclone Solids separation from a gas stream
ESP Solids separation from a gas stream
FabFl Solids separation from a gas stream
Filter The separation of liquids from solids
HyCyc The separation of liquids from solids
Screen Separating solid particles in a screen
SWash Solids washers that recover dissolved components from an
entrained liquid of a solids stream
Vscrub Solids separation from a gas stream
Crystallizer Crystallizer models a mixed suspension, mixed product removal
(MSMPR) crystallizer. It performs mass and energy balance
calculations. You have the option of determining the crystal size
distribution.
Crystallizer assumes that the product magma leaves the crystallizer
in equilibrium. The mother liquor in the product magma is
saturated.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-27

 The feed to Crystallizer mixes with recirculated magma and passes
through a heat exchanger before it enters the crystallizer. The
product stream from Crystallizer contains liquids and solids. You
can pass this stream through a hydrocyclone, filter, or other
fluid-solid separator to separate the phases. Crystallizer can have
an outlet vapor stream.
Crusher Crusher simulates the breaking of solid particles.
Crusher models the wet or dry continuous operation of:
• Gyratory jaw crushers
• Single-roll crushers
• Multiple-roll crushers
• Cage mill impact breakers
Crusher assumes the feed is homogeneous. The breaking process
creates fragments in the outlet solids stream with the same
composition as in the feed stream.
Crusher does not account for heat produced by the breaking
process.
Screen Screen simulates the separation of various sizes of solid particles in
a mixture. Each of the two outlet streams contain particles of a
more uniform size.
Screen calculates the separation efficiency of the screen from the
sizes of screen openings you specify.
FabFl FabFl simulates baghouse fabric filter units.
A baghouse has a number of cells. Each cell contains a
vertically-mounted, cylindrical fabric filter bag. The filter bags
work in parallel to separate solid particles from a gas stream. Use
FabFl to rate or size baghouses.
Cyclone Cyclone simulates cyclone separators. Cyclone separators remove
solid particles from a gas stream using the centrifugal force of a
gas vortex.
VScrub VScrub simulates venturi scrubbers.
Venturi scrubbers remove solid particles from a gas stream by
direct contact with an atomized liquid stream.
Use VScrub to rate or size venturi scrubbers.
ESP ESP simulates dry electrostatic precipitators.
Dry electrostatic precipitators separate solids from a gaseous
stream. Electrostatic precipitators have vertically mounted
collecting plates with discharge wires. The wires are parallel and
positioned midway between the plates. The corona discharge of the

10-28 • Unit Operation Models Aspen Plus 11.1 User Guide

 high-voltage wire electrodes first charges the solid particles in the
inlet gas stream. Then the electrostatic field of the collecting plate
electrodes removes the solids from the gas stream.
Use ESP to size or rate electrostatic precipitators.
HyCyc HyCyc simulates hydrocyclones. Hydrocyclones separate solids
from the inlet liquid stream by the centrifugal force of a liquid
vortex. Use HyCyc to rate or size hydrocyclones.
CFuge CFuge simulates centrifuge filters. Centrifuge filters separate
liquids and solids by the centrifugal force of a rotating basket.
CFuge assumes the separation efficiency of the solids equals 1, so
the outlet filtrate stream contains no residual solids. Use CFuge to
rate or size centrifuge filters.
Filter Filter simulates continuous rotary vacuum filters. Filter assumes
the separation efficiency of the solids equals 1, so the outlet filtrate
stream contains no residual solids. Use Filter to rate or size rotary
vacuum filters.
SWash SWash models the separation of solid particles from an entrained
liquid of a solids stream.
SWash does not consider a vapor phase.
CCD CCD simulates a counter-current decanter or a multistage washer.
CCD calculates the outlet flow rates and compositions from:
• Pressure
• Mixing efficiency
• Number of stages
• The liquid-to-solid mass ratio of each stage
CCD can calculate the heat duty from a temperature profile. CCD
does not consider a vapor phase.

User Models
Aspen Plus provides several methods for you to create your own
unit operation models:
• Fortran
• Excel
• COM Models based on the CAPE-OPEN standard
• Exported Aspen Modeler flowsheets (from products such as
Aspen Custom Modeler and Aspen Dynamics)
These models can simulate any unit operation model. For each
type of model, you write your own program or spreadsheet to

Aspen Plus 11.1 User Guide Unit Operation Models • 10-29

 calculate the values of outlet streams, based on the specified inlet
streams and parameters.
Fortran and Excel Fortran unit operation models use a Fortran subroutine to perform
Unit Operation the calculations for the model. These models may be included in a
Models simulation by using the User or User2 block in Aspen Plus. See
Aspen Plus User Models, Chapter 5, for detailed information about
writing these models.
Excel unit operation models use an Excel spreadsheet to perform
the calculations required by the model. These models also use the
User2 block in Aspen Plus. See Aspen Plus User Models, Chapter
5, for detailed information about writing these models.
CAPE-OPEN COM COM models written in Visual Basic implementing the CAPE-
Unit Operation OPEN standard can be imported into Aspen Plus.
Models
To use these models in Aspen Plus:
1 Build a .dll file from Visual Basic.
2 Register that file on your computer as a CAPE-OPEN COM
unit operation.
See Aspen Plus User Models, Chapter 26, for detailed information
about writing these models and registering them properly.
Registered CAPE-OPEN models appear in the CAPE-OPEN
category of the Model Library. Add them to the flowsheet as you
would do with any other model.

Note: If you do not see the CAPE-OPEN category on the Model

Palette in Aspen Plus, select References from the Library menu
and select the category in that dialog box.

DAIS Trader When you place a CAPE-OPEN unit operation on the Process
Requirements of CAPE- Flowsheet in Aspen Plus, you may notice a sequence of messages
OPEN Models on the status bar. Aspen Plus shows these messages because
CAPE-OPEN unit operations work differently than other Aspen
Plus unit operations. These models require the DAIS Trader, a
program which provides CORBA services.
To create an instance of a CAPE-OPEN unit operation, Aspen Plus
starts the Simulation Engine, if necessary, and sends it an input
file. The input file contains the class id of the unit operation being
created. The Simulation Engine processes the file and creates an
instance of the class identified by the class id. Once the unit has
been created, the Simulation Engine makes it available to clients
by telling the DAIS Trader that it exists. When the engine has
created the unit operation, the Aspen Plus User Interface connects
to the trader and establishes a connection with the unit operation.
This connection is used to query the unit for its list of ports, its list

10-30 • Unit Operation Models Aspen Plus 11.1 User Guide

 of parameters and to ask the unit to display its own user interface
forms.
If the DAIS Trader service is not running, the User Interface will
not be able to establish a connection and will display a dialog box
saying that that it cannot bind to the trader. In these circumstances,
Aspen Plus will display the CAPE-OPEN unit on the Process
Flowsheet, but you will not be able to connect streams to it, or to
display any of its forms. In the Data Browser window the port and
parameter grids will be empty. If this happens, delete the CAPE-
OPEN unit operation and check that the DAIS Trader service is
correctly installed and is running.

Use this button: to import a CAPE-OPEN compliant property

package. Aspen Plus can use this package to calculate physical
properties instead of native physical property methods. To do so:
1 Click this button. The Available Property Packages dialog box
appears.
2 Expand the property system tree to display all the available
property packages owned by a given property system.
3 Select the property package being imported.
4 Click OK. The property method from the foreign property
package is named Cape-1 on the Properties Specifications
Global sheet.
For more information, see Aspen Plus User Models, chapter 27.

Use this button: to export a property package prepared in

Aspen Plus as a CAPE-OPEN compliant property package. Other
applications, such as another process simulator or an in-house
program, can then use this package. To do so:
1 Select the components, property methods, and provide all the
necessary property data and parameters.
2 Create a CAPE-OPEN property package.
3 Click this button. The CO Aspen Property Package Manager
appears.
4 Click Save to save the property package.
5 Close the Property Package Manager to return to Aspen Plus.
For more information, see Aspen Plus User Models, chapter 27.
Aspen Modeler Flowsheets developed in Aspen Modeler products (such as Aspen
Flowsheets Custom Modeler [ACM] or Aspen Dynamics) can be exported and
used as unit operations in Aspen Plus. See the documentation for
the Aspen Modeler product for detailed information on exporting a
flowsheet.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-31

 To use an exported Aspen Modeler flowsheet in Aspen Plus, the
Aspen Plus simulation needs to refer to the User Model Library
containing the Aspen Modeler flowsheet. In Aspen Plus follow
these steps:
1 From the Library menu, click References.
2 Click Browse and navigate to the directory where your User
Model Library is located, select the file and use Open to load it
into Aspen Plus. Also, select the checkbox for ACM
Flowsheets in the list of available libraries.
3 Select the ACM Flowsheets tab on the Model Library and
select the flowsheet that you want to use.
You can edit the User Model Library in Aspen Plus by selecting
the library name on the Library menu and then selecting Edit from
the pop-up menu. See Creating and Manipulating User Libraries
for more information on editing library files.
Modifying an Exported You may need to make changes to an Aspen Modeler flowsheet
Aspen Modeler after you have exported it. For example, you might want to use a
Flowsheet different set of components or you may need to change the
specification of the variables. Some changes to the flowsheet can
be made within Aspen Plus, but others can only be made in your
Aspen Modeler product.
Within Aspen Plus you can use input forms from an exported
Aspen Modeler flowsheet to:
• Change the values of variables
• Change the bounds on variables
• Change the specification of variables
• Change flash calculation options
You must use your Aspen Modeler product if you want to:
• Change the value of a parameter
• Change the components used in the exported flowsheet
• Change the Physical Property options used in the flowsheet
If you make any of these changes in your Aspen Modeler product
you will need to export the flowsheet again for your changes to
affect Aspen Plus runs.

10-32 • Unit Operation Models Aspen Plus 11.1 User Guide

 Licensing of Exported Exported Aspen Modeler flowsheets running in Aspen Plus may
Flowsheets use an Aspen Custom Modeler license, depending upon your
license agreement.

Important: If an Aspen Custom Modeler license is required, it is

acquired using the License Manager settings of Aspen Plus, not the
settings of the Aspen Modeler product. This means that if Aspen
Plus connects to a particular server to access an Aspen Plus
license, the same server must be able to provide an Aspen Custom
Modeler license when an exported flowsheet is used in an Aspen
Plus simulation.

Using Aspen Modeler You can use an exported Aspen Modeler flowsheet in Aspen Plus
Flowsheets Without the without having the Aspen Modeler product installed by copying to
Aspen Modeler Product your machine:
• The flowsheet DLL
• The Aspen Plus User Model Library generated by Aspen
Custom Modeler™
• Any other DLLs on which the flowsheet DLL is dependent
Put the extra DLLs in a directory which is always searched when
the exported DLL is loaded into Aspen Plus. Any directory on the
path will be searched, as will the Engine\xeq directory of the
Aspen Plus installation.
Necessary DLLs

If the Aspen Modeler flowsheet uses procedure equations, the

exported DLL will depend on the DLLs containing their
implementation. The flowsheet DLL will not load correctly in
Aspen Plus if these DLLs are not available, so you must copy them
in addition to the flowsheet DLL.
Exported Aspen Dynamics™ simulations depend on the following
DLLs:
• [Link]
• [Link]
• [Link]
Exported Aspen Custom Modeler simulations which use procedure
calls defined in the [Link] library depend on the following
DLLs:
• [Link]
• [Link]

Aspen Plus 11.1 User Guide Unit Operation Models • 10-33

 Tip: [Link], [Link], and [Link] can be found in
AMSystem 11.1\bin under the AspenTech root installation
directory (default C:\Program Files\AspenTech ).

When you generate a DLL in an Aspen Modeler application, the

list of DLLs that it depends on is shown in the Simulation
Messages window. If you want to use the exported DLL on a
machine which does not have an Aspen Modeler application
installed, check the list in the Simulation Messages window to
make sure that the correct DLLs are available.
User3 Use a User3 model to access external subroutines (such as
R3HTUA, supplied with Aspen Plus) and Aspen EO models from
the PML model library, when these models are not available as
built-in Aspen Plus models, or when the built-in model does not
contain the EO features required for your simulation.

Hierarchy
Use Hierarchy blocks to provide hierarchical structure to complex
simulations. Also, Hierarchy blocks may be added automatically
when importing templates into a simulation. Hierarchy blocks may
contain streams and other blocks (even other Hierarchy blocks), as
well other features like design specifications and sensitivity
problems.

Specifying Unit Operation Models

For each unit operation block, you must enter specifications on
Block forms. To access these forms:
1 Select the block on the graphical flowsheet.
2 Click the right mouse button on the block.
3 From the popup menu that appears, click Input.
4 Select the appropriate form and sheet.

10-34 • Unit Operation Models Aspen Plus 11.1 User Guide

 Overriding Global Specifications for a
Block
You can use the BlockOptions form for a block to override global
values for the following parameters:
Option Specify globally on Specify locally on
sheet Block sheet
Physical Property Properties BlockOptions
Method, Henry’s Specifications Global Properties
Components
Simulation Diagnostic Setup Specifications BlockOptions
Message Level Diagnostics Diagnostics
Physical Property Setup Specifications BlockOptions
Diagnostic Message Diagnostics Diagnostics
Level
Stream Diagnostic Setup Specifications BlockOptions
Message Level Diagnostics Diagnostics
Heat Balance Setup Simulation BlockOptions
Calculations Options Calculations Simulation Options
Use Results from Setup Simulation BlockOptions
Previous Convergence Options Calculations Simulation Options
Pass
Valid Phases Setup Specifications Input Specifications
Global
Example of Replacing a Use the NRTL Method with Henry1 (Henry’s Components) instead
Global Properties of the global values in Base Method and Henry’s Components
Specification specified on the Properties Specifications Global sheet.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-35

 Requesting Heating/Cooling Curve
Calculations
Many unit operation models can generate heating/cooling curves.
These curves calculate the following at intermediate points
between the inlet and outlet conditions of a block, including phase
transition points (bubble and dew points):
• Temperature
• Pressure
• Vapor fraction
• Heat duty
• Optional additional properties
How to Request To request heating/cooling curves for a block:
Heating/Cooling 1 From the Data Browser tree for the block, select the Hcurves
Curves folder.
2 In the Hcurves Object Manager, click New.
3 In the Create New ID dialog box, enter an ID or accept the
default ID. The ID must be an integer.
4 Select an independent variable:
• Heat Duty
• Temperature
• Vapor Fraction
The selected variable is varied to generate the intermediate
points.
5 To define the intermediate points, specify one of the following:
What to specify Where
Number of points Number of Data Points
Size of the increment between points Increment Size
List of values for the independent List of Values
variable
If you specify Number of Data Points, the intermediate points
will be equally spaced between the inlet and outlet.
6 Select the pressure profile option in the Pressure Profile frame.
Specify Pressure Drop, if needed for the selected Pressure
Profile option.

10-36 • Unit Operation Models Aspen Plus 11.1 User Guide

 All of the pressure profiles are either constant or linear from
the first pressure point to the last pressure point. This table
shows the points used for each option:
Pressure Profile First Point Last Point
Option
Constant Outlet pressure Outlet pressure
Linear Inlet pressure - Outlet pressure
Pressure drop
Linear2 Inlet pressure Inlet pressure -
Pressure drop
Linear3 Outlet pressure + Outlet pressure
Pressure drop
Outlet Outlet pressure Outlet pressure
Inlet Inlet pressure Inlet pressure
Mid-point (Outlet pressure + (Outlet pressure +
Inlet pressure)/2 Inlet pressure)/2
You can request additional properties to be calculated on the
Additional Properties sheet. Any number of the Property Sets
in the Properties Prop-Sets folder are available.
7 Select a Property set and click the left arrow to move the
Property Set between the Available Property Sets list and the
Selected Property Sets list. To move all of the property sets at
once from one list to the other, click the appropriate double
arrow.
If you will be using this heating/cooling curve for heat
exchanger design, select the built-in property set HXDESIGN.
HXDESIGN calculates all of the properties needed by design
programs from HTRI, HTFS, and B-JAC. Aspen Plus includes
an interface program, HTXINT, for transferring
heating/cooling curve results to these programs.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-37

 Example of Requesting a Generate a heating curve that includes heat exchanger design
Heating Curve properties. Points are generated every ten degrees.

10-38 • Unit Operation Models Aspen Plus 11.1 User Guide

 A table of data is generated after the simulation has been run.

A plot can be generated from the results.

Aspen Plus 11.1 User Guide Unit Operation Models • 10-39

10-40 • Unit Operation Models Aspen Plus 11.1 User Guide
 C H A P T E R 11

Running Your Simulation

Overview
For help on running your simulation, see one of the following
topics:
• Running the simulation interactively
• Reinitializing simulation calculations
• Viewing the run status of the simulation
• Checking simulation history
• Running the simulation on the Aspen Plus host computer
• Running a simulation in batch (background) mode
• Running Aspen Plus in standalone (text only) mode
• Specifying run settings and user databanks
• Activating and Deactivating blocks
When your problem specifications are complete, you are ready to
run the simulation. The status of your specifications is shown at all
times in the status bar of the main window and the Data Browser.
You can run your simulation if the status is any of these:
• Input Complete
• Input Changed
• Ready to Execute Block

Aspen Plus 11.1 User Guide Running Your Simulation • 11-1

 You can run your simulation in these ways:
Type of Run Information
Interactive When you run interactively you control the simulation completely. You
can step through the simulation, stop at any point, view any intermediate
results, and make changes.
Batch (background) mode When you run batch you cannot control the simulation. Batch
simulations are useful for long simulations or when you want to run
several simulations (case studies) simultaneously.
Standalone Aspen Plus (text Standalone runs are similar to batch runs, but are made outside of the
only) mode user interface.

Running the Simulation Interactively

You can interactively control the simulation execution by using:
• The Run buttons on the Simulation Run toolbar

• The Run menu

You have the same flexibility in controlling the simulation whether
the simulation engine is on your local computer or on a remote
computer.
You can modify any input specifications at any time before or after
a simulation, or when a simulation is paused.
You can view the progress of the simulation and control using the
Control Panel.

The SM Control Panel consists of:

• A message window showing the progress of the simulation by
displaying the most recent messages from the calculations
• A status area showing the hierarchy and order of simulation
blocks and convergence loops executed
• A toolbar which you can use to control the simulation
• A more/less button which displays or hides EO controls

11-2 • Running Your Simulation Aspen Plus 11.1 User Guide

 The EO Control Panel has additional options and buttons. See
Running an EO Simulation for a description of EO Control Panel
options.

Commands for You can control the simulation by using the commands on the Run
Controlling menu, the Simulation Run toolbar, or the Control Panel:
Simulations

To Do this
Start or continue calculations
Click the Start button on the toolbar.
Pause simulation calculations
Click the Stop button on the toolbar.
Step through the flowsheet one
Click the SM Step button on the toolbar. You can use the SM Step
block at a time
button to step through an SM simulation to the point where you wish to
change to EO mode. The SM Step button is unavailable in EO mode
because there are no sequential steps in an EO operation. For EO mode,
the SM Step button can be used to select an initialization point in SM
mode before switching to EO mode.
Set stop points in the simulation From the Run menu, click Stop Points.
Change the next block to be From the Run menu, click Move To.
executed
Update results From the Run menu, click Load Results to load all results from the
simulation engine if Interactive Load Results is:
Off and you stopped the simulation
On and you want to load all results at one time
For more information, see Changing Run Settings and User Databanks.
Check simulation results
Click the Check Results button on the toolbar.
Display block or stream results 1. On the flowsheet, click the block or stream.
2. Then click with the right mouse button on the block or stream.
3. From the popup menu that appears, click Results.

Aspen Plus 11.1 User Guide Running Your Simulation • 11-3

Purge simulation results
Click the Reinitialize button on the toolbar.
Purge control panel messages Some large simulations can generate megabytes worth of control panel
messages, which consume memory and also disk space if you save in
quick restart (.apw) format. To purge the control panel messages while
keeping the simulation results, click the Control Panel Purge button
on the toolbar.
Changing Interactive When running interactively you can usually increase the speed of
Simulation Speed the calculations by selecting the Express Run option. For more
information, see Changing Run Settings and User Databanks.
When the Express Run option is on, you cannot monitor the
progress of the simulation while it is running. However, once the
simulation is complete or stopped, you can check the Simulation
History to see the progress and diagnostic messages.
Reinitializing SM When you change your simulation specifications, by default,
Simulation Aspen Plus uses any previously generated results as a starting point
Calculations the next time you run the simulation. You can override this default
by reinitializing the entire simulation, or specific blocks in the
flowsheet, before rerunning the simulation.
To reinitialize before rerunning a simulation:
1 From the Run menu, click Reinitialize.
2 Choose the items you want to reinitialize in the Reinitialize
dialog box.
You may need to reinitialize if a block or the flowsheet:
• Fails to converge for no apparent reason, after you changed the
block or specifications that affect its inlet streams
• Has multiple solutions and you can obtain the one you want
only by starting from your specified initial block or stream
estimates
When you Then
reinitialize a
Block The next simulation of the block does not use previously
calculated results, but its current results are retained.
Stream The stream results are cleared. This will trigger an inital
flash calculation for an external feed stream or a tear
stream.
Simulation All results are cleared.
Convergence The iteration counter is reset, the convergence block is
tagged as Not Converged, and any previous iteration
history is not used to predict the next guesses for the
convergence variables. However, its current results, such
as the final values for the convergence variables, are
retained.

11-4 • Running Your Simulation Aspen Plus 11.1 User Guide

 Reinitializing EO When you click the Reinitialize button in EO mode, you have
Simulation four choices for the scope of reinitialization:
Calculations
Select this option To
Reinitialize sequential modular Reset SM and EO results and reinitialize SM. This option rebuilds SM
results formulations, resynchronizes EO, and loads SM results into EO.
Rebuild equation oriented Reinitialize the EO simulation after you have made configuration
simulation and reinitialize with changes. If you have non-EO input changes, you will be prompted to do
current EO results a new SM run. If you changed only EO inputs, this option will apply
those changes directly. The system then saves variable values, destroys
and then rebuilds the EO state and applies the saved variable values. All
variable attributes other than value will be the result of the EO build
process.
Important: When this reinitialization is performed after an SM input
change resulting in the rebuild of a block, EO-Input variable value
statements referencing the block at the hierarchy or flowsheet levels will
be overwritten by the restored variable value vector. The only safe
workaround in this situation is to save the variable values in an external
file prior to performing the SM input changes and then to import the
saved variable values after the re-initialization is complete.
Reinitialize equation oriented Reinitialize the EO simulation after you have made configuration
simulation with changes in changes. If you have non-EO input changes, you will be prompted to do
configuration. Flowsheet/ a new SM run. If you changed only EO inputs, this option will apply
Hierarchy level EO-Input and those changes directly.
EO-Options may not be used In this type of reinitialization, if the SM input changes are only at the
during initialization. block level, reinitialization will ignore EO specifications entered in the
top-level or Hierarchy-block-level EO Input and EO Options forms. To
force these EO specifications to always be used, enter them in the forms
within the block.
Update equation oriented Import an X-file or a VAR-file previously exported by the EO Export
simulation from external file function.

Aspen Plus 11.1 User Guide Running Your Simulation • 11-5

 You can view the progress of a simulation in:
Viewing the Status of
the Simulation • The Status Bar
• Control Panel Status Messages
Viewing Simulation The main window status bar shows the progress of a running
Status Using the Status simulation and the current status of the simulation when it is not
Bar running. Status messages appear on the right side of the status bar.
This table shows the meaning of the status messages:
Status message Meaning
Flowsheet Not Complete Flowsheet connectivity is incomplete. To find out why, click the Next
button in the toolbar.
Required Input Not Complete Input specifications for the run are incomplete. Click Next on the toolbar
to find out how to complete the input specifications, and to go to sheets
that are incomplete.
Required Input Complete The required input specifications for the run are complete. You can run
the simulation or enter optional specifications.
Ready to Execute Block The simulation is paused because you clicked the Stop or Step buttons,
or a stop point you set was encountered. Click the Step or Run buttons to
continue calculations.
Results Present The run has completed normally, and results are present.
Results With Warnings Results for the run are present. Warning messages were generated during
the calculations. See the Control Panel for messages.
Results With Errors Results for the run are present. Error messages were generated during the
calculations. See the Control Panel for messages.
Input Changed Results for the run are present, but you have changed the input since the
results were generated. The results may be inconsistent with the current
input.

11-6 • Running Your Simulation Aspen Plus 11.1 User Guide

 Viewing Simulation The Control Panel message area contains progress, diagnostic,
Status Using the Control warning, and error messages generated during calculations.
Panel Status Messages This table shows the message and the information that follows it:
Control Panel Message Information Displayed Following the Message
Processing input specifications Flowsheet analysis for tear streams and calculation sequence. Errors
associated with input specifications.
Calculations begin Identification of each block as it is calculated. Iteration-by-iteration
status of convergence blocks, and of column convergence. Errors during
simulation calculations.
Generating results Errors during the generation of results (heating and cooling curves,
stream properties, property tables and any block calculations that were
not needed during the simulation calculations).
Problem specifications modifiedNew flowsheet analysis for tear streams and calculation sequence,
caused by flowsheet modifications. Errors associated with modified
input specifications.
Equation Oriented Identification of incomplete input for EO run. Whether SM sheet is .
Synchronization Status with EO.
Presolve and Postsolve Scripts Whether either or both of these options have been selected.
Equation Oriented Identification of incomplete input for EO run. Whether SM sheet is
Synchronization Status synchronized with EO.
Interrupt DMO Solver Identification of which, if any, of the following buttons is available:
Close Residuals, No Creep, Abort.
Command Line Command line of any user-entered script.
Checking the Status Use the Results Summary sheet to check the status of calculations.
of Calculations To do this:
1 On the Simulation Run toolbar, click the Check Results button
.
2 Click the Results Summary sheet.
The Results Summary sheet appears. This sheet indicates
whether the calculations were completed normally and shows
error or warning messages resulting from the calculations.
To see error and warning messages for a specific object, click
the Status button on the Data Browser toolbar when the
forms for that object are displayed.
For more information on checking the completion status of a
run, see Checking the Completion Status of a Run.
Checking the Aspen Plus keeps a detailed history of your simulation run in a file
Simulation History that you can view with your text editor. Input specifications,
warning messages, error messages, and block-by-block
convergence information are available.

Aspen Plus 11.1 User Guide Running Your Simulation • 11-7

 This table shows your options:
To Do this
View the history of the From the View menu, click History.
current run
Save history to a file Use the save command for your text editor.
Return to Aspen Plus Use the exit command for your text editor.
Aspen Plus displays all results in the simulation history in SI units.

Running the Simulation on the Aspen

Plus Host Computer
If your network configuration and your Aspen Plus license permit,
you can run the Aspen Plus user interface on one computer and run
the simulation engine on a different computer (the remote
Aspen Plus host).
You may be required to connect to a remote Aspen Plus host when
you start Aspen Plus.
To change the Aspen Plus host computer after you have started
Aspen Plus:
1 From the Run menu, click Connect to Engine.
2 In the Connect to Engine dialog box, enter the Server Type.
If you choose your Local PC Host as the Aspen Plus host
computer, you do not need to enter any more information into
the dialog box.
3 For all Aspen Plus host computers except the PC, enter the
following information in the dialog box:
In this field Enter this information
Node Name Node name of the computer the Aspen Plus
simulation will run on
User Name Your Logon name on the host computer
Password Password for your account on the host computer
Working Directory Working directory on the host computer for
Aspen Plus runs
4 Click OK.
5 When the network connection is established, a message box
appears saying Connection Established.
If the Connection Established box does not appear, see your
on-site Aspen Plus system administrator for more information
on network protocols and Aspen Plus host computers.
Aspen Plus creates files for runs in the working directory.

11-8 • Running Your Simulation Aspen Plus 11.1 User Guide

 The default working directory is your home directory for that
particular operating system.
Communicating with You can use several commands to communicate with a remote
a Remote Aspen Plus Aspen Plus host computer simulation engine:
Host Computer To Do This
Check the status of From the Run menu, select Batch, then Jobstat, and
a batch run select the ID of the run you want information on.
Retrieve results From the Run menu, point to Batch, then Load
from a batch run Results, and select the ID of the run for which you
want to retrieve results.

Running a Simulation Batch

(Background)
There are times when you may not want to run the simulation
interactively. For example, when you use a Sensitivity block or an
Optimization block, or if the simulation is lengthy. In these cases
you can submit a batch run.

Tip: To avoid inconsistent input and results, do not change the

input specifications for a run after you have submitted a batch run,
until you have read back the results.

Starting a Batch Run To start a batch run:

1 On the Run menu, select Batch, then Submit.
2 Use the check box to specify whether or not you want to delete
the temporary files Aspen Plus generates after the run finishes.
3 You can specify Command Line Qualifiers, for the operating
system (such as batch queue name), and for Aspen Plus (such
as user databank filenames). You also can specify a working
directory on the remote host in the Batch Submit dialog box.
The default directory is your home directory on the remote host
computer.
4 Click the Settings button if you want to change any run
settings.
5 Click OK.
Aspen Plus submits the batch run.
Checking the Status To check the status of the batch run:
of a Batch Run • From the Run menu, point to Batch, then Jobstat.
After the batch run is finished, you can load the results into the
user interface. To load the results into the interface:

Aspen Plus 11.1 User Guide Running Your Simulation • 11-9

 1 From the Run menu, point to Batch, then Load Results.
2 Select the ID of the run for which you want to retrieve results.

Running Aspen Plus Standalone

You can use the Aspen Plus user interface to develop the
simulation model for a run and view the results, but run the
Aspen Plus simulation engine separately from the user interface.
You might want to do this to achieve maximum performance for
large flowsheets.
To run the Aspen Plus simulation engine standalone:
1 Complete the input specifications for the run in the user
interface. When the status indicator in the main window toolbar
says Required Input Complete or Input Changed, you can run
the simulation.
2 From the File menu, click Export.
3 In the Save As Type field, select Input File (.inp). Enter the
Run ID for the filename.
4 If you are running the simulation engine on a remote computer,
transfer the file [Link] to the remote computer.
5 From the operating system prompt, enter the command:
aspen runid
6 If you are running the simulation engine on a remote computer,
transfer the file [Link] from the remote computer to the
local computer when the run is complete.
7 When the run is complete, from the File menu, click Import
and in the Files Of Type box, select Summary file (.sum).
8 From the file list, select the Run ID and click OK.
9 You can now review the results and modify the input in the
user interface, as if you had made the run from within the user
interface.
Editing the Input File You can edit the input file outside the interface. The following
for Standalone Runs instructions ensure that:
• Any changes you make in the input file are reflected in the user
interface.
• Your graphical flowsheet will be restored when you return to
the user interface.

11-10 • Running Your Simulation Aspen Plus 11.1 User Guide

 To edit the Aspen Plus input file outside of the interface:
1 Complete the input specifications for the run in the user
interface. When the status indicator in the main window toolbar
says Required Input Complete or Input Changed, you can run
the simulation.
2 From the File menu, click Export.
3 In the Save As Type field, select Input Files with Graphics
(.inp). Enter the Run ID for the filename.
4 If you are running the simulation engine on a remote computer,
transfer the file [Link] to the remote computer.
5 Edit your input file to make the changes.
6 Use the aspen command option to create a backup file:
aspen runid /mmbackup
7 If you are running the simulation engine on a remote computer,
transfer the files [Link] and [Link] to the local
computer.
8 When the run is complete, start the Aspen Plus user interface.
9 From the File menu, click Open, and select Backup files (.bkp).
Then select the Run ID from the file list.
10 Click OK.
11 From the File menu, click Import, and in the Files Of Type
field, select Summary file (.sum).
12 Select the Run ID from the file list, and click OK.

Aspen Plus 11.1 User Guide Running Your Simulation • 11-11

 Changing Run Settings and User
Databanks
To display the Run Settings dialog box:
1 From the Run menu, click Settings.
2 On the Engine Files Tab, you can specify filenames for:
Item Information
User physical property The property databanks are called USRPP1A,
databanks USRPP1B USRPP2A, USRPP2B and
USRPP2C.
User insert libraries and In Aspen Plus, when referring to insert libraries
stream libraries or stream libraries, you must use the file
extension .ILB for insert libraries, and .SLB for
stream libraries.
Link Options The Dynamic Linking Options File (DLOPT)
contains directives for dynamic linking. For
more information, see Aspen Plus User Models.
Run Definition The User defaults file is used to override system
defaults files and specify default command
options.
A user cost databank The user cost databank is used to update the cost
indices.
These filenames apply when you run the simulation
interactively or in batch.
3 On the Options tab, use the Express Run option to achieve
maximum simulation speed when running the Aspen Plus
simulation engine on a PC, or when running interactively on
other platforms. The Express Run option:
• Turns off the Animation option
• Sets the Control Panel message levels to 0
• Turns off interactively loading results
• Enables you to use History from the View menu to examine
the progress of a simulation

11-12 • Running Your Simulation Aspen Plus 11.1 User Guide

 Interactively Load By default, Aspen Plus results are loaded into the user interface
Results only when you want to examine them.
To change whether Interactively Load Results is on or off:
1 From the Tools menu, click Options.
2 On the Run tab, check or clear Interactively Load Results.
Have Interactively Load If Then
Results
On You want Aspen Plus to load Aspen Plus speeds up the processing time
only the results you are by only loading particular results. This is
interested in. useful if you run a simulation several
(You can still load all results times, but are only interested in the results
by using Load Results from on one particular form.
the Run menu.)
Off You want all results to be Aspen Plus loads all simulation results into
loaded automatically at the the user interface. This increases the time
end of a run required for a run to complete, but enables
you to examine results more quickly.

Note: Interactively Load Results only works with the Flowsheet

Run Type.

Animate Flowsheet Use the Animate flowsheet option to turn flowsheet animation on
or off. When it is off, the block icons are not highlighted in the
graphical flowsheet as they are executed. Turning animation off
can sometimes result in a slight increase in simulation speed.
Allow Run Only When This option is designed primarily for advanced users who are
Input is Complete familiar with keyword input language. Turning off the Allow Run
only when input is complete option allows you to initiate an
interactive or batch run even if the status in the main window
toolbar is not Required Input Complete.
Edit Keyword Input This option is designed primarily for advanced users who are
Data Before Starting familiar with Aspen Plus keyword input language. The Edit input
Calculations before beginning simulation option displays the generated
Aspen Plus input language in your text editor before starting
interactive calculations. This gives you a chance to make small
modifications or additions to the file, or to diagnose problems.
These modifications will not be reflected on the input forms.
Copy Data When the option is on, parameters regressed during a Data
Regression and Regression run or estimated by a Property Constant Estimation run
Property Constant are automatically retrieved and displayed on the Parameters forms.
Estimation Results The parameters will be used in all subsequent runs. When the
onto Property option is off, the parameters are available on the List, but are not
Parameter Forms displayed on the forms. The parameters will not be used in
subsequent runs.

Aspen Plus 11.1 User Guide Running Your Simulation • 11-13

 Activating and Deactivating Blocks
Various simulation objects can be activated and deactivated.
When deactivated, they still need to be completely specified to run
the problem, but they are ignored during simulation. Blocks and
Streams can be deactivated and activated by clicking the right
mouse button on the flowsheet object, and choosing
Deactivate/Activate. The following objects can be deactivated and
activated from the data browser tree view right mouse button
menu:
• Blocks and Streams
• Convergence blocks
• Sequence
• Most Flowsheeting Options: Design-Spec, Calculator,
Transfer, Balance, and Pres-Relief blocks
• Most Model Analysis Tools: Sensitivity, Optimization,
Constraint, and Case-Study blocks
• Regression
• Properties Analysis (Prop-Table)
Explicitly deactivated items show up in the data browser with a
pair of green slashes through their icon:
In addition to items explicitly deactivated by the user, some objects
are deactivated by association. That is, they are deactivated
because they reference deactivated objects. The rules are:
• Deactivating the inlet or outlet stream of a block does not
cause a block to be deactivated, except as specified below.
• Streams with both source and destination deactivated or not
present are deactivated.
• Referencing a deactivated block or stream causes an HxFlux
block to be deactivated. The stream disabling logic is then
repeated.
• Referencing a deactivated block or stream causes a Cost block,
Pres-Relief block, Calculator block, Transfer block, Design-
Spec, Constraint, Optimization, Data-Fit block, Sensitivity
block, or Balance block to be deactivated. Targets of a
deactivated Calculator or Transfer block will not be
deactivated.
• Calculator, Transfer, and other blocks with Execute
Before/After that reference a deactivated block will be
deactivated.

11-14 • Running Your Simulation Aspen Plus 11.1 User Guide

 • Convergence blocks that reference a deactivated Tear Stream,
Tear-Var, Design-Spec, Constraint, or Optimization are
deactivated.
• Sequences that reference deactivated blocks are ignored and
revert back to automatic sequencing.
• Deactivated Tear Streams or Tear-Vars are ignored.
• Deactivated Convergence blocks in Conv-Order are ignored.
Objects which are deactivated by association are listed in the
history file.

Note: Deactivating items does not change flowsheet connectivity

(other than effectively removing the deactivated items) and does
not automatically cause any streams to be reinitialized. Some uses
of deactivation may require reinitializing streams which were
solved in a run with different activation.

Selector Blocks

A Selector block can be used to model alternative simulation

trains. Copy the feed stream to the alternate trains with a Dupl
block, and connect the products of the alternate trains to a Selector
block. Deactivate all but one train, and choose the stream from the
active train in the Selector block.

Running an EO Simulation
Running an EO simulation is similar to running an SM simulation.
However, many EO-specific options are available for running an
EO simulation on the control panel. These options are made
available to you when you click the More button at the bottom of
the SM control panel.

Aspen Plus 11.1 User Guide Running Your Simulation • 11-15

 The EO Toolbar provides options for
controlling your EO simulation.
Use the To
Export the EO variables to an external file, either binary or ASCII.
Export EO Variables button
Import the EO variables previously saved in an external file, either
Import EO Variables button
binary or ASCII.
View or edit EO variables currently in use.
Key Variables button
Execute Sensitivity Analysis View a list of variables from which to select to perform a sensitivity
analysis on.
button
Execute Global Script button View a list of executable global scripts from which to select.

Access the Convergence EO Conv Options sheet. On this sheet you can
Solver Settings button
select the EO solver to use and set various convergence options.
In addition to the EO Toolbar, the EO Control Panel offers several
options to interactively control your EO simulation.
During long runs, it is possible to change the behavior of the DMO
solver. In the Control Panel, the Interrupt DMO Solver frame
contains a set of buttons:
Click this button To
Close Residuals Fix all of the independent variables at their
current values and close the residuals.
No Creep Take DMO out of creep mode.
Abort Stop the DMO solver.
The EO control panel also allows you to select two script-
executing options:
Presolve Script, which executes the specified presolve script
commands before solving the problem.
Postsolve Script, which executes the specified postsolve script
commands after the problem is solved.
The Command Line text box allows you to enter script commands
to be executed.

11-16 • Running Your Simulation Aspen Plus 11.1 User Guide

 C H A P T E R 12

Examining Results and

Generating Reports

Overview
For help on examining results and generating reports, see one of
the following topics:
• Viewing simulation results interactively
• Checking the completion status of a run
• Checking the convergence status of a run
• Displaying stream results
• Generating an Aspen Plus report file

Viewing Simulation Results

Interactively
You can view results whenever the status message in the bottom
window status bar is one of the following:
Message Means
Results Available The run has completed normally, and results are present.
Results Available with Results for the run are present. Warning messages were generated during
Warnings the calculations. View the Control Panel or History for messages.
Results Available with Errors Results for the run are present. Error messages were generated during the
calculations. View the Control Panel or History for messages.
Input Changed Results for the run are present, but you have changed the input since the
results were generated. The results may be inconsistent with the current
input.

Aspen Plus 11.1 User Guide Examining Results and Generating Reports • 12-1
 Use the results status indicators, which appear in the Data Browser
to guide you to forms and objects. For a complete list of the status
indicators, see Status Indicators in chapter 1.

Viewing Results of an EO Simulation

You can examine the results of an EO Simulation either in the
Aspen Plus results sheets, or in the EO Variables folder.
From the Data Browser, select the + next to the EO Configuration
folder, then select EO Variables, and then select the Attributes tab.
The EO Configuration EO Variables Attributes sheet appears.
This sheet shows all the EO variables in the simulation.

Viewing Current You can view the current simulation results after using the Stop or
Simulation Results Step commands. To do this:
1 From the Run menu, click Settings.
2 In the Run Settings dialog box, ensure that the Interactively
Load Results option is cleared.
3 From the Run menu, click Check Results.
Use the results status indicators, which appear in the Data Browser,
to guide you to forms and objects with results.

12-2 • Examining Results and Generating Reports Aspen Plus 11.1 User Guide
 Checking the Completion Status of a
Run
Use the Results Summary sheet to examine summary information
about the convergence and completion status of a run. This form
indicates whether the calculations were completed normally.

To display the Results Summary sheet, do one of the following:

From the Select
Simulation Run toolbar
or the Control Panel
Data Browser Results Summary in the left pane of the Data
Browser
Run menu Check Results
If errors or warnings exist:

1 When on a particular form, click the Status button on the

toolbar of the Data Browser window to see specific messages.
2 Check the Control Panel and History file for information,
diagnostic, warning, and error messages generated during
calculations.

Aspen Plus 11.1 User Guide Examining Results and Generating Reports • 12-3
 Checking Completion The Control Panel displays error, warning and diagnostic messages
Status in the Control from the run.
Panel The number of messages can be controlled globally using the
Setup Specifications Diagnostics sheet or locally using the block
BlockOptions Diagnostics sheet
The messages on the control panel are similar to those printed in
the history file (*.his). The diagnostic level of the history file and
the control panel can be adjusted independently.
If a high level of diagnostics is needed, the diagnostics should be
printed to the history file and not to the control panel. This means
you will not slow down performance by writing a lot of
information to the screen.
Viewing the Control To view the Control Panel, do one of the following:
Panel
From the Select
View menu Control Panel
Simulation Run toolbar

The Run Messages file (*.cpm) is a text file that includes all of the
messages printed on the control panel. Run Messages files must be
exported from the simulation to be saved.
Checking Completion The History file displays error, warning and diagnostic messages
Status in the History from the run.
File The number of messages can be controlled globally using the
Setup Specifications Diagnostics sheet or locally using the block
BlockOptions Diagnostics sheet
To check the History file:
• From the View menu, click History.
A history file cannot be directly saved or exported from the
Aspen Plus User Interface. However, the file is saved
automatically when a run is saved as an Aspen Plus document
(*.apw). You can also save the viewed history file using the text
editor.
The history file is similar to the Run Messages file (*.cpm). The
diagnostic level of the history file and the control panel can be
adjusted independently. If a high level of diagnostics is needed,
they should be printed to the history file and not to the control
panel so as to not inhibit performance by writing so much
information to the screen.

12-4 • Examining Results and Generating Reports Aspen Plus 11.1 User Guide
 Checking the Convergence Status of
a Run
Design specifications and tear streams both have associated
convergence blocks. The Aspen Plus generated convergence block
names begin with the character "$". User-defined convergence
blocks must not begin with the character "$".
Summary of To see a summary of all of the convergence blocks for a run:
Convergence Block
1 In the left pane of the Data Browser, click Results Summary,
Results
then select Convergence.
2 This table shows which sheets to use for summary information:
Select this sheet For a summary of
DesignSpec Summary The convergence status, final manipulated
variable value, and final errors for all design
specifications in the simulation
Tear Summary The convergence status and final maximum
errors for all tear streams in the simulation
Detailed Convergence To see detailed results for a convergence block and its iteration
Block Results history:
1 From the Data menu, point to Convergence, the click
Convergence.
2 From the Convergence Object Manager, select a convergence
block ID.
3 Click the Edit button.
– or –
4 Double-click a convergence block ID.
5 From the Results form:
Select To see
Summary How tightly each tear variable or manipulated
variable was converged
Spec History The errors at each iteration. You can plot the iteration
history.
Tear History The maximum error at each iteration among all tear
stream variables converged by this block. You can
plot the iteration history.
Max Error/Tol The maximum error divided by the tolerance at each
iteration for all tear streams and design
specifications.
Tear Variables The value at each iteration of all tear stream variables
converged by this block.

Aspen Plus 11.1 User Guide Examining Results and Generating Reports • 12-5
 Displaying Stream Results
This table shows how to display stream results:
To display Do this
A single stream 1. Click the stream.
2. Click with the right mouse button on the stream.
3. From the popup menu that appears, click Results.
The inlet and 1. Click the block.
outlet streams of 2. Click with the right mouse button on the block.
a block 3. From the popup menu that appears, click Stream
Results.
All streams From the Data Browser, point to Results Summary,
then Streams.
On any Results Summary Streams sheet, click the down arrow in
the Display box to select whether all stream or selected streams are
displayed:
To add a stream to the display on any Results Summary Streams
sheet:
1 Move to a field in the top row of a column.
2 Click the arrow to see a drop down list of streams.
Removing Streams To remove a stream from the flowsheet:
from Flowsheets 1 Click the stream ID.
2 Click the right mouse button.
3 From the popup menu that appears, click Delete Stream.

12-6 • Examining Results and Generating Reports Aspen Plus 11.1 User Guide
 Displaying Stream This table shows which sheets display which results:
Results from Sheets
Select this Results Summary To display
Stream sheet
Material Results for all or selected material streams in a spreadsheet format
If you designate any batch streams, Aspen Plus displays the batch stream
results (such as cycles/day, cycle time, down time).
You can format the stream results, transfer the stream results to the
Process Flowsheet as a table, or print the results. For more information,
see Adding Stream Tables.
For more information about stream summary formats, see Formatting
Stream Results.
Heat Heat flow results for all or selected heat streams in a spreadsheet format
Aspen Plus uses heat streams to transfer duties to or from unit operation
blocks.
Work Power results for all or selected work streams in a spreadsheet format
Aspen Plus uses work streams to transfer power to or from pumps or
compressors.
Vol. % Curves The Volume percent curves for all or selected streams.
TBP curve, ASTM D86 curve, ASTM D1160 curve, Vacuum at 10
mmHg curve, API curve, and Specific gravity curve can be viewed.
Wt. % Curves The Weight percent curves for all or selected streams.
TBP curve, ASTM D86 curve, ASTM D1160 curve, Vacuum at 10
mmHg curve, API curve, Specific gravity curve, Molecular weight
curve, and
ASTM D86CRK curve can be viewed.
Petro. Curves Petroleum property curves for all or selected streams.
Formatting Stream The settings you specify on the Setup ReportOptions Stream sheet
Results determine the contents of the Results Summary Streams Material
sheet. For more information on specifying stream results, see
Customizing the Stream Report.
The table format file (TFF) shown in the Format box of the Stream
Summary sheet determines the format (order, labels, precision, and
other options) of the stream results.
Aspen Plus provides built-in TFFs tailored to each Application
Type. The default is an appropriate TFF for the Application Type
you choose when you create a new run. You can also create your
own TFFs.
Choosing a Table Format To choose a TFF:
File
1 From the Data menu, click Results Summary, then Streams.
2 Click the Material sheet.

Aspen Plus 11.1 User Guide Examining Results and Generating Reports • 12-7
 3 In the Format box, click the drop down arrow and select a TFF
from the List.
If you are using built-in TFFs, it is recommended that you
select a TFF for your Application Type. For example, if you
are using a Petroleum Application Type, choose a TFF
beginning with PET.

Tip: You can also specify the TFF on the Setup ReportOptions
Streams sheet. Aspen Plus uses the TFF you select for all Stream
Summary sheets you display, until you select another TFF.
Some TFFs filter the calculated stream results. If you want to make
sure you see all calculated properties, select TFF FULL.

Displaying Heat and To display results for heat and work streams, follow one of these
Work Stream Results procedures:
To display results for Do this
A single stream 1. Click the stream
2. Click the right mouse button and from the
popup menu that appears, click Results.
All streams 1. From the Data Browser, click Results
Summary, then Streams.
2. Click the Heat or Work tab.
Displaying EO To display EO variable results perform one of these procedures:
Variable Results To display results for Do this
A single stream 1. Click the stream.
2. Click the right mouse button and from the
popup menu that appears, click Results.
3. Click EO variables.
A single block 1. Click the block.
2. Click the right mouse button and from the
popup menu that appears, click Results.
3. Click EO variables

Generating an Aspen Plus Report File

You can generate a report file documenting the complete input
specifications and simulation results for your Aspen Plus run. Use
the Report Options forms to control report contents. See Report
Options in chapter 5 for more information about report options.
Before generating a report, the results of an interactive run must be
available. You need to make an interactive run if:
• You have not yet run the simulation.
• You changed input specifications since running the simulation.

12-8 • Examining Results and Generating Reports Aspen Plus 11.1 User Guide
 • You changed settings on the Report Options forms since
running simulation.
• You opened a run saved in backup format, and have not run the
simulation in the current session.
To make an interactive Run:
• On the Simulation Run toolbar, click the Run button .
– or –
• From the Run menu, click Run.
To generate a report:
• From the View menu, click Report.
Exporting a Report To save the entire report file from an interactive run:
File 1 From the File menu, click Export.
2 In the Save As Type box, select Report files.
3 Enter a filename. The file can be in any directory other than the
Aspen Plus program directory on the local computer.
4 Select Save to create the report file.
Aspen Plus generates a report automatically during a batch run.
The filename is the Run ID, with the .rep extension. The report file
for a batch run is saved on the computer running the Aspen Plus
simulation engine. If Aspen Plus is running on a remote computer,
the report file is saved on that computer's file system.
For more information on managing files, see chapter 15, Managing
Your Files.

Aspen Plus 11.1 User Guide Examining Results and Generating Reports • 12-9
 To view the entire report or a selected portion of a report in a text
Viewing a Section of
editor:
the Report
1 From the View menu, click Report.
2 Select the part of the report that you would like to view:
Select To display
Block The results of a specified unit operation block
Convergence The results of a specified Convergence block
Sensitivity The results of a specified Sensitivity block
Transfer The results of a specified Transfer block
Calculator The results of a specified Calculator block
Streams The results of a specified stream or of all streams
Balance The results of a specified Balance block
Pressure Relief The results of a specified Pressure relief block
Regression The results of a specified Regression block
Simulation The entire Report file
Table Of Contents Table of contents for the report
Flowsheet Balance Material and energy balance for the flowsheet
Connecting Streams The connecting streams (feeds and products) for a selected block
Measurement A detailed report of all measurements and their SM and EO connections.
Measurement Report A summary of the EO measurements, including the values and
specifications of the Plant and Offset variables.
3 If necessary, select the ID for the block, stream, or other object.
4 Click Apply to display your selection in the text editor.
5 Repeat steps 2-4 to display any additional sections of the
report.
6 Click OK.

Tip: Any of the sections of the report can be saved or printed using
the text editor.
Use Copy and Paste to copy results from any sheet into another
Windows program.

12-10 • Examining Results and Generating Reports Aspen Plus 11.1 User Guide
 C H A P T E R 13

Working with Plots

Overview
For help on generating, customizing, and printing plots from any
input or results sheet that has tabular data, see one of the following
topics:
• Generating plots
• Working with plots
• Printing plots

About Plots
Aspen Plus plots are a useful way of viewing the date from a run.
You can use plots to display:
• Input and results profiles for unit operation blocks
• The results of flowsheeeting options and model analysis tools
such as Sensitivity, Optimization, and Pres-Relief.
There are three steps involved in generating a plot:
1 Displaying the sheet containing the data you want to plot. The
sheet may contain either input or results data.
2 Generating the plot either by:
• Using the Plot Wizard
–or–
• Selecting the dependent, independent, and parametric
variables
3 Customizing the plot appearance.

Aspen Plus 11.1 User Guide Working with Plots • 13-1

 Step 1: Displaying the Data
To display data:
1 From the Data menu, click Data Browser.
2 In the left hand pane, click the form containing the data that
you want to plot.
3 On the form, click the sheet to display the data.
This sheet can be either an input or a results sheet though it is
much more common to plot results.
4 To plot results, make sure that the simulation run has results
available.
If results are available, the status message in the main window
will be Results Available, Results Available with Warnings,
Results Available with Errors, or Input Changed. For more
information on status messages when results are present, see
Viewing Results.
If results are not available, run the simulation.

Step 2: Generating a Plot

You can generate the plot in either of these ways:
• Using the Plot Wizard
• Selecting the dependent and independent variables
Using the Plot Wizard Use the Plot Wizard to generate a plot quickly by selecting from a
list of predefined plots. The Plot Wizard is available for most
blocks and other objects which have tables of results.
After you have displayed the data:
1 From the Plot menu, click Plot Wizard.

Note: The Plot menu is only visible when you have the Data
Browser in the current window.

The Plot Wizard Step 1 appears.

2 Click Next.
3 Select the type of plot from the list of available plots, then click
Next.
4 Select the options for the plot type you have selected.
The options that are available depend on the plot type selected.
5 Click Next.
6 Select the general options for the plot type you have selected.

13-2 • Working with Plots Aspen Plus 11.1 User Guide

 The Plot Wizard guides you through the options. These
include:
• Changing the Plot type
• Modifying the Plot and Axis titles
• Choosing whether you want the plot updated when new
results are available
• Selecting if you want to display the plot legend
• Adding a time stamp
For further details on these, see Step 3: Customizing the
Appearance of a Plot .
7 To end the Plot Wizard and generate the plot, click Finish.
For information on changing the plot attributes after exiting the
wizard, see Step 3: Customizing the Appearance of a Plot .
Example of Making a Plot
of Flow Rate for a
Radfrac Column

Aspen Plus 11.1 User Guide Working with Plots • 13-3

13-4 • Working with Plots Aspen Plus 11.1 User Guide
 The plot generated:

Aspen Plus 11.1 User Guide Working with Plots • 13-5

 The Plot Wizard is usually the quickest way to generate a plot.
Generating a Plot by
However, if the plot you are interested in is not available in the
Selecting Variables
Plot Wizard, you can generate the plot by selecting the
independent, dependent, and parametric variables.
To select variables:
1 Click the title of the column of data you want to plot on the X-
Axis.
2 From the Plot menu, click X-Axis Variable.
3 Select all the dependent variables:
• Hold down Ctrl and click the title of each column of data
you want to plot on the Y-Axis.
• From the Plot menu, click Y-Axis Variable.
4 If you want to plot a parametric variable:
Click the title of the column of data you want to plot as the
parametric variable.
5 From the Plot menu, click Parametric Variable.
Types of Variable For The Plot Wizard is usually the quickest way to generate a plot.
Plots However, if the plot you are interested in is not available in the
Plot Wizard, you can generate the plot by selecting the
independent, dependent, and parametric variables.
This table shows the types of variables available for a plot:
This Is You can
variable
Y-Axis The Select as many Y-Axis dependent variables as
variable dependent you like for a plot. You must select at least
variable one Y-Axis dependent variable.
X-Axis The Select only one X-axis independent variable
variable independent or accept the default independent variable
variable (usually the first column of data)
Parametric The third Use this variable to plot a dependent variable
variable variable against an independent variable for several
values. For example, you might use a
sensitivity block to generate a plot of reaction
conversion (the dependent variable to be
plotted on the Y-axis) versus residence time
(the independent variable to be plotted on the
X-axis) for three temperatures (the parametric
variable).

13-6 • Working with Plots Aspen Plus 11.1 User Guide

 Step 3: Customizing the Appearance
of a Plot
You can customize the appearance of your plot by:
• Adding and modifying annotation text
• Changing the plot properties
Adding and Modifying You can:
Annotation Text Do This And
Add text to annotate a The text can be attached or unattached.
plot
Attach text to a point on The text moves with the point as you zoom in
a plot line and out and scroll through the plot workspace.
Place unattached text The text stays in the same place within the
anywhere within the window as you zoom in and out and scroll
plot workspace through the workspace.
Adding Text To add text to a plot:
1 Display the plot on which you want to add text.
2 Click the right mouse button on a plot and from the popup
menu that appears, point to Modify, then click Add Text.
3 Use the Plot Text Setting dialog box to add or change the text.
Use this text To
sheet
Text Enter the annotation text and specify color and
orientation
Attribute Attach the text to data point. You can connect it
without an arrow or with a small, medium or large
arrow. The default is to attach it with a medium arrow.
Leave the text unattached. You can either left, center,
or right justify it. The default is to left justify the text.
Font Select the font, style and size for the text
4 Click OK.
5 Click the location on the plot where you would like to have the
text placed.
6 If the text is attached to a data point, Aspen Plus automatically
draws a line to the nearest curve. If this location is not desired,
the point of attachment can be selected and dragged to any
point on any curve in the plot.
Modifying Text To modify text on a plot:
1 Select the text that you want to modify. It will be highlighted
once it is selected.
2 Click the right mouse button and click Edit.

Aspen Plus 11.1 User Guide Working with Plots • 13-7

 3 Use the Plot Text Settings dialog box to change the text.
4 Click OK.
You can also change the default text font on a plot. For
information on changing plot defaults, see Changing Plot
Defaults.
Changing Plot Most of the elements of a plot can be modified using the Plot
Properties Control Properties dialog box. To access this dialog box:
• Double-click the plot.
– or –
Click the right mouse button over the plot and from the menu
that appears, click Properties.
For help on changing plot properties, see one of the following
topics:
• Changing plot attributes
• Displaying the plot legend
• Modifying the plot legend
• Changing the Axis Map
• Changing plot titles
• Changing plot axis labels
• Changing plot axes
• Changing the grid display
• Adding a time stamp

13-8 • Working with Plots Aspen Plus 11.1 User Guide

 Changing Plot Attributes You can change the appearance of data lines on a plot. The color,
line, type and marker type can be modified for each variable.
To change the attributes of the data lines on the plot:
1 Display the plot.
2 Click the right mouse button on the plot and from the menu
that appears, click Properties.
3 Click the Attribute tab.

4 Select the variable.

5 Select the Color, Marker, and Line type for that variable.
Displaying the Plot To show a legend on a plot:
Legend
1 Display the plot.
2 Click the right mouse button on the plot and from the popup
menu, point to Modify, then click Show Legend.
Modifying the Plot You can modify the legend text and font:
Legend
1 Display the plot.
2 Double-click the legend.
3 On the Plot Legend dialog box, click the line of the legend that
you want to change and it appears in the Legend Text box.
4 In the Legend Text box, change the legend.
5 Click Replace.
6 Repeat steps 3–4 for every line of the legend that you want to
change.
7 On the Font tab, you can modify the font for the entire legend.
The legend can be hidden and then revealed, and all changes to
the legend will be preserved.

Aspen Plus 11.1 User Guide Working with Plots • 13-9

 You can also change whether a legend appears by default on
your plots. For information on changing plot defaults, see
Changing Plot Defaults.
Changing the Axis Map If a plot has more than one dependent variable, by default
Aspen Plus displays the plot with a separate Y axis scale for each
dependent variable. You can map all variables to a single axis, or
you can map groups of variables to designated axes.
For example, if you plot column mole fraction profiles for five
components, you can plot all components against a single Y axis
scale. If you plot temperature, liquid rate and vapor rate on the
same plot, you can plot temperature on one axis and both flow
rates on another.
To specify axis mapping:
1 Display the plot.
2 Click the right mouse button on the plot and from the popup
menu, click Properties.
3 Click the AxisMap tab.

4 Select a dependent variable.

5 This table shows what you can do:
Use To
The Up and Down arrows Change the axis number the variable is mapped to. If you reduce an axis
number to zero, the plot of the dependent variable is not displayed.
The All in One button Map all dependent variable to a single axis.
The One for Each button Map each dependent variable to a separate axis.
6 Click OK.

13-10 • Working with Plots Aspen Plus 11.1 User Guide

 Changing Plot Titles You can change the text on the plot titles at any time by
customizing the font, style, and size for the text.
To change the plot title for a specific plot:
1 Display the plot that you want to change.
2 Double-click the title that you want to change.
3 On the Text tab, enter the text for the title.
4 On the Font tab, select the font, style, and size for the text.
You can also change the default text font for plot titles. For
information on changing plot defaults, see Changing Plot
Defaults.
Changing Plot Axis The text on the plot axis labels can be modified at any time. The
Labels font, style, and size for the text can also be customized for each
label.
To change the plot axis labels for a specific plot:
1 Display the plot.
2 Double-click the axis label that you want to change.
3 On the Text tab, enter the text for the axis label.
4 On the Font tab, select the font, style, and size for the text.
5 Repeat steps 2–4 for any other axes that you wish to modify.
You can also change the default font for all plot axis labels. For
information on changing plot defaults, see Changing Plot
Defaults.
Changing Plot Axes The scale options for the X and Y axes can be changed in order
that a specific area of the plot can be viewed. If a plot has more
than one Y axis scale, the scale for each one can be changed
separately.
To change scale options for the X or Y axis:
1 Display the plot.
2 Double-click the Axis values that you want to change.
3 Select whether you want a linear, log or inverse scale.
4 Change the Grid interval.
– or –
To return to the automatic grid interval determined by
Aspen Plus, turn off the Lock grid option.
5 Use the Axis Range settings to plot only a subset of the data, or
to specify endpoints for the axis scale. To return to the
automatic range determined by Aspen Plus, delete the entries
from the Range text boxes.

Aspen Plus 11.1 User Guide Working with Plots • 13-11

 6 The Value Range boxes (displayed below the Axis Range
boxes) show the range of data.
7 If you want to invert the axis to display the variable values
decreasing from the origin, check the Variable Descends box.
8 On the Font tab, select the font, style and size for the text.
Changing the Grid To change the grid and line display options for a specific plot:
Display for a Plot
1 Display the plot.
2 Double-click the plot background.
3 Click the Grid tab.
4 Change the options desired.
This table shows the display settings that you can change:
Choose this To
Plot Option
Grid Define the type of grid for the plot. Choose from:
Mesh (Horizontal and vertical grid)
Horizontal
Vertical
No grid
Line Select the line style for the data curves. Choose from:
Lines & markers
Lines
Markers
Flip coordinate Flip the x and y axes
Square plot Set the range of the x and y axes to be the same
Diagonal line Draw a diagonal line where x=y on the plot
Zero line Draw a horizontal line at the zero point of the x axis
Marker size Modify the size of the markers displayed in the plot
You can also change the default display options for plots. For
information on changing plot defaults, see Changing Plot
Defaults.
Adding a Time Stamp A time stamp can be added to a plot to mark the date and time that
the plot was created. The time stamp can include any combination
of:
• Date
• Time
• Version
• RunID
• Username

13-12 • Working with Plots Aspen Plus 11.1 User Guide

 To add a time stamp to a plot:
1 Display the plot.
2 From the Edit menu, click Insert Time Stamp.
The time stamp is simply text. To modify the time stamp, use the
same instructions for modifying text.
You can also change the default time stamp for plots. For
information on changing plot defaults, see Changing Plot
Defaults.

Working with Plots

For help on working with plots, see one of the following topics:
• Updating plots when results change
• Adding data to plots
• Comparing runs using plots
• Deleting data points and curves
• Displaying a different range of data
• Changing plot defaults
• Printing plot files
Updating Plots When If you leave a Plot window open when you rerun a simulation, by
Results Change default Aspen Plus does not redraw the plot using data from the
new run.
To have a plot updated when results change:
1 Display the plot that you want to modify.
2 From the Edit menu, click Live Plot.
This option can also be selected in the Plot Wizard.
Adding Data to Plots You can add additional curves to existing plots.
To add data:
1 Display the sheet that contains the data you want to add to an
existing plot.
2 Select the dependent and independent variables.
The selected data needs to have the same x-axis variable as the
existing plot. For example, if the existing plot is temperature
vs. stage number, the data selected needs to be something vs.
stage number.
3 From the Plot menu, click Add New Curve.
4 In the Plot Window List dialog box, click the Plot where you
want to add the new data.

Aspen Plus 11.1 User Guide Working with Plots • 13-13

 5 Click OK.
The new curve is added to the plot.
Comparing Runs You can use the Add New Curve feature to compare the results
Using Plots from different runs in a single plot.
1 After the first simulation, create the plot.
2 From the Plot menu, ensure that the Animate Plot option is not
checked.
3 Change the input specifications and re-run the simulation.
4 Display the results sheet containing the data you want to
compare against the first run. Select the same independent and
dependent variables as in the first plot.
5 From the Plot menu, click Add New Curve.
6 In the Plot Window List dialog box, click the Plot where you
want to add the new data.
7 Click OK.
The new curve will be added to the plot.
Deleting Data Points From an existing plot, you can delete:
and Curves from • Selected data points
Plots
• An entire curve
After you delete data points from a plot, Aspen Plus redraws the
curve automatically.

Note: You cannot recover deleted data points. You must

regenerate the plot if you want to see them again.

Deleting Selected Data To delete selected data points from a plot:

Points
1 Display the plot.
2 Hold down the left mouse button and drag the cursor to form a
rectangular outline around the data points that you want to
delete.
3 Click the right mouse button.
4 From the menu that appears, click Delete Points.

Note: You cannot recover deleted data points.

Deleting an Entire Curve To delete an entire curve:

1 Display the plot.
2 Click the right mouse button.
3 From the popup menu, point to Modify, then click Hide
Variable.

13-14 • Working with Plots Aspen Plus 11.1 User Guide

 4 Select a variable and use the Hide and Show arrow buttons to
move the desired variables from the Shown Variables list to the
Hidden Variables list.
Hidden curves can later be revealed using these same steps.
Displaying a Different Use the zoom commands to display a different range of data on a
Range of Data on a plot:
Plot This zoom option Zooms
Zoom Auto In by an automatic amount
Zoom Out Out by an automatic amount
Zoom Full To the full plot
For example, to zoom in on a specific range of data:
1 Display the plot.
2 Select the region of interest on the plot. To do this, hold down
the left mouse button and drag the cursor to form a rectangle
outline.
3 Click the right mouse button in this region and from the menu
that appears, click Zoom In to display the region you selected.
4 To display the entire plot again, click the right mouse button in
the plot and from the popup menu, click Zoom Full.
Changing Plot To change the defaults used to generate a plot:
Defaults 1 From the Tools menu, click Options.
2 From the Plots tab, click the defaults that you want to change.

3 Click the Title, Axis label, Axis scale, or Annotation buttons to

modify the default font for the different types of text on a plot.

Aspen Plus 11.1 User Guide Working with Plots • 13-15

 4 Use the lists to select the Grid Style and the Line Style used for
new plots.
5 Use the Marker Size box to specify the size of data markers in
plots.
6 Check the Show legend and/or Show Time Stamp boxes to
display these elements by default on a new plot. The
components of the time stamp can also be selected in this
manner.
Printing a Plot You can print a selected plot. To do this:
1 Display the plot that you want to print.
2 From the File menu, click Print.
For more information on printing, see chapter 14.

13-16 • Working with Plots Aspen Plus 11.1 User Guide

 C H A P T E R 14

Annotating Process Flowsheets

Overview
For help on annotating Process Flowsheets, see one of the
following topics:
• Adding annotations
• Displaying global data
• Using PFD mode
• Printing

Aspen Plus 11.1 User Guide Annotating Process Flowsheets • 14-1

 Adding Annotations
Additional text, graphics, and tables can be added to your
flowsheets.
For example, this illustration shows annotation turned on to show a
title and a table of stream results.

Adding Stream You can add stream tables to your flowsheets to display stream
Tables properties in a birdcage format.
To generate a stream table in your flowsheet:
1 Ensure that the flowsheet has results available. If results are not
available, run the simulation.
2 From the View menu, ensure Annotation is selected.
3 Display the Results Summary Streams sheet. To do this, in the
left pane of the Data Browser, click Results Summary, then
Streams.
Results for all of the streams are displayed. If you only want
selected streams to be displayed:
• In the Display box, select Streams instead of All Streams.
• Then select the desired stream from the list at the top cell of
each column.
4 In the Format box, select the format you want. The format
controls how Aspen Plus displays results. Options include
order, labels, units, and precision.
The different formats are created using Stream Summary
Format Files (*.tff files). All of the files with this extension in

14-2 • Annotating Process Flowsheets Aspen Plus 11.1 User Guide

 the system directory or in the working directory will appear in
the Format list.
5 Click the Stream Table button.
Aspen Plus adds the stream table to your drawing.
The table is scaled for printing so if you cannot read its
contents on screen, you can zoom in on it, or resize it.
6 Move the table to the position you want, using the keyboard or
mouse.
7 You can attach the table to a block or stream. From the Table
popup menu, click Attach. See also Attaching Objects to the
Flowsheet.
8 To arrange the table in multiple rows of streams, from the
Table popup menu, click Stack Table.
Resizing Stream Tables You can resize stream tables by changing the font size. To do this:
1 Click on the stream table to select it.
2 On the Draw toolbar, change the font size.
The stream table resizes accordingly.
For help on viewing the Draw toolbar, see Viewing Toolbars.
Adding Graphics To add lines, circles, or boxes to a flowsheet:
Objects 1 From the View menu, ensure Annotation is selected.
2 Ensure the Draw toolbar is displayed. See Viewing Toolbars
for more information.
3 From the Draw toolbar, select the drawing tool that you want,
and the line style and fill color that you want.
4 Move the cursor to where you want to place the object.
5 Hold down the mouse button until the cursor changes to the
resize shape (+).
6 Drag the cursor to create the object in the size you want, then
release the mouse button.
7 To fill in the graphics object, select the object and check fill on
the object’s popup menu.
You can change the attributes of an object after you place it. Select
the object, then select the line style or fill color from the Draw
toolbar.
Use the mouse or keyboard to move and resize graphics objects.
You can attach the graphics object to a block or stream by clicking
the block or stream with the right mouse button and from the
popup menu that appears, clicking Attach.

Aspen Plus 11.1 User Guide Annotating Process Flowsheets • 14-3

 It is helpful to show the grid and use grid options when placing,
moving, and resizing graphics objects. For more information see
Aligning Objects in Flowsheets.
Adding Text Objects To add text annotations to a flowsheet:
1 On the View menu, ensure Annotation is selected.
2 Ensure the Draw toolbar is displayed. See Viewing Toolbars
for changing which toolbars are displayed.
3 From the Draw toolbar, click the text button .
4 Move the cursor to where you want to place the text and click
the mouse button.
5 Type the text.
Use the mouse or keyboard to move and resize text you have
placed.
You can also attach the object to a block or stream. To do this,
click the block or stream with the right mouse button and from
the popup menu that appears, click Attach.
It is helpful to show the grid and use grid options when placing,
moving, and resizing text. For more information see Aligning
Objects in Flowsheets.
Specifying Text Attributes You can change the appearance of text objects after you place
them in your flowsheet by selecting the text object then using the
Draw toolbar to specify the attributes.
To specify the default text attributes for all subsequent text that
you add:
1 Ensure no text objects are selected in the drawing.
2 In the Draw toolbar, specify the attributes you want.
Editing Text Objects In a flowsheet, you can edit a text object.
To edit a text string:
1 Select the text string and click the right mouse button.
2 From the popup menu that appears, click Edit.

14-4 • Annotating Process Flowsheets Aspen Plus 11.1 User Guide

 About Global Data
Global data consists of simulation results for each stream, and for
each block that calculates duty or power.
You can display the following global data directly on a flowsheet:
This data Is displayed
Stream temperature, pressure, mass In symbols attached to stream IDs
flow rate, volume, molar flow rate,
and vapor fraction
Heat stream duty In symbols attached to stream IDs
Work stream power In symbols attached to stream IDs
Block heat duty and power Next to the block icon
Here is an example where Global data is turned on to show
temperature, pressure, and flow rate for each stream.

Aspen Plus 11.1 User Guide Annotating Process Flowsheets • 14-5

 Displaying Global To display global data in a flowsheet:
Data 1 From the View menu, ensure Global data is selected.
2 Ensure that the flowsheet has results available. If results are not
available, run the simulation.
3 From the Tools menu, click Options.
4 Click the Results View tab.
5 Select a units set for the data from the list.
6 Select the results you want to display.
For each result, specify a numerical format.
The recommended format is %10.2f. This format prints values
with two digits to the right of the decimal, if there is room. If
the number is greater than 9,999,999, Aspen Plus eliminates
the fractional digits, then spills over the field range to the left.
Other common formats used in stream tables are:
Stream table format Prints
%10.0f Whole numbers, with no decimal digits or exponents
%[Link] Numbers without exponents and with n digits to the right of the decimal
point, if there is room. Decimal points line up, unless decimal digits have
been eliminated in some numbers.
%[Link] Numbers in exponential notation, with n+1 significant digits
7 Click OK to close the dialog box and display the data.
A legend box shows the global data symbols and units. You
can move and resize the legend in the same way that you move
and resize blocks.

About PFD Mode

Aspen Plus has a special Process Flow Diagram (PFD) mode that
enables you to create customized diagrams from your simulation
results. In this mode, you can add or delete unit operation icons to
the flowsheet for graphical purposes only.
Using PFD mode means that you can change flowsheet
connectivity to match that of your plant.
To use the PFD mode:
• Turn PFD mode on and off from the View menu.
The default is PFD Mode turned off.
Using PFD Mode to Using PFD mode means that you can change flowsheet
Change Flowsheet connectivity to match that of your plant.
Connectivity In the simulation flowsheet, you may need to use more than one
unit operation block to model a single piece of equipment in a

14-6 • Annotating Process Flowsheets Aspen Plus 11.1 User Guide

 plant. For example, a reactor with a liquid product and a vent may
need to be modeled using a RStoic reactor and a Flash2 block. In
the report, only one unit operation icon is needed to represent the
unit in the plant.
Alternatively, some pieces of equipment may not need to be
explicitly modeled in the simulation flowsheet. For example,
pumps are frequently not modeled in the simulation flowsheet; the
pressure change can be neglected or included in another unit
operation block.
When PFD mode is on, you can:
• Add blocks and streams that are not in the simulation flowsheet
• Delete blocks and streams that are in the simulation flowsheet
In summary:
Have PFD mode When you
Off Create a simulation flowsheet (default)
On Prepare customized PFD-style drawings for reports
Example of Aspen Plus in When the PFD mode is on, PFD mode is shown on the status bar
Simulation Mode and and a aqua border is displayed at the edge of the Process Flowsheet
PFD Mode Window.
Simulation Mode:

Aspen Plus 11.1 User Guide Annotating Process Flowsheets • 14-7

 PFD mode:

Creating a Process To create a process flow diagram:

Flow Diagram 1 Display the simulation flowsheet.
2 From the View menu, ensure PFD mode is checked.
You are now in PFD mode. Aspen Plus displays a copy of your
simulation flowsheet.
3 Modify the drawing, as described in subsequent sections of this
chapter.
4 To exit PFD mode, from the View menu, clear the PFD mode
checkbox.

Important: PFD-style drawing is completely separate from the

graphical simulation flowsheet. You must return to simulation
mode if you want to make a change to the simulation flowsheet.

Grouping Objects
You can create temporary or permanent groups of text and
graphics objects in your flowsheet.

14-8 • Annotating Process Flowsheets Aspen Plus 11.1 User Guide

 You can select a region containing both the objects and flowsheet
blocks and streams. You can move the selected text, graphics, and
flowsheet objects as a unit. But you must perform all other
operations separately for the different groups in the region.
When you select a temporary group, you can move, resize, or
change attributes of all objects in the group together.
A permanent group becomes a single object in the drawing. You
can select, move, resize, rotate, or change the attributes of all
objects in the group together. Permanent groups may only contain
text and graphic objects added to the flowsheet in PFD mode, but
you can attach the entire group to a flowsheet block or stream. For
more information, see Attaching Objects to the Flowsheet.
Creating Temporary To create a temporary group in your flowsheet:
Groups 1 Select a region that contains text or graphics objects by using
the mouse to draw a box around the region.
2 You can add or remove objects by holding down Ctrl and
clicking the mouse.
3 Work with the selected group to perform the operations you
want. For more information see Working with Temporary
Groups.
4 To deselect the group, move the mouse away from the group
and click.

Aspen Plus 11.1 User Guide Annotating Process Flowsheets • 14-9

 Working with Temporary After creating a temporary group, you can perform these
Groups operations:
To do this Use the And
Move the Keyboard or mouse Move the group as if it were
group a single object.
Resize the Resize button or + and - keys Drag the mouse or hold
group down the key until the
group is the size you want
Change Draw toolbar Select the attribute you
attributes want.
Zoom in or Popup menu. Click the right Select Zoom In or Print.
print mouse button within the
region, but outside the group
select buttons.
Use other Popup menu. Click the right Select a command.
group mouse button on the group.
commands
Creating Permanent To create a permanent group:
Groups 1 Select a temporary group.
2 Click with the right mouse button on an object in the group.
3 From the Group popup menu that appears, click Group.

Note: A permanent group may only contain text and graphical

objects added to the flowsheet in PFD mode, but you can attach a
permanent group to a flowsheet block or stream. For more
information, see Attaching Objects to the Flowsheet.

Making Permanent To convert a permanent group to a temporary group:

Groups into Temporary
1 Click the right mouse button on the group
Groups
2 From the Group popup menu that appears, click Ungroup.
Aligning Objects in If the Snap to Grid option is on, any text or graphics objects that
Flowsheets you add or move align to a grid.
To display the grid:
1 From the Tools menu, click Options.
2 Click Grid/Scale.
3 Check Show Grid to see the grid on the screen.
You may need to position or size objects more precisely than the
default grid allows. To do this, you can:
• Turn off the Snap to Grid option
• Reduce the grid size
• Display a ruler

14-10 • Annotating Process Flowsheets Aspen Plus 11.1 User Guide

 You can also use the Process Flowsheet toolbar to perform all
these operations quickly.
Turning off Snap to Grid To turn off the Snap to Grid option:
1 From the Tools menu, click Options.
2 Click the Grid/Scale tab.
3 Clear the Snap to Grid checkbox.
Changing the Grid Size To change the grid size:
1 From the Tools menu, click Options.
2 Click the Grid/Scale tab.
3 Select the Grid Size from the list.
Displaying a Ruler You can display a ruler to help you see where you are within the
overall drawing grid:
1 From the Tools menu, click Options.
2 Click the Grid/Scale tab.
3 Check Show Scale to turn it on.
When precisely aligning text and graphics, it is helpful to zoom in
on the area of the flowsheet where you are working.
Attaching Objects to You can attach stream tables, permanent groups, and OLE objects
the Flowsheet to flowsheet blocks or stream IDs. Attached objects move with the
parent block or stream ID.
To attach an object to a flowsheet:
1 Click the object to select it.
2 Click the right mouse button on the object.
3 From the popup menu that appears, click Attach.
The mouse changes to the connect pointer.
4 Click the block or stream to which you want the object
connected.
5 Move the object where you want it, relative to the parent block
or stream ID.
When you select an attached object, small boxes indicate the
parent block or stream.
To unattach an object:
• From the object’s popup menu, deselect Attach.

Aspen Plus 11.1 User Guide Annotating Process Flowsheets • 14-11

 Printing
For help on printing, see one of the following topics:
• Specifying your print settings in the Page Setup dialog box
• Viewing the page layout and adjusting the page breaks
You can print the following in Aspen Plus:
• The entire flowsheet
• A section of a flowsheet
• Plots
• Online Documentation and Help

Tip: To print Aspen Plus forms, copy and paste the information to
Microsoft Excel, then print.

Using Page Setup Use Page Setup to control the appearance of printed sheets, paper
size, including margins, orientation, and other printing options.
Aspen Plus uses the Number of Pages setting only when you print
an entire drawing or flowsheet section. Aspen Plus superimposes
the drawing on a page layout. The layout is defined by:
• Number of vertical and horizontal pages
• Page orientation
• Paper size
You can use Page Break Preview on the View menu to see where
the page breaks are located on the drawing.
Aspen Plus scales drawings proportionally to fill the page in the
limiting direction (horizontal or vertical), within built-in margins.
It does not distort the drawing to fill the page in both directions.
Specify your settings for printing the flowsheet window on the
Page Setup dialog box:
• From the File menu, click Page Setup.
Viewing Page Breaks You can view the page breaks in order to visualize the layout and
adjust what is going to be printed. You should avoid printing
drawings with icons or IDs spanning page boundaries.
Adjust the position of the drawing on the page by:
• Repositioning the flowsheet objects on the individual pages
• Moving and resizing the page layout frame
You can change the page layout at any time by changing the
settings on Page Setup. Aspen Plus will redraw the page breaks.

14-12 • Annotating Process Flowsheets Aspen Plus 11.1 User Guide

 To view the page layout:
1 From the View menu, click Page Break Preview.
2 Complete the Page Setup dialog box or accept the defaults if
this sheet has not been viewed previously.
In the Page Setup dialog box, you can specify the number or
horizontal and vertical pages, the paper size and source, the
paper orientation (portrait or landscape), and the margins.
3 When the flowsheet is superimposed on the current page
layout, you can select the borders to move the location of the
pages, and you can select a corner to change the size of the
pages relative to the flowsheet.

Note: All the pages must remain equally sized.

4 You can also move elements of the flowsheet such as the unit
operation icons, tables, and annotation to a desired location. In
this way, you can determine what is present in the print area.

Tip: It is often helpful to select Zoom Full from the View menu in
order to view the entire Flowsheet before adjusting the page
breaks.

Printing a Flowsheet To print a flowsheet:

1 Click in the Process Flowsheet Window to make it active.
2 Click the Printer button on the Standard toolbar.
– or –
From the File menu, select Print.
3 Choose the printer and desired settings in the Print dialog box.
4 Click OK.
Printing a Section of To print a section of flowsheet:
Flowsheet 1 From the Flowsheet menu, click Flowsheet Sections.
2 Choose the flowsheet section you want to print and click OK.
3 From the View menu, click Current Section Only.
4 Click the Printer button on the toolbar.
5 Choose the printer and desired settings in the Print dialog box.
6 Click OK.
Displaying and Printing In a flowsheet divided into sections, when the View only current
Attached Objects with section option is on in the Section Object Manager, attached
Flowsheet Sections objects display and print with the section they are attached to.
For example, you can generate a stream table consisting of all the
streams in a section and attach it to a block in the section. If you

Aspen Plus 11.1 User Guide Annotating Process Flowsheets • 14-13

 print the section, the stream table prints with it. Unattached
annotation objects or OLD objects display and print with all
sections. For more information on flowsheet sections, see About
Flowsheet Sections.
Printing Large For large flowsheets, it is often necessary to print the flowsheet on
Flowsheets multiple pages. You may also want to only print one flowsheet
section at a time.
To print on multiple pages:
1 From the File menu, click Page Setup.
2 Specify the desired number of horizontal and vertical pages.
3 From the View menu, click Page Break Preview.
4 Select the page borders to move the location of the pages, or
select a corner to change the size of the pages relative to the
flowsheet.

Note: All of the pages must remain equally sized.

5 You can also move elements of the flowsheet such as the unit
operation icons, tables, and annotation and arrange them to fit
on a desired page.

14-14 • Annotating Process Flowsheets Aspen Plus 11.1 User Guide

 C H A P T E R 15

Managing Your Files

Overview
For help on managing files, see one of the following topics:
• File formats used during Aspen Plus runs
• Saving Aspen Plus document files
• Exporting Aspen Plus files
• Importing Aspen Plus files
• Saving an Aspen Plus run
• Managing files in a client-server environment
• Converting Pro/II input keyword files

Aspen Plus 11.1 User Guide Managing Your Files • 15-1

 File Formats in Aspen Plus
These are the major types of files used in Aspen Plus:
File Type Extension Format † Description
Document *.apw Binary Quick restart file containing simulation input and results and
immediate convergence information
Backup *.bkp ASCII Archive file containing simulation input and results
Template *.apt ASCII Template containing default inputs
Input *.inp Text Simulation input
Run Message *.cpm Text Calculation history shown in the Control Panel
History *.his Text Detailed calculation history and diagnostic messages
Summary *.sum ASCII Simulation results
Problem Definition *.appdf Binary Binary file containing arrays and intermediate convergence
information used in the simulation calculations
Report *.rep Text Simulation report
Model Library *.apm Binary User-created model library consisting of pre-configured
models or flowsheets for distribution and re-use.
Embedded Backup *.apmbd Binary Information on objects such as spreadsheets and pictures
File embedded in the Aspen Plus simulation
† In this context, a text file is one that you can read with a standard
editor such as Notepad®.
A binary file cannot be read by the user.
An ASCII file can be opened in an editor, but is formatted to be
read by a program, not a person. ASCII files are portable across
different hardware platforms.
Document Files Aspen Plus document files contain all input specifications,
(*.apw) simulation results, and intermediate convergence information. If
you save a run as a Document file before you exit from
Aspen Plus, the next time you open the run it is in exactly the same
state as when you saved it. If you reopen a run saved as a
Document file, Aspen Plus restarts the calculations using the
previous results.
Document files can be opened in the Aspen Plus User Interface
and saved.
Disadvantages

Document files (.apw) are not compatible across different versions

of Aspen Plus.
Advantages

For longer simulations, Document files are much quicker to load

into and save from the Aspen Plus User Interface.

15-2 • Managing Your Files Aspen Plus 11.1 User Guide

 Because Document files contain intermediate convergence
information, the run can be started exactly where it was saved.
Intermediate results are especially useful when you save a file
while in the process of trying to converge a large flowsheet.
Saving an Aspen Plus To save an Aspen Plus document after a completed run:
Document
1 On the File menu, click Save As.
2 From the Save as Type list, select Aspen Plus Documents
(*.apw).
3 Choose the directory and filename that you want.
4 Click Save.
When you exit Aspen Plus or open a new run, a dialog box asks if
you want to save the current run. Select Yes to save the run in
Aspen Plus format.
Backup Files (*.bkp) Aspen Plus Backup files contain a compact version of your
Aspen Plus run. They occupy much less disk space than files saved
in Document format, and are thus preferable for long-term storage.
Backup files contain all input specifications and simulation results,
but no intermediate convergence information. If you reopen a
converged run stored as a backup file and rerun the simulation,
Aspen Plus:
• Reinitializes the streams and blocks
• Reconverges the entire simulation
Backup files are ASCII files. You can use them to transfer runs
between:
• Computers
• Versions of Aspen Plus
The advantage of the Backup (.bkp) files over Document (.apw)
files is that the Backup files are upwardly compatible through
different versions of Aspen Plus and are portable. For example,
they can easily be emailed.
Backup files can be opened and saved in Aspen Plus. They can
also be imported into a current run, and partial or complete
flowsheets can be exported. For more information, see Exporting
Aspen Plus Files.
You can import runs saved in Backup format into your current run.
Aspen Plus merges the information and specifications contained in
the backup file with your current run.
For example, you can have two sections of a flowsheet stored in
separate backup files. You can import these two backup files into a
single run, merging the two flowsheet sections.

Aspen Plus 11.1 User Guide Managing Your Files • 15-3

 For information on inserts (partial backup files that you can import
at any time), see chapter 34, Inserts.
Maintaining Upward When importing a backup file, you can control compatibility
Compatibility between Aspen Plus versions.
The Upward Compatibility dialog box appears when you open a
backup file that was created with the Aspen Plus simulation
engine, or with a previous version of Aspen Plus.
New features in Aspen Plus may mean your results differ from
those of previous versions. To maintain upward compatibility and
obtain the same results as your previous version of Aspen Plus,
ignore the new features. To do this:
• In the Upward Compatibility dialog box, select Maintain
Complete Upward Compatibility.
To use the new features:
• In the Upward Compatibility dialog box, select Use the
Following New Features, and select the features you want
from:
− New pure component databanks
− New property methods
− New built-in binary parameters
− New ADA/PCS procedures
− Calculated molecular weight obtained from formula
− Checking of user-specified sequence

Note: If you are opening a file created by Version 9 or 10 of the

Aspen Plus user interface, you will get only the option of using the
new pure component databank, PURE11.

The default options for this dialog box are specified on the
Upward Compatibility tab of the Tools | Options dialog box. On
this tab, you can also tell Aspen Plus not to display the Upward
Compatibility dialog box. If you do so, then the defaults specified
on the Tools | Options | Upward Compatibility tab are
automatically applied when you open a backup file not made by
the current version of the Aspen Plus user interface.
Saving a Backup File To save an Aspen Plus backup file after a completed run:
1 From the File menu, click Save As.
2 In the Save As dialog box, select Aspen Plus Backup File
(*.bkp) from the Save as Type list.

15-4 • Managing Your Files Aspen Plus 11.1 User Guide

 3 Select the directory and enter a filename. The file can be in any
directory.
4 Click Save.
Exporting a Backup File You can export a backup file at any time without saving your
current run.
To generate and export an Aspen Plus backup file:
1 From the File menu, click Export.
2 In the Export dialog box, select Aspen Plus Backup File
(*.bkp) from the Save as Type list.
3 Select the directory and enter a filename. The file can be in any
directory.
4 Click Save.
You can also export just the contents of a Hierarchy block as a
backup file. None of the global information is included in this
backup file. To do this:
1 Click to open the Data Browser.
2 Open Blocks.
3 Click the right mouse button on the Hierarchy block to be
exported and select Export.
4 Enter a filename and click Save.
Importing a Backup File You can import runs saved as backup files into your current run.
Aspen Plus merges the information and specifications contained in
the backup file with your current run.
For example, you can have two sections of a flowsheet stored in
separate backup files. You can import these two backup files into a
single run, merging the two flowsheet sections.
To import a backup file into your current simulation:
1 From the File menu, click Import.
2 In the Import dialog box, select the Aspen Plus Backup File
(*.bkp) file type from the Save as Type list.
3 Enter a filename. The file can be in any directory.
4 Click Open.
5 If the Resolve ID Conflict dialog box appears, there are objects
that have the same ID as objects in the current run.
To import the contents of a backup file into a Hierarchy block:
1 Click to open the Data Browser.
2 Open Blocks.

Aspen Plus 11.1 User Guide Managing Your Files • 15-5

 3 Click the right mouse button on the Hierarchy block, and select
Import.
4 In the Import dialog box, select the backup file to be imported,
and click Open.
5 If the Resolve ID Conflict dialog box appears, there are objects
that have the same ID as objects in the current run.
Template Files (*.apt) You can select a Template when creating a new run. Templates set
defaults for some or all of the following:
• Units of measurement
• Property sets for reporting stream properties
• Composition basis for stream reporting
• Stream report format
• Global flow basis for input specifications
• Setting for Free-Water option
• Selection for Stream-Class
• Property option set
• Required components (such as water)
• Other application-specific defaults
About the Built-in The built-in Templates are:
Templates
• Air Separation
• Chemicals
• Electrolytes
• Gas Processing
• General
• Hydrometallurgy
• Petroleum
• Pharmaceuticals
• Polymers
• Pyrometallurgy
• Solids
• Specialty Chemicals
For each Template, you can select either metric or English units of
measurement. You can modify the built-in templates to meet your
company’s requirements, or you can create new templates.
You can start a simulation with a template or you can import a
template into your current simulation.
There is no limit to the amount of information that can be included
in a template: setup information, components, unit sets, property

15-6 • Managing Your Files Aspen Plus 11.1 User Guide

 specifications, and even unit operation models can all be saved in a
template.
Saving a Template File To save an Aspen Plus template file:
1 From the File menu, click Save As.
2 In the Save As dialog box, select Templates (*.apt) from the
Save as Type list.
3 Select the directory and enter a filename. The file can be in any
directory.
4 Click Save.

Tip: The format for a template file is the same as for a backup file.
It is possible to create a template from a backup file, by changing
the extension from .bkp to .apt.

Importing a Template File To import an Aspen Plus template file:

1 From the File menu, click Import.
2 In the Import dialog box, select the Templates (*.apt) type from
the Files of Type list.
3 Enter a filename. The file can be in any directory.
4 Click Open.
5 If the Resolve ID Conflict dialog box appears, there are objects
that have the same ID as objects in the current run.
Input Files (*.inp) Aspen Plus input files are compact summaries of the specifications
for a flowsheet simulation. An input file can include graphical
information about the layout of the unit operation blocks and
streams in the Process Flowsheet Window.
An input file can:
• Be used as the input file for a stand-alone Aspen Plus engine
run
• Provide a compact summary of the input specifications for a
simulation (for example, to be included in a report)
• Provide the documentation of record for a simulation study (for
example, as part of the archives for a design project)
• Help expert users diagnose problems
You can generate an Aspen Plus input file from your simulation
specifications at any time. To save an input file, you must export it
from the Aspen Plus user interface.
The input file can be run directly by the simulation engine. See
Running Aspen Plus Standalone for details.

Aspen Plus 11.1 User Guide Managing Your Files • 15-7

 Opening an Input File To open an Aspen Plus input file in the user interface:
1 From the File menu, click Open.
2 In the Open dialog box, select Input Files (*.inp) from the Files
of Type list.
3 Enter a filename.
4 Click Open.
Exporting an Input File To generate and export an Aspen Plus input file:
1 From the File menu, click Export.
2 In the Export dialog box, select Input File (*.inp) or Input File
with Graphics (*.inp) from the Save as Type list.
3 Select the directory and enter a filename. The file can be in any
directory.
4 Click Save.
Import the backup file as described in Importing Aspen Plus Files.
Report Files (*.rep) Aspen Plus Report files document all of the input data and defaults
used in an Aspen Plus run, as well as the results of the simulation.
These are text files that can be read by the user.
Report files must be exported from the simulation to be saved.
Report files cannot be opened in the Aspen Plus User Interface.
If applicable, the DFMS input file (*.dfm), the Prop-Data file
(*.prd) and the Project file (*.prj) are exported along with the
report file.
Summary Files Aspen Plus Summary files contain all the results from the
(*.sum) simulation that are displayed in the Aspen Plus user interface.
Summary files are ASCII format files used to load the results into
the user interface. Summary files can also be used by other
programs to retrieve the results of the simulation.
Summary files must be exported from the simulation to be saved.
For more information, see Exporting Aspen Plus Files. Summary
files are automatically generated when running the Aspen Plus
simulation engine standalone. The summary file generated is called
[Link].
The results included in summary files can be imported in the
Aspen Plus User Interface. For more information, see Importing
Aspen Plus Files.
Exporting a Summary To generate and export an Aspen Plus summary file from a
File completed simulation:
1 From the File menu, click Export.
2 In the Export dialog box, select Summary File (*.sum) from the
Save as Type list.

15-8 • Managing Your Files Aspen Plus 11.1 User Guide

 3 Select the directory and enter a filename. The file can be in any
directory.
4 Click Save.
Importing a Summary File To import an Aspen Plus summary file:
1 From the File menu, click Import.
2 In the Export dialog box, select the Summary File (*.sum) file
type from the Files of Type list.
3 Enter a filename. The file can be in any directory.
4 Click Open.
Run Messages Files Aspen Plus Run Messages files are text files that include the error,
(*.cpm) warning, and diagnostic messages from the run. These are the
messages displayed on the Control Panel during a run. The number
of messages and the detail can be controlled globally on the Setup
Specifications Diagnostics sheet. You can also control the
messages locally for each block on the block BlockOptions
Diagnostics sheet.
Run Messages files are similar to history files (*.his). The
diagnostic level for history files and the control panel can be
adjusted independently. If you need a high level of diagnostics,
print to the history file (not to the control panel). This prevents any
performance degradation that might result from lengthy
diagnostics on the screen.
Run Messages files must be exported from the simulation to be
saved.
Exporting a Run To generate and export Run Messages file:
Messages File
1 From the File menu, click Export.
2 In the Export dialog box, select Run Messages File (*.cpm)
from the Files of Type list.
3 Select the directory and enter a filename. The file can be in any
directory.
4 Click Save.
History Files (*.his) The History file is a text file that includes an echo of the input
summary and the error, warning, and diagnostic messages from the
run. The number of messages and the detail can be controlled
globally on the Setup Specifications Diagnostics sheet. You can
also control the messages locally for each block on the block
BlockOptions Diagnostics sheet.
When you select History from the View menu, the Aspen Plus
history file is copied from the host computer to your local
computer. Aspen Plus executes your file editor to view the history
file.

Aspen Plus 11.1 User Guide Managing Your Files • 15-9

 A history file cannot be saved or exported from the Aspen Plus
User Interface. Save the file using History from the View menu. A
history file is saved automatically when you save a run as a
Document file.
The history file is similar to the Run Messages file. The diagnostic
levels for the history file and the control panel can be adjusted
independently. If you need a high level of diagnostics, print to the
history file (not to the control panel). This prevents any
performance degradation that might result from lengthy
diagnostics on the screen.

Opening Aspen Plus Files

You can open an existing Aspen Plus file from within Aspen Plus.
1 From the File menu, click Open.
2 In the Open dialog box, select the file type from the Files of
Type list.
3 Enter a filename or select a file from the available list, then
click Open.
4 The message "Do you wish to close the current run before
opening new run?", appears. Click No for the new simulation
to be opened in a separate window. Click Yes to close the
current run.

Tip: To speed up your search for files or directories, in the Open

dialog-box. click the Look in Favorites button to display a list of
pre-selected directories. Use the Add to Favorites button to place
frequently used directories into this list.

Types of Files You You can open the following types of Aspen Plus Files:
Can Open Type of File Extension Description
Document *.apw Quick restart file containing simulation input
and results and intermediate convergence
information
Backup *.bkp Archive containing simulation input and results
Template *.apt ASCII file used as template
Summary *.sum Simulation results
Input *.inp Simulation input information without graphics

15-10 • Managing Your Files Aspen Plus 11.1 User Guide

 Using the Favorites By default, the Favorites list contains 5 directories that are
List provided with Aspen Plus. The files in these directories are
designed to assist you in creating a suitable simulation model in
Aspen Plus.
This table shows the directories:
Directory Description
Assay Libraries Petroleum crude assays compiled from literature for
different regions of the world and selected crude
assays from the Phillips Petroleum Crude Assay
Library
Applications Application examples of real world problems covering
gas processing, petroleum refining, chemicals,
pharmaceuticals, and metals processing industries
Data Packages Special property data packages for industrially
important systems
Examples Selected examples
Electrolyte Electrolyte data packages for many industrially
Inserts important systems

Saving a Run
To save a file in Aspen Plus:
1 From the File menu, click Save As.
2 In the Save As dialog box, select the appropriate file type from
the Save as Type list. You can save Document, Backup, and
Template files.
3 Enter a filename. The file can be saved in any directory.
4 Click Save.

Exporting Aspen Plus Files

To generate and export an Aspen Plus file:
1 From the File menu, click Export.
2 In the Export dialog box, select the appropriate file type from
the Save as Type list.
3 Enter a filename. The file can be saved in any directory.
4 Click Save.

Aspen Plus 11.1 User Guide Managing Your Files • 15-11

 You can export the following types of Aspen Plus files:
Types of Files You
Can Export File Type Extension Format Description
Backup .bkp ASCII Archive containing
simulation input and results
Report .rep Text Report file
Summary .sum ASCII Simulation results
Input .inp Text Simulation input information
without graphics
Input File with .inp Text Simulation input and
Graphics graphical information
Run Messages .cpm Text Calculation history
Flow Driven .dynf Text Aspen Dynamics input and
Dynamic Simulation .[Link] Aspen Plus input
Pressure Driven .dynf Text Aspen Dynamics input and
Dynamic Simulation .[Link] Aspen Plus input
Flowsheet Drawing .dxf ASCII AutoCAD file of process
flowsheet
XML Results File .xml ASCII/ Aspen Plus simulation
XML results in XML format.

Importing Aspen Plus Files

To import an Aspen Plus file:
1 From the File menu, click Import.
2 In the Import dialog box, select the file type from the Files of
Type list. See Types of Files You Can Import for a list of the
files you can import.
3 Enter a filename. The file can be saved in any directory.
4 Click Open.
5 If the Resolve ID Conflicts dialog box appears, there are
objects that have the same ID as objects in the current run.

Tip To speed up your search for files or directories, in the Open

dialog-box. click the Look in Favorites button to display a list of
pre-selected directories. Use the Add to Favorites button to place
frequently used directories into this list.

15-12 • Managing Your Files Aspen Plus 11.1 User Guide

 Types of Files You You can import the following types of files:
Can Import File Type Extension Format Description
Backup *.bkp ASCII Archive containing simulation
input and results
Template *.apt ASCII ASCII file used as a template
IK-Cape .ikc ASCII IK-Cape neutral file for physical
property information
Summary *.sum ASCII Simulation results

Deciding How to Store a Simulation

Problem Definition
You can save an Aspen Plus simulation in the following
threeways:
• Save the Aspen Plus Document file
• Save the Aspen Plus Backup file
• Export the file as an Input file
This table summarizes the characteristics of the file formats used to
store the simulation problem:
Characteristic Document Backup Input
Simulation Definition (input specifications) X X X
Intermediate Convergence Information X
Results X X
Graphics X X X
User Readable X
ASCII Format X X
Readable by Aspen Plus User Interface X X X

Managing Files in a Client-Server

Environment
You can run the Aspen Plus user interface and the simulation
engine:
• On the same computer
• On different computers in your network
Usually, you do not need to be aware of how or where Aspen Plus
is installed. However, you should be aware of some file
management issues, described in the following sections.

Aspen Plus 11.1 User Guide Managing Your Files • 15-13

 The local computer is where the Aspen Plus user interface is
running. The host computer is where the Aspen Plus simulation
engine is running.
Specifying the If you have not specified a working directory, files created by the
Working Directory on Aspen Plus simulation engine are stored in your default login
the Host Computer directory on the host computer. To specify the working directory
where the simulation engine should execute:
From the Run menu, click Connect to Engine.
The host computer is where the Aspen Plus simulation engine is
running.
Saving Files When you save a run as an Aspen Plus Document (.apw) file using
Save or Save As from the File menu, Aspen Plus creates these files
in the following locations:
File Location
[Link] Local directory where you are running the user
interface, or the directory specified on the Save As
dialog box
[Link] Working directory on host computer specified in
the Connect to Engine dialog box
[Link] Working directory on host computer specified in
the Connect to Engine dialog box
View History To copy the Aspen Plus history file from the host computer to your
local computer:
From the View menu, click History.
Aspen Plus executes your file editor to view the history file.

Tip: If the history file is large, copying the history file to your
local computer can take a long time. In such a case, you should log
onto the host computer and view the file.

Specifying the Text Editor To specify the text editor:

1 From the Tools menu, click Options.
2 Click the Startup tab.
3 In the Text Editor box, type the name of the editor.
4 Click OK

15-14 • Managing Your Files Aspen Plus 11.1 User Guide

 Converting Pro/II Input Keyword Files
To convert a Pro/II input keyword file for use with Aspen Plus,
select the Pro/II Input file option for File type in the Aspen Plus
Open File dialog box. Select the appropriate Pro/II input file and
click Open.
Aspen Plus converts and saves the information to a backup file,
which in turn is opened in Aspen Plus. A dialog box appears,
displaying the converted and unconverted input keyword
specifications, to help with the conversion process.
The Pro/II conversion capability is provided to assist users in the
migration of simulation specifications from Pro/II models. Before
attempting to use the conversion tool, a detailed understanding of
the Pro/II and Aspen Plus syntax is desirable, especially of the use
of Pro/II qualifiers and the Pro/II and Aspen Plus input
conventions. A wide range of Pro/II input specifications are
converted directly by the tool, covering all the required Pro/II input
categories at varying degrees of detail:
• General Data
• Component Data
• Thermodynamic Data
• Stream Data
• Unit Operations Data
The Pro/II conversion capabilities in Aspen Plus have been
designed to preserve the information specified in the Pro/II input
file even for currently unsupported input keywords by retaining the
information as an unconverted Aspen Plus comment in the result
file. The optional Reaction Data (RXDATA) category is also
supported, but the converted data are linked only to reactions
referenced in a Pro/II COLUMN, not to reactor blocks present in
the flowsheet model and converted by Aspen Plus. The remaining
optional Pro/II input categories (Procedure, Recycle Data, and
Case Study) are not currently supported.

Aspen Plus 11.1 User Guide Managing Your Files • 15-15

 The table listed below gives a high level overview of the Pro/II
keywords currently supported by the Pro/II Converter capability of
Aspen Plus.
Pro/II Category Supported Pro/II Keywords Notes
General Data TITLE, CASEID, PROJECT, PROBLEM, Excludes Restart, Case Study, and
USER, DATE, COMMENT, DESCRIPTION, Accounting features.
DATE, DIMENSION, OUTDIMENSION,
READ
Component Data LIBID, NONLIBRARY, PETROLEUM, All components are mapped to
PHASE, ASSAY, CUTPOINTS, TBPCUTS, PURE11 databank components.
STDDENSITY, SPGR, API, NBP,
ACENTRIC, VC, TC, PC, ZC, RACKETT,
DIPOLE, RADIUS, SOLUPARA, MOLVOL,
HCOMBUST, HVAPORIZE, HFUSION,
NMP, PTP, TTP, GHV, ETA, FORMATION,
VANDERWAALS, VP, ENTHALPY,
DENSITY, LATENT, VISC, COND, SURF,
STRUCTURE, GROUP
Thermodynamic Data METHOD, SYSTEM, KVALUE,
ENTHALPY, DENSITY, PHI, WATER,
DECANT, SOLUBILITY, HENRY
Stream Data PROPERTY, D86, TBP, D1160, D2887, API,
SPGR, WATSONK, MW, LIGHTEND,
COMPOSITION, CLOUD, POUR, SULFUR,
SPROP, KVISC, REFSTREAMS
Reaction Data RXDATA Connections only to COLUMN.
Unit Operations Data FLASH, PUMP, VALVE, MIXER,
SPLITTER, COMPRESSOR, EXPANDER,
PIPE, COLUMN, SIDESTRIPPER,
SHORTCUT, HX, HXRIG, LNGHX,
REACTOR, GIBBS, PLUGFLOW, CSTR
CONREACTOR, EQUR, STCALC,
HCURVE, CONTROLLER
A broad coverage of Unit Operations Data is available to the user.
However, the tool does not by default convert the unit operation
data in the resulting Aspen Plus simulation. You can change this
default by selecting the checkbox at the bottom of the General tab
in the Tools | Options dialog box to convert all the block data that
can be mapped from Pro/II to Aspen Plus.

15-16 • Managing Your Files Aspen Plus 11.1 User Guide

 The table below gives a high level overview of the Pro/II keywords
not currently supported by the Pro/II Converter capability.
Pro/II Category Unsupported Pro/II Keywords Notes
General Data CALCULATION, TOLERANCE,
SEQUENCE, SCALE, PRINT, DBASE
Component Data ATTR, SVTB, SLTB, SLTM, HVTB, HLTB, Solids attributes not supported.
HLTM, CLOUD, POUR, SULFUR, SPROP CLOUD, POUR, SULFUR, and
SDPROP are supported if declared
as part of stream information.
Thermodynamic Data RVPMETHOD, TVPMETHOD, SET Although Aspen Plus supports
multiple data sets, the paradigm is
different than the one employed by
Pro/II in SET.
Stream Data SOLID, PSD, GENERAL, OUTPUT,
FORMAT
Procedure PROCEDURE
Unit Operations Data BVLE, CALCULATOR, CCDECANTER, Solids handling not supported.
CRYSTALLIZER, DEPRESS, DISSOLVER, PHASE can be modeled using the
DRYER, FCENTRIFUGE, FREEZER, Properties Analysis tools.
HEXTABLES, HYDRATE, MELTER, MVC,
OPTIMIZER, PHASE, RFILTER,
SIDERECTIFIER
Recycle Data RECYCLE DATA
Case Study CASESTUDY

Aspen Plus 11.1 User Guide Managing Your Files • 15-17

15-18 • Managing Your Files Aspen Plus 11.1 User Guide
 C H A P T E R 16

Customizing Your Aspen Plus

Environment

Overview
Configuration options are default settings that affect how you use
Aspen Plus. For example, configuration options enable you to
specify:
• Grid and scale settings
• Default Application Template file
• Which binary databanks are used as defaults
For help on customizing your Aspen Plus environment, see one of
the following topics:
• Choosing settings for the current run
• Choosing settings for all runs
• Specifying your default options
• Customizing Application Template files
• Using user model libraries

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-1
 Choosing Settings for the Current
Run
To change your configuration option settings for the current run:
From the You can select
View menu Any command
Tools menu Options
Window menu Any command

Customizing Settings for All Runs

To create a custom environment for subsequent Aspen Plus runs:
1 Open a blank run.
2 Customize the settings, then exit. You do not need to save the
blank run.
Your customized settings are saved in the Windows registry and
are used for all subsequent runs. If you modify any settings, the
new settings are used in subsequent runs.

Note: Some settings are saved with the simulation. If a setting that
is saved with a simulation differs from the setting in the registry,
the setting that is saved with the simulation will be used for that
simulation; however, subsequent simulations will use the setting
that is in the registry.

16-2 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 You can change which elements are visible by using the options on
Choosing View
the View menu. Display or hide elements, depending upon what
Options
you need at any given time.
These options are available from the View menu:
Click this option To
Toolbar Select the toolbars that are displayed.
Status Bar Select if the status bar on the main window is displayed.
Model Library Select if the Model Library is displayed.
Control Panel Select if the Control Panel is displayed.
Zoom In Magnify a portion of the drawing on the screen. If a Group or Region has
been selected, the selected region will be expanded to fill the screen.
When you zoom in on a selected region, the portion of the drawing
displayed may not be exactly what you selected, since proportional
vertical/horizontal scaling is maintained at all times.
Zoom Out Shrink the drawing on the screen in order to show more of the drawing
or to make room for more blocks or symbols. As you shrink the drawing,
text and some symbols will disappear from the screen due to the screen
resolution. These objects are not deleted, they reappear when you zoom
in, and print.
Zoom Full Display the entire drawing as large as possible in the workspace.
Center View Display the selected object in the center of the screen.
Pan Choose a region of the flowsheet to display at the current zoom level.
Bookmarks Create bookmark views or go to a bookmark.
Page Break Preview Select if the page breaks are displayed in the Process Flowsheet window.
For more information see chapter 13.
Reset Page Breaks Reset page breaks you have defined.
Current Section Only Select if only the current flowsheet section is displayed. For more
information on using flowsheet sections see About Flowsheet Sections.
PFD Mode Select whether PFD mode is on or off.
Reset PFD Delete the current PFD mode drawing and create a new one.
Global Data Select if global data is displayed for each stream. See Results View
Options for information about how to customize the global data.
Annotation Select if text annotation on the Process Flowsheet window is displayed.
OLE Objects Select if OLE objects are displayed. For more information, see chapter
38.
EO Sync Errors Select if SM to EO synchronization errors are displayed.
Input Summary View the input summary. For more information about the input file, see
Input Files (*.inp).
History View the history file. For more information about the history file, see
History Files (*.his).
Report View a section of the report file. For more information about the report
file, see Generating an Aspen Plus Report File.
Solver Reports View EO Solver Report. View DMO Active Bounds Report.
Prompts Select if prompts are displayed.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-3
 Using Toolbars The buttons on a specific toolbars cannot be customized. However,
the toolbars can be viewed, hidden, or moved to another location.
Toolbar settings are not saved with the simulation file. The toolbar
configuration is saved in the registry and will be used for all
subsequent files that are opened in Aspen Plus.
These toolbars are available:
Toolbar Buttons
Standard Standard Windows buttons used for basic operations
New, Open, Save, Cut, Print, Print Preview, Copy, Paste, Help
Data Browser Buttons used to display the next required step, the Data Browser, or one
of its various elements
Simulation Run Buttons used to control the execution of the simulation
Process Flowsheet (PFS) Buttons used to manipulate the unit operation, graphical or text objects
located in the process flowsheet
Dynamic Buttons used for dynamic simulations using Aspen Dynamics
Detherm Buttons used for Detherm application
Section Buttons used to manipulate flowsheet sections
CAPE-OPEN Buttons used to import and export CAPE-OPEN Property Packages
Draw Buttons used to add or modify graphical or text objects
EO Shortcuts Buttons used to perform EO operations and modify EO settings.
Viewing Toolbars You can choose which toolbars are shown in the main window of
Aspen Plus. To do this:
1 From the View menu, click Toolbar.
2 Select the check box of each toolbar you want to view.

The toolbars that are checked are those that appear by default.
See Using Toolbars for more information on using the toolbars.

16-4 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 Moving Toolbars Toolbars can be positioned elsewhere in the window. To do this:
1 Click and hold down the mouse button on the edge of the
toolbar you wish to move.
2 Drag the toolbar to the desired location, which can be either:
• On any edge (top, bottom, or sides) of the Aspen Plus
window
• In the center of the window

Specifying Default Options

There are various options you can set as defaults. To do this:
• From the Tools menu, click Options.
The Options dialog box appears.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-5
 This table shows which tab to use:
To Use this tab
Specify general options such as the default method General
to save documents and if inline Fortran is checked
for syntax errors
Specify the databank search order Component Data
Select what information is included when Global Results View
Data is displayed
Select run options for interactive runs and Run
specifications for a remote server
Specify startup options for a new flowsheet such as Startup
Run Type, application template, and working
directory
Control various naming, display and placement Flowsheet
options on the process flowsheet
Set and display the grid and scale on the process Grid/Scale
flowsheet window
Specify the default fonts, grid style, line style, Plots
marker size, and time stamp components used when
creating plots.
Select if a legend and time stamp are displayed by
default.
Specify line style options for various line types Styles
Specify an online problem id Online
Specify default options for opening files from older Upward
versions of Aspen Plus Compatibility
Using the General From the Tools menu, click Options, then click General. The
Tab General tab is used to specify general options related to running
simulations, saving Aspen Plus documents, and making OLE links
between an Aspen Plus run and another application.

16-6 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 The following parameters are available on the Tools Options
General tab:
Use this To Saved with
box Simulation?
Allow run Allow a run only when input is complete Yes
only when Turning off this option allows you to initiate an interactive or batch run even if
input is the status in the toolbar is not Required Input Complete.
complete
This option is primarily for advanced users who are familiar with keyword
input language.
Check inline Check inline Fortran for syntax errors Yes
Fortran for When this option is checked, basic Fortran syntax error checking is done on all
syntax errors the Fortran and Declarations sheets. This option sometimes needs to be turned
off when advanced Fortran is used.
Accounting Allow a run only when accounting information has been completed. No
information When this option is checked, you are required to specify accounting
required to information on the Setup Specifications Accounting sheet. The accounting
complete information includes an account number, a project ID, a project name, and a
input user name. This is stored for the run by the Aspen Plus Accounting System, if
it is active for your installation.
Always Always create backup copy. No
create When this option is checked, an Aspen Plus backup format file (*.bkp) is
backup copy created whenever an Aspen Plus document file (*.apw) is saved. This is used
as an additional backup safety mechanism. The document file (*.apw) allows
you to quickly restart previously saved simulation, using a binary file. The
backup file (*.bkp) stores the same run information in a condensed ASCII file.
Save Specify the default method to save documents. No
Aspen Plus Saving documents as document files (*.apw) allows you to quickly restart
documents previously saved simulation, using a binary file. Saving as backup files (*.bkp)
as stores the same run information in a condensed ASCII file.
Copy buffer Specify what information is included when a cell is copied into the copy Yes
format buffer.
Every variable, when copied for OLE links, occurs with four attributes: Value,
Units, Label, and Basis. You can set the default attributes here, or you can
specify the attributes you need, from the Edit menu by clicking Copy with
Format.
Pro/II Input Select this box to always retain the block data information which Aspen Plus is No
Conversion capable of mapping from the Pro/II input file to Aspen Plus block variables. If
Option this box is cleared, Aspen Plus only creates the flowsheet and does not attempt
to specify data in blocks.
See also Converting Pro/II Input Files.
Time Stamp Specify what information is included on a time stamp and whether the time Yes
stamp is automatically updated.
The Time Stamp dialog box allows you to modify the default time stamp
information (time, date, username, runid, and A+ version) for the order of the
elements and for which elements are included in the time stamp. You can also
select whether to have the time stamp aupdate automatically.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-7
 Using the Component Use the Component Data tab to:
Data Tab • Change the databanks search order
• Choose which databanks are searched
• Copy regression and estimation results onto Parameters forms
• Generate input language using component name or component
alias
Changing Databanks The order in which the pure and binary components databanks are
Search Order searched can be changed using the Tools Options Components
Data dialog box.
To change the pure and binary component databank search order:
1 From the Tools menu, click Options.
2 Click the Component Data tab.
3 In the Searched list, click the databank that you want to
reorder.
4 Click the up or down arrow to reorder the databank.

The databank at the top of the list is searched first. The data found
first for a component or a component pair is the data that is used in
the simulation.
About the Pure This specifies which purecomponent databanks Aspen Plus will
Component Databank search and the search order for all simulations.
Search Order
The order in which the databanks are listed is the order in which
Aspen Plus searches for data. For a specific simulation run, you
may change the list and order on the Components Specifications
Databanks sheet.
About the Binary This specifies which binary parameter databanks Aspen Plus will
Databank Search Order search and the search order for all simulations.
The order in which the databanks are listed is the order in which
Aspen Plus searches for data. These databanks contain:
• Binary parameters for equation of state models.
• Binary parameters for Wilson, NRTL, and UNIQUAC models.
• Henry’s law constants.
• Binary and pair parameters for electrolyte NRTL models.
For a specific parameter in a particular run, you may change the
list and order on the Properties Parameters Binary Interaction and
the Properties Parameters Electrolyte Pair folders.

16-8 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 To move a databank to the Searched list:
Choosing Which
Databanks are Searched 1 Click the databank you wish to move.
2 Click the right arrow to move the databank to the Searched list.
To move a databank from the Searched list:
1 Click the databank you wish to move.
2 Click the left arrow to move the databank to the Not Searched
list.
To move all of the databanks at once from one list to the other:
1 Click the appropriate double arrow.

2 Reorder the databanks using .

Example of Reordering
Databanks

For pure component data, the PURE11 databank is searched first,

the AQUEOUS databank is searched second and then, the SOLIDS
and INORGANIC databanks are searched, in that order.
The AQU92, ASPENPCD, COMBUST, ETHLYENE, PURE10,
and PURE856 databanks are not searched at all.
For binary data, the ENRTL-RK databank is searched followed by
the VLE-IG, VLE-RK, VLE-HOC, LLE-LIT and LLE-ASPEN
databanks.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-9
 Copying Regression and You can retrieve regression or estimation parameter results and
Estimation Results display them on the Parameters forms. To do this:
• On the Components Data tab, check the Copy regression and
estimation results onto Parameters forms box.
The parameters will be used in all subsequent runs.
When this check box is clear, the parameters are available on the
appropriate Physical Properties Parameters form, using the drop
down list, but are not displayed on the forms. The parameters will
not be used in subsequent runs.
Changing Defaults for You can use the Components Data tab to select whether you
Generating Input generate input language using Component name or Component
Language alias.
Use the Formula column (up to 12 characters) or the Component
Name column (up to 32 characters) on the Components
Specifications Selection sheet to generate the COMPONENTS
paragraph in the Aspen Plus input file.

16-10 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 The Tools Options Results View tab includes options for
Using the Results
displaying global results information on the process flowsheet. The
View Tab
data for the selected options appear on the flowsheet when the
View menu Global Data option is enabled.
The following parameters are available on the Results View tab
Use this box To Saved with
simulation?
Output units of Select the units of measure for the global data output. No
measurement
Heat/Work Specify the display of block heat or work variable results (if available) Yes
variables on the flowsheet, when the view global data menu option is enabled.
Use the Format box to specify the variable format.
Temperature Specify the display of stream temperature results (if available) on the Yes
flowsheet, when the view global data menu option is enabled.
Use the Format box to specify the variable format.
Pressure Specify the display of stream pressure results (if available) on the Yes
flowsheet, when the view global data menu option is enabled.
Use the Format box to specify the variable format.
Vapor fraction Specify the display of stream vapor fraction results (if available), when Yes
the view global data menu option is enabled.
Use the Format box to specify the variable format.
Duty/Power Specify the display of stream duty or power results (if available for Yes
heat/work streams), when the view global data menu option is enabled.
Use the Format box to specify the variable format.
Mole flow rate Specify the display of stream molar flow rate results (if available), when Yes
the view global data menu option is enabled.
Use the Format box to specify the variable format.
Mass flow rate Specify the display of stream mass flow rate results (if available), when Yes
the view global data menu option is enabled.
Use the Format box to specify the variable format.
Volume flow Specify the display of stream volume flow rate results (if available), Yes
rate when the view global data menu option is enabled.
Use the Format box to specify the variable format.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-11
 Format for Numbers You can control the format of global data on the process flowsheet
window. There are three conversion formats:
• %-[Link]
• %-[Link]
• %-[Link]
This table explains the variables:
Variable Explanation
% Percent character. Lead character for format specification.
- Optional minus sign, which left-justifies the number. Without the minus
sign, the number is right-justified.
Xx A digit string specifying a minimum field length for the converted
number. The number takes at least this much space to print, and more if
necessary.
Yy A digit string specifying the precision, (that is, the number of digits) to
be printed to the right of the decimal point.
E Number is converted to the form [-][Link][+]cc. Length of b is
specified by yy (Default is 6). Use upper case E in the format
specification for upper case E in the printed numbers.
f Number is converted to the form [-][Link]. Length of b is specified
by yy (Default is 6).
G The shorter of %e or %f is used. Use upper case G in the format
specification for upper case G in the printed numbers.
The recommended format is %0.f which prints whole numbers.
Other common formats used in stream tables are:
Format Explanation
%10.0f Whole numbers, with no decimal digits or exponents.
%[Link] Numbers without exponents and with n digits to the right of the decimal
point, if space permits. Decimal points line up, unless decimal digits
have been eliminated in some numbers.

16-12 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 Use the Tools Options Flowsheet tab to set various naming,
Using the Flowsheet
display, and placement options on the Process Flowsheet.
Tab
The following parameters are available on this tab:
Use this box To Saved with
simulation?
Automatically Have blocks automatically assigned a name beginning with the specified Yes
Assign Block character string. For example, if B is entered, the blocks will be named B1,
Name with B2, B3, etc.
Prefix When this option is off, Aspen Plus will prompt you to enter an ID each time
a block is created.
Display Block Have future block names displayed with the icon on the Process Flowsheet. Yes
Name To see how to hide or display the ID for an existing block see Hiding a Block
or Stream ID..
Automatically Have streams automatically assigned a name beginning with the specified Yes
Assign Stream character string. When this option is off, then Aspen Plus will prompt you to
Name with enter an ID each time a stream is created.
Prefix
Display Have future stream names displayed on the streams in the Process Flowsheet. Yes
Stream Name To see how to hide or display the ID for an existing stream see Hiding a
Block or Stream ID.
Automatically Automatically place blocks when importing a flowsheet Yes
Place Blocks Use this option to specify whether or not Aspen Plus automatically places
When any new blocks when you import an Aspen Plus backup file that does not
Importing contain graphics layout information.
When this option is off, the Unplaced Blocks menu appears showing blocks
that are not in the process flowsheet. You can later place these blocks
automatically or manually. Blocks and streams already in the drawing and
whose connectivity has not changed are not affected by this option.
For more information on placing and unplacing blocks, see Using Place and
Unplace to Redraw the Flowsheet.
Lock Block Lock the block spacing factor at a specified value. A spacing factor of 2.5 is No
Spacing Factor generally appropriate for flowsheets drawn with the block icons. For
at flowsheets drawn with pictorial icons, a factor of 1.5 is often better.
Label Size Control the size of block and stream IDs for printing. Yes
Scale Factor When Global Data is on, this factor also controls the size of the displayed
global data values and legend box.
This is a relative factor. Use a larger value for larger IDs and global data
values. A factor between 2-3 is generally appropriate when printing
relatively large flowsheets.
Display Specify whether to display connection streams on the flowsheet. No
connection
streams
Display Specify whether to display measurements on the flowsheet. No
measurements You can select to display measurements for: all blocks and connections, only
blocks and single connections, all blocks while hiding multiple connections,
and all blocks while hiding all connections.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-13
 Use the Tools Options Grid/Scale tab to set and display the grid
Using the Grid/Scale
and scale on the process flowsheet window.
Tab
The following parameters are available on the Grid/Scale tab:
Use this To Saved with
box simulation?
Show Scale Display a scale at the top and left of the process flowsheet window Yes
Show Grid Display the grid in the process flowsheet window. The grid lines can help Yes
you position objects, especially graphics and text objects.
Note For the grid to be displayed, you must be zoomed in enough for the
grid points to be distinguishable.
Snap to Align objects in the process flowsheet window to the grid when they are No
Grid placed, moved, or resized
Grid Size Specify the interval between grid points. Yes
When Snap to grid is on, inserted graphic objects are snapped to the grid
lines.
If you are zoomed in, you may want to decrease the grid resolution factor to
position objects precisely.
The grid sizes to choose from are 0.2, 0.1, 0.05, 0.025, 0.0125
Zoom Scale Set the degree for zooming in or out on the process flowsheet. No
Factor Values range from 1.0 to 10.0. A value of 10.0 will zoom out in greater
increments than a value of 1.0.
Scroll Step Set the percentage for scroll bar stepping. No
Size Scroll step affects only the scroll bars for the process flowsheet.
A scroll bar step is the amount that the screen scrolls with one
mouse click a scroll bar arrow.
Using the Plots Tab Use the Tools Options Plots tab to specify the default fonts, grid
style, line style, and marker size used when creating plots. This tab
is also used to select if a legend and time stamp are displayed by
default.
The following parameters are available on the Tools Options Plots
tab:
Use this box To Saved with
simulation
Default Fonts Change the default font for the Title, Axis label, Axis scale, No
Annotation, and Legend
Grid Style Define the type of grid for the plot. Mesh, Horizontal, Vertical, or No
No grid can be selected.
Line Style Select the line style for the data curves. Lines & markers, Lines, or No
Markers can be selected.
Marker Size Select the size for the markers. Values from 1-20 can be selected. No
Show Legend Show a legend No
Show Time Stamp Show a time stamp No

16-14 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 Use the Tools Options Run tab to select run options for interactive
Using the Run Tab
runs and specifications for a remote server.
The following parameters are available on the Tools Options Run
tab:
Use this box To Saved with
Simulation
Express Run Use Express Run for maximum simulation speed when you run the Yes
Aspen Plus simulation engine on a PC, or interactively on other
platforms.
Express Run turns flowsheet animation off, and changes the Control
Panel (terminal) message levels to 0.
You can change the Control Panel message levels on the Setup
Specifications Diagnostics sheet.
If you change the Control Panel message levels on this sheet, and then
turn on Express Run, Aspen Plus will not save the values you entered.
When you turn Express Run off, all Control Panel message levels are set
to 4.
Interactively Load results only for objects you select in an interactive run Yes
Load Results When Interactively Load Results is off, Aspen Plus loads all simulation
results into the Graphical User Interface at the end of the simulation.
Interactively Load Results speeds up processing time by only loading the
results you are interested in. It is useful if you run a simulation several
times, but are only interested in the results on a few particular forms.
When Interactively Load Results is on, you can still load all results using
Check Results from the Run menu.
Interactively Load Results only works with the Flowsheet Run type.
Animate Highlight blocks as they are executed during an interactive run Yes
Flowsheet Turning animation off can sometimes result in a slight increase in
During simulation speed.
Calculations
Edit Keyword Edit the input language file before beginning an interactive run No
Input Before Aspen Plus displays the generated input language file in your editor
Starting before starting interactive calculations. This gives you a chance to make
Calculations small modifications or additions to the file, or to diagnose problems.
These modifications will not be reflected on the input forms.
This feature is intended for advanced users who are familiar with
keyword input language.
Server Type Specify the Server type for running the Simulation Engine on a remote No
server.
Server Name Specify the name of the remote server. No
Username Specify the Username for the account on the remote server. No
Working Specify the working directory on the remote server. No
Directory

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-15
 Using the Startup Tab Use the Tools Options Startup tab to specify startup options for a
new flowsheet.
The following parameters are available on the Tools Options
Startup tab:
Use this box To
Run Type Select the default startup Run Type.
Application Template Select the default application template
Default Working Directory Select the default working directory for Aspen Plus simulation runs. All new
files will be created in the specified working directory.
This does not affect any existing files that you open - all the run files,
including temporary ones, will be created in the directory where the file is.
Default template directory Select which tab of the Templates dialog box is the default displayed when
selecting a template to use to begin the creation of a new Aspen Plus
simulation.
Favorite working directory
Select which directory the favorites button ( ) jumps to.
More files starts with Select which directory "More Files" starts in when this option is selected
from the initial new/open simulation screen when Aspen Plus is starting up.
Enable forms for layered Enable the forms for Aspen Plus layered products
products The forms for Aspen Dynamics, BatchFrac, RateFrac, Aspen Pinch, and
Polymers Plus can be enabled.
These options are not available for layered products that are not installed.
When the Aspen Pinch checkbox † is selected, Aspen Plus calculates mixture
properties for Aspen Pinch when there are multiple feeds to a block.
Text Editor Select the default text editor
Specify the text editor to use for editing ASCII files that are obtained from
the View Input Summary, History and Report commands from the View
menu.
Print Text File Command Select the command used to print
† When the Aspen Pinch checkbox is selected, Aspen Plus
calculates mixture properties when there are multiple feeds to a
block. Then Aspen Pinch will use these mixture properties rather
than mixing the streams itself. This option is useful when you have
distillation models with interheaters or intercoolers or feeds to
condensers or reboilers and the heating or cooling curve is non-
linear. This option can also be used if there are stream mixing
(flash) problems in Aspen Pinch. The results are available only in
the Variable Explorer; they are not included in the normal
simulation results.
Using the Styles Tab Use the Styles tab of the Tools | Options dialog box to set line and
icon styles in Aspen Plus.
For each type of line (material stream, heat stream, work stream,
measurement, and connection) you can choose a color, line style,

16-16 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 and terminator. The terminator is a letter that appears near the end
of the line to indicate its type, such as W for work streams.
You can also choose whether Aspen Plus should use 3D icons for
flowsheet blocks.
Using the Online Tab Use the Online tab to specify an online problem ID.
Using the Upward Use the Upward Compatibility tab to set the default options for
Compatibility Tab opening and importing backup files created with previous versions
of Aspen Plus or created with the Simulation Engine.
You can also specify whether Aspen Plus should display the
Upward Compatibility dialog box when opening such backup files.

Using the Window Menu

The following parameters are available on the Window menu:
Use this To
option
Cascade Create a cascade of all of the open windows
Tile Tile all of the open windows
Arrange Icons Arrange the icons of any minimized windows
Normal Display the Process Flowsheet in a normal window. The Process
Flowsheet window can be moved, brought to the top and minimized.
Workbook Select if the Windows are displayed using Workbook mode.
Mode Workbook mode can only be used if Flowsheet as Wallpaper is off.
Flowsheet as Always keep the flowsheet fully open at the back of the program
Wallpaper window.
Flowsheet as Wallpaper can only be used if Workbook Mode is off.
Using Workbook Use Workbook mode to help organize all of your open windows.
Mode In Workbook mode, each window has a tab that appears at the
bottom of the screen. This makes it easy to see which windows are
open.
To use Workbook mode:
• From the Window menu, click Workbook Mode.
To make the desired window current:
• Click the appropriate tab at the bottom of your screen.

Tip: You can also select any visible part of a window behind the
current window by clicking it.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-17
 Customizing Application Template
Files
An Application Template file contains simulation defaults
commonly used by specific industries or companies. You can
select an Application Template when you create a new run. You
can use and modify a built-in file, or you can create your own
Application Template files.
Use the built-in Application Templates as a guide when creating
your own customized Application Template files.
There is no limit to the amount of information that can be included
in a template: setup information, components, unit sets, property
specifications, and even unit operation models can all be saved in a
template if desired. Too much information may be inconvenient;
however, objects or specifications in a template can be deleted if
they are not needed in a simulation.
If you want to customize the stream summary format, you will
need to create or modify a TFF file.

Note: Application Template files are not intended for problem

specifications, such as when you want to save defaults or partial
specifications for a particular process or unit. In such cases, create
a backup file or an insert instead of an Application Template file.

Saving a Template File To save an Aspen Plus template file:

1 From the File menu, select Save As.
2 Select Aspen Plus Templates (*.apt) from the Save as Type list.
3 Select the directory and enter a filename. The file can be in any
directory.
4 Click Save.

Tip: If you save your customized templates in a folder inside the

Templates folder, they will appear as a separate tab on the New
dialog box.
The format for a Aspen Plus template file is the same as for a
backup file; therefore, it is possible to create a template from a
backup file by simply changing the extension from .bkp to .apt.

Importing a Template File To import an Aspen Plus template file:

1 From the File menu, select Import.
2 Select Aspen Plus Template (*.apt) from the Files of Type list.
3 Select the directory and enter a filename. The file can be in any
directory.

16-18 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 4 Click Open.
5 If the Resolve ID Conflict dialog box appears, there are objects
that have the same ID as objects in the current run.

About User Model Libraries

Aspen Plus has the ability to create custom templates in user model
libraries. These libraries, which are stored as .apm files, allow you
to add custom models to the Model Library displayed in Aspen
Plus, which may include multiple blocks, streams, block and
stream specifications, components, flowsheeting options like
Design-Spec and Fortran blocks, and almost any other Aspen Plus
feature. PFD diagrams, stream routing information, embedded
objects, embedded links, and custom user graphics drawn on the
process flowsheet are not saved in .apm files when they are first
created.
These custom templates may be added to a flowsheet in the same
manner as any other block. If a template contains anything besides
a single unit operation model, each instantiation of the model will
appear on the flowsheet within a Hierarchy block. If the custom
template is created with the Multi Record Custom User Model
selection, then a hierarchy block will always be created when a
template is instanced. By default, if you select multiple blocks or
streams and create a template, it will be a Multiple Record
template. When a template is added to the flowsheet, the data is
from the template is copied into the flowsheet, not linked to the
template. Subsequent changes in either the flowsheet or the
template will not affect the other.
Creating and 1 Select New from the Library menu.
Manipulating User 2 Specify a name for the library in the Display Name field.
Libraries
3 Specify a filename for the library, and click the Create button.
To create a new user 4 From the Library menu, select the name of the new library,
library:
then Edit. The Model Library Editor for the new library
appears.
5 From the Categories menu, select New, and enter the name for
the tab for the new category. The new tab appears in the Model
Library Editor.
To change the list of 1 From the Library menu, select References...
referenced libraries: 2 Select the check boxes for libraries you wish to use, and clear
the check boxes for libraries you do not wish to use.
3 To add a library not displayed, click the Browse button and
select the file containing the library.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-19
 4 To reorder the displayed libraries, select the name of a library
you wish to reorder and click either of the Priority buttons.
5 Click OK when done.
6 To save these settings, from the Library menu, select Save
Default.

Tip: Multiple users can share a set of user model templates which
are accessible via a public file server. Each user should perform
this procedure to access the templates.

To modify the From the Library menu, select the name of the library, then Edit.
arrangement of models in The library opens in the Model Library Editor.
user libraries:
Note: The library must be writable in order for you to change it.

• To move a model from one category to another, select the

model, then select Move from the Model menu. Choose the
new category for the model from the dialog box, and click OK.
• To copy a model to another user library, select the model, then
select Copy to User Library from the Model menu. See Adding
Models to User Model Libraries for more information.
• To add a new category, select New from the Category menu,
then enter a name for the new category.
• To delete a category, select its tab, then select Delete from the
Category menu. Any models in that category will be moved to
the Uncategorized category.
• To save a modified user library, from the Library menu, select
the name of the library, then Save.
To check or change the From the Library menu, select the name of the library. In the
writable status of a user submenu, Writable will be checked if the library is currently
library: writable. Select Writable to change the writable status.
To add or remove 1 From the Library menu, select Palette Categories...
categories from the 2 Select the check boxes for categories you wish to display, and
display in the Model clear the check boxes for categories you do not wish to display.
Library:
3 To reorder the displayed categories, select the name of a
category you wish to reorder and click either of the Priority
buttons.
4 Click OK when done.
5 To save these settings, from the Library menu, select Save
Default.
Adding Models to To add a new model to a user library:
User Model Libraries 1 Define the blocks, streams, and other items for the new model.

16-20 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 2 Ensure that the library is referenced and writable.
3 Select the model(s) from the process flowsheet to add to the
library.
4 From the Library menu, select Add Block. The User Model
Library Wizard appears. Click Next.

5 If there is more than one writable user library, select one and
click Next. If there is only one writable library, you will not see
this screen.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-21
 6 Choose a category for the new model. These categories are the
tabs that appear in the Model Library. To create a new
category, click the Create New Category button, enter a name,
and click OK. Select the category and click Next.

7 Select whether the block will be a Single or Multiple record

template.

16-22 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 8 Type a name for the new model. In some cases additional
options related to icons and user models may be available.

9 If you chose to create a single record template, click Finish.

Otherwise, click Next and choose which objects to include in
the new model. You may choose to delete any unwanted items
or to add items which are referenced by items currently
selected. Items with gray boxes may not be included in
templates. Click Finish when done.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-23
 10 The new model should appear in its own category in the Model
Library.

To edit the contents of a 1 Start new simulations, select More Files….

model in a user library as 2 In the File Types field, select Aspen Plus User Model Libraries
an Aspen Plus (*.apm).
simulation:
3 Select the template you wish to edit. The model opens as an
Aspen Plus simulation.
4 Make the desired changes in the model.
5 From the File menu, choose Save. The updated model is saved
to the user library.
To add models and 1 Define the blocks, streams, and other items to append to the
streams to a model in a library.
user library incrementally: 2 Ensure that the library is referenced and writable.
3 Select the model(s) from the process flowsheet to add to the
library or select the record from the databrowser and select
Append to Template….
4 The User Model Library Wizard appears. Click Next.

5 Choose a custom model type to append record(s) to and click

Next.

16-24 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 6 Choose which objects to include in the new model. You may
choose to delete any unwanted items or to add items which are
referenced by items currently selected. Click Finish when done.

Changing Icons for You can add custom icons to the models in user model libraries.
Models in User To add, change, and delete icons for a model in a user library:
Libraries
1 Open the user library for editing.
2 Select the model in the Model Library Editor.
3 From the Model menu, select New Icon to open the Icon
Editor to create a new icon for this model.

Aspen Plus 11.1 User Guide Customizing Your Aspen Plus Environment • 16-25
 4 If more than one icon exists for the model, click the arrow to
the left of the model’s current icon on the Model Library Editor
to change the currently-selected icon.
5 From the Model menu, select Edit Current Icon to open the
Icon Editor to change the currently-selected icon.
6 From the Model menu, select Delete Current Icon to delete
the currently-selected icon. If the model has only one icon, that
icon cannot be deleted.
Using the Icon Editor In the Icon Editor, use the drawing toolbar to add text, lines,
rectangles, arbitrary polygons, circles, and arcs to the icon by
clicking on the appropriate drawing tool and clicking in the
drawing area to specify the location and size of the drawing
objects. The list on the left side of the Icon Editor includes all the
defined ports for the block. Click one of these and click on the
drawing area to associate the port with a specific location on the
icon.
You can also select objects already present in the drawing area and
drag them around, or resize them using their resize handles, or
delete them by pressing the Delete key.

There are also three special objects which are always pre-defined
in the icon editor. The green cross enclosed in a diamond is used to
indicate the default location for the block name. The two blue
arrows are universal feed and product ports. These ports represent
feed and product ports which are not otherwise specified for the
block. If you cannot locate these objects, from the View menu of
the main Aspen Plus window, select Zoom, then Zoom Full.
When you are satisfied with the icon’s appearance, or if you would
like to undo your changes, close the Icon Editor. Aspen Plus will
ask whether to save your changes.

16-26 • Customizing Your Aspen Plus Environment Aspen Plus 11.1 User Guide
 C H A P T E R 17

Convergence

Overview
This chapter contains information about sequential-modular
convergence and equation-oriented convergence.

SM Convergence
This section includes the following topics about convergence:
• Flowsheet recycles and design specifications
• Convergence Options
• Specifying tear streams
• User-defined convergence blocks
• Convergence Methods
• User-defined convergence order
• Specifying the calculation sequence
• Initial guesses
• Flowsheet sequencing
• Checking results
• Control panel messages
• Strategies for flowsheet convergence

Aspen Plus 11.1 User Guide Convergence • 17-1

 Flowsheet Recycles and Design
Specifications
Using the sequential-modular (SM) strategy, Aspen Plus performs
flowsheet calculations by:
• Executing each unit operation block in sequence
• Using the calculated output streams of each block as feed to the
next block
Flowsheets with recycle loops, design specifications, or
optimization problems must be solved iteratively. Execution
requires that:
• Tear streams are chosen. A tear stream is a recycle stream with
component flows, total mole flow, pressure, and enthalpy all
determined by iteration. It can be any stream in a loop.
• Convergence blocks are defined to converge the tear streams,
design specifications, or optimization problems. Convergence
blocks determine how guesses for a tear stream or design
specification manipulated variable are updated from iteration to
iteration.
• A sequence is determined, which includes all of the unit
operation and convergence blocks.
If you do not specify the tear streams, convergence blocks, or
sequence, Aspen Plus determines them automatically. Every
design specification and tear stream has an associated convergence
block. The Aspen Plus generated convergence block names begin
with the character "$". User-defined convergence blocks should
not begin with the character "$".
Aspen Plus automatically determines any additional specifications
needed to execute the flowsheet. By default, Aspen Plus also
checks the user-specified sequences to ensure that all loops are
torn.

17-2 • Convergence Aspen Plus 11.1 User Guide

 Convergence specifications you can make are:
To specify Use this Convergence form For details see
Convergence parameters and/or methods Conv Options Convergence Options
for convergence blocks
Some or all of the tear streams needed for Tear Specifying Tear Streams
system-generated convergence blocks
Some or all of the convergence blocks Convergence Specifying User-Defined
needed Convergence Blocks
Convergence order for some or all of the Conv Order Specifying Convergence
user-defined convergence blocks Order
Sequence for all or part of a flowsheet Sequence Specifying the Calculation
Sequence

Convergence Options
Use the Convergence ConvOptions sheets to specify the following
for convergence blocks:
• Tear Convergence tolerance
• Convergence methods for tear streams, design specifications,
and optimization problems used in convergence blocks
generated by Aspen Plus
• Parameters that affect sequencing
• Convergence parameters for each method. The specified
parameters are used as defaults for convergence blocks you
define and convergence blocks generated by Aspen Plus.
Specifying Tear A tear stream is converged when the following is true for all tear
Convergence convergence variables:
Parameters
X calculated − X assumed
− tol ≤ ≤ tol
X assumed
For streams, the default convergence variables are total mole flow,
all component mole flows, pressure, and enthalpy. When the Trace
Option is Cutoff (specified on the Convergence Conv Options
Defaults Tear Convergence sheet), Aspen Plus bypasses this
convergence test for components that have a mole fraction less
than the Trace threshold. The default Trace threshold is
Tolerance/100. The alternative trace option, Trace-option =
Gradual, adds a 100*Trace threshold term to the denominator. This
setting gradually relaxes the convergence test for trace
components.
Specifying Tear To specify tear convergence parameters for convergence blocks:
Convergence Parameters
for Convergence Blocks

Aspen Plus 11.1 User Guide Convergence • 17-3

 1 From the Data menu, point to Convergence, then Conv
Options.
2 Click the Tear Convergence sheet.
3 Specify tolerance and other convergence parameters, such as
Trace Threshold and Trace Option.
Using the Tear The following parameters are available on the Tear Convergence
Convergence Sheet sheet:

Field Default To
Tolerance 0.001 Specify Tear convergence tolerance
A tear stream is converged when the following is true for all stream
variables:
X calculated − X assumed
− tol ≤ ≤ tol
X assumed
Trace Tolerance/100 Specify the trace component threshold
Threshold Aspen Plus bypasses this convergence test for components that have a
mole fraction less than the Trace threshold.
Trace Option Cutoff Select the Convergence test option for trace components. Trace option =
Gradual adds 100*TraceThreshold term to the denominator. This setting
gradually relaxes the convergence test for trace components.
Component All components Identify the Component group ID for components to be converged in tear
Group streams
Component groups are defined on the Components Comp-Group form .
Use a component group when you know that some components have
zero or constant flow rates. A Component Group may cause convergence
problems if the unconverged components have significant flow.
Component group specifications are intended primarily for use with the
matrix convergence methods (Broyden, Newton, and SQP) to reduce the
matrix size and the number of numerical derivative perturbations.
State Pressure & Select the State variables to be converged
Enthalpy You can select a State option other than the default (Pressure and
enthalpy) when pressure is known to be constant or enthalpy is not
calculated (mass-balance-only simulations).
State specifications are intended primarily for use with the matrix
convergence methods (Broyden, Newton, and SQP) to reduce the matrix
size and the number of numerical derivative perturbations.
Restore Tears checked Restore tear to last guessed value when there is a convergence error.
on Error

17-4 • Convergence Aspen Plus 11.1 User Guide

Field Default To
Flash Tear checked Flash tear streams after being updated by the convergence block.
Streams Check Flash Tear Streams if you access the temperature, density or
entropy of the tear stream through in-line Fortran or Calculator blocks, or
if you need to see or use intermediate or partial convergence results. Do
not check Flash Tear Streams if you want to save calculation time or if
you do not need intermediate convergence results. Flashing tear streams
is independent of the convergence method, with one exception. If
Chemistry is associated with the tear stream, then the default is not to
flash for tear streams, irrespective of your selection.
Diagnostics Display Specify whether tables of all variables or only the variable with the
Maximum maximum error should be generated
Error /
Tolerance
Specifying Default You can specify the numerical methods to be used by the system-
Methods generated convergence blocks. See Convergence Methods for
information on the numerical methods.
To specify the numerical methods to be used by the system-
generated convergence blocks:
1 From the Data menu, point to Convergence, the Conv Options.
2 Select the Default Methods sheet.
3 You can specify the numerical methods to be used by the
convergence blocks.
The following parameters are available on the Default Methods
sheet:
Field Default To specify the convergence method for system-generated
Tears Wegstein Tear convergence blocks
The other methods available are Direct, Broyden, and Newton.
Single Design Secant Single design-spec convergence blocks
Spec The other methods available are Broyden and Newton.
Multiple Design Broyden Multiple design-spec convergence blocks
Specs The other method available is Newton.
Tears & Design Broyden Combined tears and design-specs convergence blocks
Specs The other method available is Newton.
Optimization SQP Optimization convergence blocks
Specifying You can specify parameters to control tear stream selection and
Sequencing automatic sequencing.
Parameters To specify the tearing and sequencing parameters:
1 From the Data menu, point to Convergence, then Conv
Options.
2 Select the Sequencing sheet.
3 You can specify the tearing and sequencing parameters.

Aspen Plus 11.1 User Guide Convergence • 17-5

 The following parameters are available on the Sequencing sheet:
Field Default To specify
Design Spec Inside Whether design specifications should be nested inside tear stream loops,
Nesting outside tear stream loops, or converged simultaneously with tear streams
Design Spec Nesting does not apply to convergence blocks specified in
the Convergence Order form.
When the tear of an outer loop is recalculated in an inner loop, the actual
sequence generated may not strictly follow the loop-order preference
specified in the Design Spec Nesting and User Nesting fields.
User Nesting Outside User Nesting lets you specify a preference for whether convergence
blocks specified on the Conv Order form should be nested inside or
outside other convergence blocks (user-defined or system-generated)
The User Nesting field has precedence over the Design Spec Nesting
field.
When the tear of an outer loop is recalculated in an inner loop, the actual
sequence generated may not strictly follow the loop-order preference
specified in the Design Spec Nesting and User Nesting fields.
Variable 1 Tear variable weighting factor for tearing algorithm
Weight If Variable Weight is a large number, the tearing algorithm minimizes
the number of torn variables.
Loop Weight 1 Loop weighting factor for tearing algorithm
If Loop Weight is a large number, the tearing algorithm minimizes the
number of loops torn.
Tear Fortran not checked Whether Fortran block variables can be torn when Fortran blocks appear
Export in feedback loops
Variables See Converging Loops Introduced by Calculator Blocks for more
information.
Check checked Whether Aspen Plus checks a user-specified sequence to ensure that all
Sequence loops are torn
Specifying You can specify additional parameters for each numerical method.
Convergence Method Select the appropriate tab for the convergence method. See
Parameters Convergence Methods for information on the numerical methods.
To specify the additional parameters:
1 From the Data menu, point to Convergence, then Conv
Options.
2 In the left pane of the Data Browser window, select the
Methods form.
3 Select the appropriate sheet for the convergence method.
4 Specify the parameters for that method.

17-6 • Convergence Aspen Plus 11.1 User Guide

 Specifying Tear Streams
Use the Tear Specifications sheet to identify tear streams to be
converged by system-generated convergence blocks. If you specify
an incomplete tear set for your flowsheet, Aspen Plus
automatically chooses the remaining set of streams. If you specify
a redundant tear set (too many tear streams), Aspen Plus may
ignore some tears or find an inefficient sequence.
To specify a tear stream:
1 From the Data menu, point to Convergence, then Tear.
2 In the Stream field, use List and select a stream ID.
The stream must be in a recycle loop in the simulation
flowsheet.

Note: When a Calculator block is in a recycle loop, you can tear

variables designated as Export Variables.

3 Specify any of the remaining optional fields, as you choose.

The following parameters are available on the Tear Specifications
sheet:
Field Default To
Tolerance 0.001 Specify Tear convergence tolerance
A tear stream is converged when the following is true for all stream
X calculated − X assumed
− tol ≤ ≤ tol
variables: X assumed

Trace Tolerance/100 Specify the trace component threshold

Aspen Plus bypasses this convergence test for components that have a
mole fraction less than the Trace threshold.
Component All components Identify the Component group ID for components to be converged in tear
Group streams
Component groups are defined on the Components Comp-Group form .
Use a component group when you know that some components have
zero or constant flow rates. A Component Group may cause convergence
problems if the unconverged components have significant flow.
Component group specifications are intended primarily for use with the
matrix convergence methods (Broyden, Newton, and SQP) to reduce the
matrix size and the number of numerical derivative perturbations.
State Pressure & Select the State variables to be converged
Enthalpy You can select a State option other than the default (Pressure and
enthalpy) when pressure is known to be constant or enthalpy is not
calculated (mass-balance-only simulations).
State specifications are intended primarily for use with the matrix
convergence methods (Broyden, Newton, and SQP) to reduce the matrix
size and the number of numerical derivative perturbations.

Aspen Plus 11.1 User Guide Convergence • 17-7

 Initial Estimates for You can use the Stream sheets to provide an initial estimate for the
Tear Streams tear stream. An initial estimate generally aids recycle convergence,
and is sometimes necessary, especially for recycle loops involving
distillation blocks. For more information on specifying streams see
chapter 9, Specifying Streams.

Specifying User-Defined
Convergence Blocks
Use the Convergence sheets to specify convergence method,
tolerance, and convergence variables for user-defined convergence
blocks. System-generated convergence blocks generated by
Aspen Plus do not use these specifications.
To define a convergence block:
1 From the Data menu, point to Convergence, then Convergence.
2 In the Convergence Object Manager click New.
3 In the Create New ID dialog box, enter an ID or accept the
default name.
4 In the Create New ID dialog box, select the type of
convergence block you want to create.
Use this method To converge
BROYDEN or Tear streams; two or more design specifications; or tear streams and design
NEWTON specifications simultaneously. Use when the recycle loops and/or design
specifications are highly interrelated. Use Newton when Broyden is unable to
converge.
COMPLEX Optimization with inequality constraints
DIRECT Tear streams by simple direct substitution. Convergence may be slow, but sure.
SECANT Single design specifications. Recommended for design specification convergence
blocks.
SQP Sequential quadratic programming. Optimization with any combination of tear
streams, equality constraints, and inequality constraints.
WEGSTEIN Tear streams. You can apply Wegstein to any number of streams simultaneously.
Recommended tear stream convergence method.
For more information on the numerical methods, see
Convergence Methods.
5 Click the Tear Streams, Design Specifications, Calculator
Tears or Optimization tab to select the elements that you want
the convergence block to solve.
6 To specify optional parameters, click the Parameters sheet.

17-8 • Convergence Aspen Plus 11.1 User Guide

 Convergence Methods
This topic describes the convergence methods available in
Aspen Plus.
The parameters for each method can be found on the Convergence
ConvOptions Methods form and on the form for the Convergence
block.
The following methods are available:
• WEGSTEIN
• DIRECT
• Secant
• BROYDEN
• NEWTON
• COMPLEX
• SQP
WEGSTEIN Method The classical bounded Wegstein method is usually the quickest and
most reliable method for tear stream convergence. It is an
extrapolation of Direct substitution iteration. Interactions between
variables are ignored; therefore, it does not work well when
variables are strongly coupled.
Wegstein method can only be used for Tear streams. It is the
default method for Aspen Plus tear stream convergence. Apply it
to any number of streams simultaneously. You can control the
Wegstein bounds and the frequency of acceleration.
You can control the Wegstein method by specifying:
Field Default To specify the
Maximum Flowsheet 30 Maximum number of flowsheet
Evaluations evaluations
Wait 1 Number of direct substitution
iterations before the first
acceleration iteration
Consecutive Direct 0 Number of direct substitution
Substitution Steps iterations between acceleration
iterations
Consecutive 1 Number of consecutive acceleration
Acceleration Steps iterations
Lower Bound -5 Minimum value for the Wegstein
acceleration parameter (q)
Upper Bound 0 Maximum value for the Wegstein
acceleration parameter (q)

Aspen Plus 11.1 User Guide Convergence • 17-9

 Wegstein Acceleration You can control the Wegstein method by specifying upper and
Parameter lower limits for:
• Acceleration parameter q (Upper Bound and Lower Bound)
• Number of direct substitution iterations before the first
acceleration (Wait)
• Number of direct substitution iterations between acceleration
iterations (Consecutive Direct Substitution Steps)
• Number of consecutive acceleration iterations (Consecutive
Acceleration Steps).
In the bounded Wegstein method, the acceleration parameter q is
calculated for each tear stream variable as follows:
s
q=
s−1
G ( X k ) − G ( X k − 1)
s=
X k − X k −1

Where:
X = Estimate of the tear stream variable
G(X) = Resulting calculated value of the variable
k = Iteration number
The new estimate calculated by Wegstein is:
X k +1 = qX k + (1 − q )G ( X k )
= X k + (1 − q )(G ( X k ) − X k )

The following shows the effect of q on convergence:

q Convergence
q<0 Acceleration
q=0 Direct substitution
0<q<1 Damping
Because oscillation or divergence can occur if q is unbounded,
limits are set on q. The default lower and upper bounds on q are -5
and 0, respectively. For most flowsheets, these limits work well
and do not need to be changed.
Normally, you should use an Upper Bound of the Wegstein
acceleration parameter of 0. If iterations move the variables slowly
toward convergence, smaller values of the lower bound of the
Wegstein acceleration parameter (perhaps -25 or -50) may give
better results. If oscillation occurs with direct substitution, values
of the lower and upper bounds between 0 and 1 may help.

17-10 • Convergence Aspen Plus 11.1 User Guide

 For direct substitution, the new value of the tear stream variable is
DIRECT Method
the value resulting from the previous flowsheet calculation pass:
X k +1 = G ( X k )

Where:
X = Estimate of tear stream variable
G(X) = Resulting calculated value of the variable
k = Iteration number
With direct substitution, convergence is slow but sure. It is
available for those rare cases where other methods may be
unstable. Direct substitution can also make it easy to identify
convergence problems, such as component build-up in the system.
Direct substitution is equivalent to Wegstein with lower
bound=upper bound=0.
Secant Method Secant is the secant linear approximation method, with higher
order enhancements. You can select a bracketing/interval halving
option. Select this option whenever the function is discontinuous,
non-monotonic, or flat over a region. Bracketing will eliminate the
flat region and switch back to Secant method if possible.
You can use Secant for converging single design specifications.
Secant is the default method for design specification convergence,
and is recommended for user-generated convergence blocks.
You can control the Secant method by specifying:
Field Default To specify
Maximum Flowsheet 30 Maximum number of flowsheet evaluations
Evaluations
Step Size 0.01 Initial step size, as a fraction of range, for the design specification
manipulated variable
Maximum Step Size 1 Maximum step size, as a fraction of range, for the design specification
manipulated variable
X Tolerance 1e-8 Alternative tolerance on the manipulated variable
Iteration stops when the change in the scaled manipulated variable is less
than X Tolerance.
X Final on Error Last Which value of manipulated variable to use as the final value when the
value convergence block encounters an error
Options are Last value, Initial value, Minimum value of function, Lower
bound, and Upper bound.

Aspen Plus 11.1 User Guide Convergence • 17-11

Field Default To specify
Bracket No If the Secant algorithm should switch to a Bracketing algorithm.
Bracketing attempts to find a variable range where the design
specification function changes sign and performs interval halving when
Secant is not making progress.
When Bracket is specified as No, then Bracketing is not used. Since
bracketing may add extra iterations, in some cases, particularly with a
nested secant loop, you might want to specify Bracket as No.
When Bracketing is specified as Yes, Bracketing is tried if the function
is not changing. The Bracket = Yes option is useful for functions that are
flat over a portion of the variable range.
When Bracket is specified as Check Bounds, Bracketing is tried if the
function is not changing or if the Secant algorithm has moved to a
variable bound. The Bracket = Check Bounds option is useful for
functions that are flat over a portion of the variable range. It can also be
useful for non-monotonic functions. This option ensures that if the
Secant algorithm becomes stuck at a variable bound, the other variable
bound will also be tried.
Find Minimum Not Find the minimum function value if bracketing fails to detect a sign
Function Value if checked change.
Bracketing Fails to
Detect a Sign Change

BROYDEN Method The Broyden method is a modification of Broyden’s quasi-Newton

method. The Broyden method is similar to the Newton method, but
it uses approximate linearization. This approximation makes
Broyden faster, but occasionally not as reliable, as the Newton
method.
Use Broyden to converge tear streams, two or more design
specifications, or tear streams and design specifications
simultaneously. Broyden is useful for multiple tear streams and/or
design specifications, tear variables that are highly interdependent,
or recycle loops and design specifications so interrelated that
nesting is impractical. When converging both tear streams and
design specifications, you can specify that tear streams be
converged or partially converged first. The simultaneous
convergence of both tear streams and design specifications then
follows.

17-12 • Convergence Aspen Plus 11.1 User Guide

 You can control the Broyden method by specifying:
Field Default To specify
Maximum Flowsheet 30 Maximum number of flowsheet evaluations
Evaluations
X Tolerance 0.001 Alternative tolerance on the manipulated variables
The iteration stops when the change in the scaled manipulated variable is
less than X Tolerance
Wait 2 Number of direct substitution iterations before the first acceleration
iteration
You can specify additional parameters to control the Broyden
method on the Advanced Parameters dialog box:
Field Default To specify
Tear Tolerance Tear tolerance. Used if initializing tears by converging tears (to specified
tolerance) before design specifications are included
Tear Tolerance Ratio Tear tolerance ratio. Used if initializing tears by converging tears (to a
tolerance relative to the tear tolerance) before design specifications are
included
Maximum Iterations Maximum number of flowsheet iterations to solve tears before design
specifications are included
Lower Bound -5 Minimum value for the Wegstein acceleration parameter (q)
Upper Bound 0 Maximum value for the Wegstein acceleration parameter (q)

NEWTON Method NEWTON is an implementation of the modified Newton method

for simultaneous nonlinear equations. Derivatives are calculated
only when the rate of convergence is not satisfactory. The
implementation allows bounds on the variables, and includes a line
search for improved stability. NEWTON is useful when the recycle
loops and/or design specifications are highly interrelated, but
convergence is not achieved using the Broyden method. Numerical
derivatives are calculated frequently. Use NEWTON for tear
streams only when the number of components is small or when
convergence cannot be achieved by the other methods. When
converging both tear streams and design specifications, you can
specify that tear streams be converged or partially converged first.
The simultaneous convergence of both tear streams and design
specifications then follows.
When you use the Newton or Broyden methods to converge design
specifications, and one or more manipulated variables have
reached their lower or upper limits, a solution is found that
minimizes the sum of squares of design specification and tear
stream errors, divided by their tolerances. Iterations stop when the
root mean square of the changes in the scaled manipulated
variables is less than X tolerance. Aspen Plus scales each

Aspen Plus 11.1 User Guide Convergence • 17-13

 manipulated variable, dividing it by the absolute value of the lower
or upper limit, whichever is larger.
You can control the Newton method by specifying:
Field Default To specify
Maximum Newton 30 Maximum number of Newton iterations
Iterations
Maximum Flowsheet 9999 Maximum number of flowsheet evaluations
Evaluations
Wait 2 Number of direct substitution iterations before the first acceleration
iteration
X Tolerance 0.0001 Alternative tolerance on the manipulated variables
The iteration stops when the change in the scaled manipulated variable is
less than X Tolerance
Reduction Factor 0.2 Reduction factor which determines the number of Newton iterations used
before calculating a new Jacobian (derivative) matrix
With this option, the Jacobian is reused as long as it continues to
decrease the error each iteration by the Reduction Factor
Iterations to Reuse Number of iterations to reuse the Jacobian (derivative) matrix
Jacobian With this option, the Jacobian is reused a set number of times
The default is to base the reuse of the Jacobian on the Reduction Factor
You can specify additional parameters to control the Newton
method on the Advanced Parameters dialog box:
Field Default To specify
Tear Tolerance Tear tolerance. Used if initializing tears by converging tears (to specified
tolerance) before design specifications are included
Tear Tolerance Ratio Tear tolerance ratio. Used if initializing tears by converging tears (to a
tolerance relative to the tear tolerance) before design specifications are
included
Maximum Iterations Maximum number of flowsheet iterations to solve tears before design
specifications are included
Lower Bound -5 Minimum value for the Wegstein acceleration parameter (q)
Upper Bound 0 Maximum value for the Wegstein acceleration parameter (q)

COMPLEX Method You can use the Complex method to converge optimization
problems with bounds on the manipulated variables and inequality
constraints. COMPLEX is a direct search method; it does not
require numerical derivatives. It may be useful for simple problems
without recycle loops or equality constraints (design
specifications).
SQP Method You can use the state-of-the-art sequential quadratic programming
(SQP) method for flowsheet optimization for simultaneous
convergence of optimization problems with constraints (equality or

17-14 • Convergence Aspen Plus 11.1 User Guide

 inequality) and/or tear streams. The algorithm generally follows an
infeasible path (constraints and tear streams are converged
simultaneously with the optimization problem). But you can adjust
it to follow a feasible path (converging the tear streams at each
iteration of the optimization). SQP is used for system-generated
optimization convergence blocks. SQP is recommended for
user-generated convergence blocks.
SQP-Biegler† is an SQP implementation developed by Professor
L. Biegler of Carnegie-Mellon University and his students.
You can control the SQP method by specifying:
Field Default To specify
Maximum 30 Maximum number of SQP optimization iterations
Optimization
Iterations
Maximum Flowsheet 9999 Maximum number of flowsheet evaluations
Evaluations Each perturbation step for numerical derivatives is counted as one
evaluation.
Additional Iterations 2 Number of additional iterations when constraints are not satisfied after
when Constraints are the convergence test is satisfied.
not Satisfied
Iterations to 3 Number of iterations to take toward converging tears at each iteration of
Converge Tears for the optimization
Each Optimization
Iteration
Iterations to Enforce 3 Number of iterations to enforce maximum step size on the manipulated
Maximum Step Size variables
Tolerance 0.001 Optimization convergence tolerance
Wait 1 Number of direct substitution iterations before the first acceleration
iteration
Lower Bound -5 Minimum value for the Wegstein acceleration parameter (q)
Upper Bound 0 Maximum value for the Wegstein acceleration parameter (q)
† Biegler, L.T. and J.E. Cuthrell, "Improved Infeasible Path
Optimization for Sequential Modular Simulators, Part II: The
Optimization Algorithm," Computers & Chemical Engineering 9,
3, p. 257 (1985).
Lang, Y-D and L.T. Biegler, "A Unified Algorithm for Flowsheet
Optimization," Computers and Chemical Engineering 11, 2, p. 143
(1987).
SQP Wegstein When the SQP method is used to converge tears and optimization
Acceleration Parameters problems simultaneously, the algorithm is a hybrid of an infeasible
path method (where the tears are not converged at each iteration
but are converged at the optimum) and a feasible path method
(where the tears are converged at each iteration of the

Aspen Plus 11.1 User Guide Convergence • 17-15

 optimization). You may control the degree to which the tears are
converged by specifying the number of iterations to take toward
converging the tears (Iterations To Converge Tears Each
Optimization Iteration) and upper and lower limits for the
Wegstein acceleration parameter for the Wegstein iterations
(Upper Bound, Lower Bound).

Specifying Convergence Order

You can specify the calculation order of convergence blocks you
define if you use more than one user-defined convergence block.
Specify the convergence order on the ConvOrder Specification or
Sequence Specifications sheet.
To define a convergence order:
1 From the Data menu, point to Convergence, then Conv Order.
2 Select a block from the Available Blocks list. Use the arrow to
move the block that you want converged first to the top of the
Convergence Order list.
3 Select any other blocks that you want in the order and move
them to the Convergence Order list. You can use the up and
down arrows to rearrange the order within the list. The first
convergence block is converged first and nested most deeply.

Specifying the Calculation Sequence

You can define the calculation order for all or part of the
flowsheet. You supply an ID for each sequence.
To define a sequence:
1 From the Data menu, point to Convergence, then Sequence.
2 In the Object Manager click the New button.
3 In the Create New ID dialog box, enter an ID or accept the
default ID and click OK.
4 Specify the calculation sequence on the Specifications sheet.
On each row of the sheet, you can enter one of the following:
• The beginning of a loop
• The end of a loop
• A block ID
• A sequence ID for part of a flowsheet

17-16 • Convergence Aspen Plus 11.1 User Guide

 For the beginning and end of a loop, specify Begin or Return To in
the Loop-Return field. Specify the block type in the Block Type
field. The following blocks begin loops:
• Convergence
• Sensitivity
• Data Fit
Calculator blocks can introduce loops only for the special case of
loop control Calculator blocks.
Specify the block type and block ID for the following block types:
• Unit operation
• Equipment
• Utility
• Transfer
• Calculator
• Balance
• Pres-Relief
For economic calculations, specify Economic for block type. There
is no block ID for economic calculations.
Within a sequence you can insert a subset of the flowsheet that
already has an ID and a defined sequence. For large flowsheets it is
useful to build up the sequence specification in this manner.
Specify Sequence in the Block Type field. Specify the sequence ID
for the subset in the Block ID field.
Aspen Plus executes the sequences exactly as you enter them, with
these exceptions:
If you Aspen Plus
Check the Check Sequence field Checks whether all loops in a sequence
on the ConvOptions Defaults are torn. If a loop is not torn,
Sequencing sheet Aspen Plus displays an error message
Specify Execute Before or Inserts the Calculator block into your
Execute After in a Calculator sequence
block
Specify a Design-Spec Automatically generates convergence
blocks for design specifications and
inserts them into your sequence

Aspen Plus 11.1 User Guide Convergence • 17-17

 Using Initial Guesses
For many simulations with recycle streams, initial guesses for the
tear streams will help convergence. This is especially true for
recycle systems with closed loops or recirculating solvent loops.
You can often provide a reasonable initial guess from your
knowledge of the process or through a simple mass-balance
calculation.
The sequence is displayed in the left pane of the Control Panel. If
the left pane of the Control Panel is empty, select Step from the
Run menu.
Enter initial compositions and flow rates for the tear streams on
Streams Specification sheets, and run the simulation. Or select
your own tear streams using the Tear sheet, and provide initial
estimates for them.

Flowsheet Sequencing
The tearing and sequencing of a flowsheet is complex and can
require user input. The following information on interacting with
the Aspen Plus sequencing algorithm is intended for advanced
users. It is recommended that other users accept the default
sequencing.
Aspen Plus initially tears and sequences flowsheets in this
sequence:
1 The information flow (incidence matrix) of unit operation
blocks, Calculator blocks, design specifications, constraints,
optimizations, and cost blocks is collected.
2 Sequences you specify are checked for possible missing tears
and are used to generate a reduced incidence matrix. In the
reduced incidence matrix, subsequences you specify are
collapsed and treated as a single block.
3 The reduced incidence matrix is partitioned into independent
subsystems that can be solved sequentially.

17-18 • Convergence Aspen Plus 11.1 User Guide

 4 Tear streams or Calculator block tear variables are determined
for each subsystem, taking user-specified Tear, Tear Variable,
and Convergence specifications into consideration. The
automatic sequencing algorithm in Aspen Plus selects tear
streams by minimizing a weighted combination of the number
of:
• Tear variables
• Times loops are torn
5 An initial sequence is determined as part of the tearing. For
each subsystem, Convergence blocks are created for design
specifications, tear streams, and tear variables that are not
converged by user-specified convergence blocks. Specifying
Design Spec Nesting as Inside on the Convergence
ConvOptions Defaults Sequencing sheet generates one tear
convergence block for all tear streams and tear variables, and
generates an individual design specification convergence block
for each design specification. See Specifying Sequencing
Parameters for more information.
You can affect the automatic sequencing algorithm by:
• Adjusting the Variable Weight and Loop Weight parameters on
the Convergence ConvOptions Defaults Sequencing sheet.
• Specifying initial estimates for possible tear streams on the
Streams forms. The specifications for non-feed streams are
used as initial guesses if possible. Streams with data are
weighted in the sequencing algorithm, so they are more likely
to be selected as tear streams.
• Specifying tear streams directly, using the Tear Specification
sheet. You should be careful not to specify more tear streams
than required for convergence. You can underspecify the
number of tear streams, and Aspen Plus will determine the
additional tear streams needed.
Obtaining Final To obtain the final convergence sequence:
Convergence 1 All convergence blocks are ordered as they appear on the
Sequence ConvOrder Specification form and the current setting of User
nesting on the ConvOptions Defaults Sequencing sheet. Blocks
not mentioned on the ConvOrder Specification form are
ordered according to the setting of Design Spec Nesting on the
ConvOptions Defaults Sequencing sheet and the span of
convergence blocks in the initial sequence.
2 Aspen Plus obtains the final convergence sequence by
repeatedly removing tears and/or design specifications from the
outermost convergence block and partitioning the reduced
flowsheet.

Aspen Plus 11.1 User Guide Convergence • 17-19

 3 For Design specification nesting as Inside or Inside
simultaneous on the Convergence ConvOptions Defaults
Sequencing sheet, you can define user-specified convergence
blocks for design specifications, and they will be inserted
automatically into the sequence.
Adding Special At the end of the final convergence sequence, special options are
Options to the added:
Sequence 1 Blocks with Execute options are inserted into the sequence.
2 Sensitivity, Balance, and Data Fit blocks not already in the
sequence are inserted.
Because a design specification loop usually has a small span, the
sequencing algorithm does not nest them (for example, a tear loop
outside and many independent design specification loops inside).
Since the algorithm does not take numerical values into account, it
sometimes places design specification loops inside tear loops when
they would perform better outside. Specifying Design Spec
Nesting as Outside on the Convergence ConvOptions Defaults
Sequencing sheet would alter the sequence but this often leads to
deeply nested iteration loops for large flowsheets.
Viewing the To view the sequence along with the tear streams and the
Sequence convergence blocks determined by Aspen Plus:
• From the View menu, click Control Panel.
The sequence is displayed in the left pane of the Control Panel.
If the left pane of the Control Panel is empty, select Step from
the Run menu.
Sequencing Example This example describes steps to converge a simple flowsheet that
does not converge properly when automatic sequencing is used. It
illustrates:
• Supplying initial estimates for recycle streams
• Altering the calculation sequence with Design spec nesting
• Altering the calculation sequence with Conv Order
• Adjusting tolerances to account for nested loops
The flowsheet consists of:
Blocks Type
TOPCOL, BOTCOL Interconnected columns
HEATER Pre-heater
COOLER Product cooler

17-20 • Convergence Aspen Plus 11.1 User Guide

 Process flowsheet window for this example

The mass flow of stream REFLUX, the inter-reflux stream from

BOTCOL to TOPCOL, is manipulated to meet a purity
specification of component THF in stream PROD. PROD is a
product stream from BOTCOL/COOLER, in design specification
THF. PSPEC is the convergence block defined to converge THF.
When distillation columns appear in a recycle loop, it is often
necessary to give initial estimates for the tear stream. Aspen Plus
makes this easy. Simply supply data for a column feed or other
stream in the loop on Streams forms, just as you would for a feed
stream, and Aspen Plus will preferentially select the stream as a
tear stream (your stream may not be selected if another stream is a
better choice by the tearing criteria).
From initial estimates for the tear stream, the Aspen Plus
sequencing algorithm determines the following computation
sequence:
HEATER
$OLVER01 TOPCOL
| PSPEC BOTCOL COOLER
| (RETURN PSPEC)
(RETURN $OLVER01)
$OLVER01 is defined to converge stream REFLUX, the inter-
connecting stream, with initial data provided. However, with this

Aspen Plus 11.1 User Guide Convergence • 17-21

 sequence the PSPEC and $OLVER01 convergence blocks fail to
converge, because the design specification is nested inside the
column recycle loop. The design specification THF does not
converge, because the purity specification is determined primarily
by the inter-reflux between the two columns (not the top product
rate of the BOTCOL alone).
The inter-reflux between the columns should be converged before
evaluation of the design specification. The design specification
should be nested outside the column recycle loop. You can alter
the nesting order of the convergence loops by either:
• Specifying Design Spec Nesting as Outside on the
Convergence ConvOptions Defaults Sequencing sheet, or
• Specifying PSPEC on the Convergence ConvOrder
Specifications sheet.
Either specification would cause the sequencing algorithm to
determine the following computation sequence, which converges:
HEATER
PSPEC
| $OLVER01 TOPCOL BOTCOL
| (RETURN $OLVER01
| COOLER
(RETURN PSPEC)
Both methods of specifying the nesting order are equivalent for
this simple problem. But using the ConvOptions Defaults
Sequencing form allows you to change the computation sequence
selectively when dealing with large flowsheets.
In this flowsheet there is no need for special tolerance adjustments
to account for the nesting of iteration loops. For some flowsheets it
is necessary to adjust tolerances so the inner loops are calculated
more accurately than outer loops; otherwise the outer loops would
be overwhelmed with errors from inner loops. For the sequence
above, use the following levels of calculation accuracy:
For these blocks Use this level of accuracy
HEATER, PSPEC Final
$OLVER01, COOLER Intermediate (higher)
TOPCOL, BOTCOL Highest
If the Error/Tolerance for PSPEC seems to go down to 10 quickly
and stay there, you should tighten tolerances for all the blocks
inside the PSPEC loop or loosen the tolerance for PSPEC. If you
observe a similar problem in $OLVER01, you could tighten the
tolerances of TOPCOL and BOTCOL.

17-22 • Convergence Aspen Plus 11.1 User Guide

 It is particularly important to ensure that any nested design
specifications have sufficiently tight tolerances, since these
tolerances are specified by the user. If problems occur, or if the
design specification is nested deeply, a tighter tolerance may be
necessary.

Checking Convergence Results

After your simulation has completed or while it is paused, you can
view convergence block results to check the status or diagnose
convergence problems.
1 If your simulation is paused, from the Run menu, click Load
Results.
2 On the Data menu, point to Convergence, then Convergence.
3 In the Convergence Object Manager, select the convergence
block and click Edit. For system-generated convergence
blocks, (names beginning with $OLVER), the results sheets are
displayed. For user-defined convergence blocks, select Results
on the left pane of the Data Browser window to display the
results sheets.
4 Choose the appropriate sheet:
This sheet Contains the information
Summary Final convergence status, variable value, and Err/Tol for
each variable converged by the block
Tear History Table of maximum Err/Tol versus iteration number.
Variable with maximum error at each iteration. Plots of
Err/Tol versus iteration number can be generated.
Spec History Table of manipulated variable values and design
specification error versus iteration number. You can
generate plots of design specification error versus
iteration number, or design specification error versus
manipulated variable value.
Use the Tear History and Spec History sheets and the Diagnosing
Tear Stream Convergence and Diagnosing Design-Spec
Convergence tables, to help you diagnose and correct tear stream
and design specification convergence problems. It is helpful to
generate a plot of Err/Tol versus iteration number.
Increasing diagnostics can also help with diagnosing problems. See
Convergence Diagnostics for more information.

Aspen Plus 11.1 User Guide Convergence • 17-23

 Control Panel Messages
The Control Panel displays convergence diagnostics for each
convergence block. Each time the convergence block is executed
in a recycle convergence loop, messages appear with the following
format:
> Loop CV Method: WEGSTEIN Iteration 9
Converging tear streams: 3
4 vars not converged, Max Err/Tol 0.18603E+02
Each time a convergence block for a design specification is
executed in a convergence loop, messages appear with the
following format:
>> Loop CV Method: SECANT Iteration 2
Converging specs: H2RATE
1 vars not converged, Max Err/Tol 0.36525E+03
Where:
CV = Convergence block ID
Max Err/Tol = Maximum error/tolerance for the
unconverged variables
> = Symbol indicating nesting level of the
convergence loop (Outside loop)
>> = Loop nested one deep
>>> = Loop nested two deep, and so on
Convergence is achieved when the value of Max Err/Tol becomes
less than 1.0.
Convergence Diagnostics You can modify the diagnostic level for convergence globally on
the Setup Specifications Diagnostics sheet.
Use the Convergence sliders to modify the diagnostic level for
convergence block information in either the control panel and in
the history file. You can also specify the diagnostic level for a
single convergence block using the Diagnostics button on the Input
Parameters sheet for any convergence block.
The default diagnostic level within Aspen Plus is 4. At a
Convergence Diagnostics Level of 4, a message is created in the
Control Panel every time the convergence block executes. This
message contains the following information:
• Convergence block
• Convergence method
• Iteration number
• What the convergence is trying to converge

17-24 • Convergence Aspen Plus 11.1 User Guide

 • Number of unconverged variables
• Maximum error/tolerance for that iteration of the convergence
block
Messages in the history file are similar, but not identical.
At a Convergence Diagnostics Level of 5, Aspen Plus creates a
table of convergence information in the Control Panel for all
unconverged variables.
For example:
> Loop C-1 Method: BROYDEN Iteration 1
Converging tear streams: 4
Converging specs: H2RATE
NEW X G(X) X ERR/TOL
TOTAL MOLEFLOW (1) 0.135448E-01 0.135448E-01 0.000000E+00 10000.0
N2 MOLEFLOW (2) 0.188997E-03 0.188997E-03 0.000000E+00 10000.0
C1 MOLEFLOW (2) 0.755987E-03 0.755987E-03 0.000000E+00 10000.0
BZ MOLEFLOW (2) 0.314995E-03 0.314995E-03 0.000000E+00 10000.0
CH MOLEFLOW (2) 0.122848E-01 0.122848E-01 0.000000E+00 10000.0
PRESSURE (2) 0.217185E-01 0.217185E-01 0.100000E+36 0.100000E+07
MASS ENTHALPY (2)-0.137111E-01-0.137111E-01 0.100000E+36 0.100000E+07
TOTAL MOLEFL (3) 0.377994E-01 0.000000E+00 0.377994E-01 -375.000
8 vars not converged, Max Err/Tol 0.17679E+05

The value in parentheses indicates the type of variable:

Variable Type Description
1 Tear stream variable which is not updated by the
convergence algorithm
2 Tear stream variable which is updated by the
convergence method
3 Design specification manipulated variable. Updated by
the algorithm
4 Calculator Tear Variable. Updated by the algorithm
New X is the value for the variable for the next iteration. X is the
value of the variable for the previous iteration. G(X) is the
calculated value for the variable at the end of the previous
iteration. When a variable is converged, X and G(X) should differ
by less than the tolerance. All values are in SI units.
Setting the Convergence Diagnostics level to 6 or higher does not
change the amount of information reported in the Control Panel.
However, it will affect the amount of information reported in the
history file, depending on the convergence method in use.

Aspen Plus 11.1 User Guide Convergence • 17-25

 Strategies for Flowsheet
Convergence
Often a flowsheet can be converged without changing any
convergence parameters.
Some general guidelines are:
• Start small. Make sure that individual blocks and elements of a
flowsheet behave as expected, before slowly combining them
into a larger simulation. A sensitivity block is useful for
determining the results of other blocks under a range of
conditions.
• Start with the simplest blocks possible. For example, converge
the flowsheet with a simple HeatX before switching it to a
rigorous HeatX.
• Give good initial guesses. Make sure the flowsheet starts
converging from a reasonable point. Aspen Plus gives tear
streams a default value of zero, which can cause problems. If
possible, select a tear stream that remains relatively constant.
• Check physical properties. Make sure they are calculated
correctly in the entire operating range of the simulation.
• Know how your flowsheet responds. Check the behavior of
blocks and design specifications using sensitivity analysis.
Look for discontinuities and flat regions that could cause
convergence difficulties.
• Check for correctness, variable accessing, spelling, and unit
specifications. When accessing real variables, make sure your
variable names do not begin with I-N.

17-26 • Convergence Aspen Plus 11.1 User Guide

 Diagnosing Tear Stream This table shows the possible causes and solutions of tear stream
Convergence convergence problems.

If plot of Err/Tol A possible To correct the problem

vs. Iteration cause is
number shows
Steady convergence — Increase Maxit above 30 on the Conv Options or Convergence block
Parameters sheet.
Steady but slow Component Check outlet streams from recycle loop to confirm that all
convergence build-up components have a way to leave the system. If there is not, the
problem may not be feasible from an engineering point of view.
(That is, there may not be a steady state solution.)

— Allow for larger acceleration steps. For Wegstein, set Lower bound
of the Wegstein acceleration parameter = -20 on the ConvOptions
Wegstein sheet, or on the Convergence block Wegstein Input
Parameters sheet. If this change speeds convergence, try lower
bound = -50.
Oscillating — For Wegstein, set upper bound to .5 to dampen the oscillations.
convergence
Err/Tol down to a Nested loops, Do one of the following:
threshold level, but and the • Set a tighter tolerance for the blocks and convergence
no further convergence
blocks in the inner loop, using the Tolerance field for these
tolerance of the
inner loops is blocks. Block tolerance can be changed globally on the
too loose Setup Simulation Options Flash Convergence sheet or
locally on the block’s Flash Options sheet. Convergence
block tolerances can be changed globally on the Conv
Options sheet for that method or locally on the
convergence block’s Parameter sheet.
• Relax the tolerance for the outside loop.
• Converge the inside and outside loops simultaneously,
using the Broyden or Newton method. Use the Design Spec
Nesting field on the ConvOptions Defaults Sequencing
sheet.
Broyden or Newton — Increase the value of Wait to 4 (on the Convergence ConvOptions
failing to converge sheet or Convergence block Parameters sheet).

If both tear streams and design-specs are specified in the

convergence block, solve only tear streams first by specifying Tear
Tolerance or Tear Tolerance Ratio. Click the Advanced Parameters
button on the Parameters sheet of the convergence block.

Switch to the Wegstein method.

Aspen Plus 11.1 User Guide Convergence • 17-27

 Some other general strategies for tear stream convergence are:
• Provide a good initial guess for the Tear stream on the Stream
form.
• Select a Tear stream that will not vary a great deal. For
example, the outlet stream of a Heater block is generally a
better choice for a tear stream than the outlet stream from a
Reactor block.
• Disconnect the recycle stream to get a good initial estimate and
to examine the sensitivity.
• Try to simplify the problem. It may be possible to do one or
more of the following to reduce the complexity of the problem:
− Add a Mixer block to reduce the number of tear streams
− Replace a HeatX block with an MHeatX to reduce the
number of tear streams
− Define and use a Component Group to reduce the number
of variables
− Choose a Tear stream that has fewer components present
− Choose a Tear stream from a block that sets an outlet
temperature
• Reinitialize the simulation. Try to converge the simulation
using a Wegstein acceleration parameter equal to 0 (set the
upper bound and lower bound to 0). This is equivalent to direct
substitution. Look for a continuing buildup of one or more
components as the iterations proceed.
• Try using a different convergence method such as Broyden or
Newton rather than the default Wegstein method.
• Confirm that the sequence for the simulation (either
Aspen Plus defined or user defined) is reasonable. See
Specifying the Calculation Sequence.

17-28 • Convergence Aspen Plus 11.1 User Guide

 Diagnosing Design This table shows the possible causes and solutions of Design
Specification Specification convergence problems.
Convergence
If plot of Err/Tol A possible To correct the problem
vs. Iteration cause is
number shows
Steady convergence — Increase Maxit above 30 on the appropriate Conv Options or
Convergence block Parameters sheet.
Err/Tol not Spec function 1. Check if the formulation of the spec function is correct.
changing insensitive to 2. Check if the correct manipulated variable is being used.
manipulated 3. Use Sensitivity study to determine the effect of the manipulated
variable variable on the spec function.

Spec function For the Secant method, select Bracket=Yes on the Conv Options or
flat over some Convergence block Parameters sheet, to use interval-halving method.
range of the
manipulated
variable
Err/Tol down to a Nested loops, Do one of the following:
threshold level, but and the • Set a tighter tolerance for the blocks and convergence
no further convergence
blocks in the inner loop, using the Tolerance field for these
tolerance of the
inner loops is
blocks.
too loose • Relax the tolerance for the outside loop.
• Converge the inside and outside loops simultaneously,
using the Broyden or Newton method. Use the Design Spec
Nesting field on the ConvOptions Defaults Sequencing
sheet.
Converged to Non-monotonic 1. For the Secant method, select Bracket=Check bounds on the Conv
variable bound Spec function Options or Convergence block Parameters sheet, to use
interval-halving method.
2. Use Sensitivity study to determine the effect of the manipulated
variable on the spec function. Adjust the bounds on the manipulated
variable, or choose a better initial guess.
Some other general strategies for Design Specification
convergence are:
• Formulate specifications to avoid discontinuities.
• Formulate specifications to reduce non-linearity with respect to
design variables. For example, set a specification on the log of
a concentration when it is near zero.
• Make sure the limits are reasonable. Try to avoid limits
spanning more than one order of magnitude.

Aspen Plus 11.1 User Guide Convergence • 17-29

 • Confirm the existence of a solution by replacing a Design
specification with a Sensitivity block.
• Make sure the tolerance is reasonable, especially when
compared with the tolerance of blocks inside the Design
specification convergence block.
Calculator Block Some other general strategies for Calculator Block convergence
Convergence are:
Suggestions • Avoid iterative loops causing hidden mass balance problems.
The sequencing algorithm can detect Fortran tear variables if
Tear Fortran Export Variables is checked on the ConvOptions
Defaults Sequencing sheet. It can converge tear variables if any
Calculator block is sequenced with Import and Export
variables. The tear variables are then solved along with the tear
streams.
• Check the correctness of the Fortran statements or Excel
formulas in the Calculator block.
• Fortran Variables beginning with the letters I through N should
be integer variables, if they have not been declared otherwise.
• Increase the diagnostics to check the value of variables used in
the calculations. Click the Diagnostics button on the Sequence
sheet. On the Diagnostics dialog box, raise the level for
Defined Variables to 5 or 6. This will print out the value of the
accessed variables.
• Add write statements to your Fortran block or macros to your
Excel spreadsheet to display intermediate values.
• If using Import and Export variables to determine the sequence,
make sure that all the variables are listed.
Resolving Sequence Use the following strategy to resolve sequence or convergence
and Convergence problems:
Problems 1 Run the simulation using the default sequence generated by
Aspen Plus.
2 Examine simulation results, looking for skipped and
unconverged unit operation blocks. Check the Control Panel
and results sheets for blocks that did not complete normally,
had errors, or had unexpected results that might affect recycle
convergence. See Checking Convergence Results for more
information.

17-30 • Convergence Aspen Plus 11.1 User Guide

 Some common reasons for these problems are:
Problem Action
Incorrect block specifications Correct them.
Feed conditions too far off Provide better estimates for tear streams
and/or design variables.
Convergence specifications Try different specifications, different
algorithm options, or increase the number
of iterations.
Algorithm options Change options
Not enough iterations Increase number of iterations
If you make any corrections, go to step 9.
3 Check whether tolerance needs adjustment. If the maximum
error/tol for convergence blocks reduces to around 10 quickly,
but fluctuates after that, tolerance adjustments may be
necessary. .
Another way to correct tolerance problems is to converge
multiple design specifications with a Broyden or Newton
convergence block.
4 If Wegstein convergence blocks converge slowly, try some
Wegstein parameters, such as Wait=4, Consecutive Direct
Substitution Steps=4, Lower Bound=-50. Providing better
estimates for tear streams would also help.
5 If tear stream convergence blocks oscillate, try using the Direct
method for convergence. If the problem persists, examine the
flowsheet to determine if every component has an outlet. The
oscillation of a tear stream loop could also be caused by the
non-convergence of design specification loops inside the tear
stream loop; check for this next, if oscillation persists. If
oscillation stops, try the acceleration technique described in
step 4.
6 Examine the Spec Summary and check for non-converged
design specifications. Some common reasons for a design
specification that does not converge are:
Design Specification Problem Action
Not reachable within bounds on Accept the solution or relax the bounds.
variable
Not sensitive to manipulated Select a different manipulated variable
variable to meet the design specification or
delete the design specification.
Insensitive to manipulated Provide a better initial guess, refine the
variable in a certain range bounds, and/or enable the Bracket
option of the Secant convergence
method.

Aspen Plus 11.1 User Guide Convergence • 17-31

 Not sensitive to the manipulated See Sequencing Example. If it is
variable, because the design necessary to alter the calculation
specification loop is not nested sequence, see step 7.
properly
7 Alter the calculation sequence, if necessary, using one of the
following options. (This step requires a good understanding of
the process you are simulating and is intended for advanced
users only):
If you want to Specify
Make one or more design These loops on the ConvOrder
specification loops the Specifications sheet (See Specifying
outermost loops Convergence Order)
Alter the nesting of a small A partial sequence on the Sequence
section of the flowsheet Specifications sheet (see Specifying the
Calculation Sequence)
Use specific tear streams These streams on the Tear
Specifications sheet (see Specifying
Tear Streams)
There are other options on the ConvOptions Defaults
Sequencing sheet that also affect the calculation sequence (see
Convergence Options).
8 If all convergence blocks are converged but the overall mass
balance is not in balance, check Calculator blocks for possible
errors. It is recommended that you use Import and Export
Variables to sequence regular Calculator blocks, and use
Execute to sequence initialization Calculator blocks.
9 If the flowsheet is modified, rerun the simulation and go back
to step 2.

17-32 • Convergence Aspen Plus 11.1 User Guide

 Example of Err/Tol Going After about 8 recycle convergence iterations, the Err/Tol value
Down to a Threshold goes down to a threshold value, but not lower. This recycle is
Value nested outside of an inner design specification loop. Set a tighter
tolerance for the inner loop.

100
80

Err/Tol
60
40
20
0
0 5 10 15 20 25 30
Iteration Number

Example of Manipulated This design specification function is non-monotonic. Depending on

Variable Moving to a the initial value of the manipulated variable, the convergence
Bound algorithm may move the manipulated variable to the upper bound,
even though a solution exists within the bounds. Specify Check
Bounds in the Bracket field on the Convergence ConvOptions
Methods Secant sheet or Secant Input Parameters sheet. Ensure
that the secant algorithm checks both bounds, to try to bracket the
solution.

100

80

60
Err/Tol

40

20 Initial
Value
0

-20 Manipulated Variable

Lower Upper
Bound Bound

Aspen Plus 11.1 User Guide Convergence • 17-33

 Example of Err/Tol Value The Err/Tol value does not change for a design specification,
Not Changing where the temperature of a reactor is being manipulated to control
the conversion in the reactor. A sensitivity analysis shows that the
specification function (conversion) is flat over some range of the
manipulated variable. Specify Yes in the Bracket field on the
Convergence ConvOptions Methods Secant sheet or Secant Input
Parameters sheet for this design specification problem.

100

80

60
Err/Tol

40

20 Initial
Temp
0
Temp Temperature Temp
Lower Upper
Bound Bound

17-34 • Convergence Aspen Plus 11.1 User Guide

 EO Convergence
Instead of solving each block in sequence, the equation-oriented
(EO) strategy gathers all the model equations together and solves
them at the same time. Although the number of variables and
equations can be very large, EO solves the entire flowsheet
simultaneously without many nested convergence loops and uses
analytical derivatives. As a result, much larger problems can be
solved for the same computational effort.
This strategy is very effective for solving these kinds of problems:
• Highly recycled processes and heat-integrated processes
• Processes with many design specifications
• Process optimization
• Process model tuning through data reconciliation and
parameter estimation
The equation-oriented strategy provides two solvers:
• DMO
• LSSQP
Both solvers implement a variant of the successive quadratic
programming (SQP) algorithm to solve large-scale optimization
problems, by solving a sequence of quadratic programming
subproblems.
One important difference between DMO and LSSQP is that DMO
ignores all variable bounds during the solution of equation-oriented
simulation and parameter estimation cases, that is, modes with no
degrees of freedom.
This section includes the following topics about convergence:
• EO convergence options
• The DMO Solver
• The LSSQP Solver

Aspen Plus 11.1 User Guide Convergence • 17-35

 Specifying EO Convergence Options
Use the sheets of the EO Convergence Options Setup form to
specify:
• The solver to use
• Sequential-modular (SM) initialization parameters
• Sequential-modular to equation-oriented (SM-to-EO) and
equation-oriented to sequential-modular (EO-to-SM) switch
parameters used with mixed mode
To set parameters at the hierarchical block and flowsheet level for
EO convergence:
1 From the menu bar, click Data | Convergence | EO Conv.
2 On the Solver sheet, select the solver to use for equation-
oriented strategy solutions.
• DMO
• LSSQP
3 On the SM Init sheet, specify the sequential-modular (SM)
initialization parameters at the hierarchical block and flowsheet
levels.
The following tables list and describe the setup parameters for
EO convergence.
SM Initialization Description
Parameters
Maximum flowsheet The maximum number of flowsheet
evaluations evaluations to perform.
Wait The number of direct substitution iterations
before the first acceleration iteration.
Consecutive direct The number of consecutive acceleration
substitution steps iterations between acceleration iterations.
Diagnostic message The level of errors and diagnostics that are
level printed in the history file.

Wegstein Description
Acceleration
Parameters
Lower bound The lower limit for the Wegstein
acceleration parameter (q).
Upper bound The upper limit for the Wegstein
acceleration parameter (q).

17-36 • Convergence Aspen Plus 11.1 User Guide

 4 On the SM to EO sheet, specify the sequential-modular to
equation-oriented (SM-to-EO) switch parameters that are used
at the hierarchical block and flowsheet levels in the Mixed
Mode solution strategy.
SM to EO Switch Description
Parameters
Maximum The maximum number of flowsheet
initialization passes evaluations.
Tolerance The tolerance for sequential-modular
initialization.
Bypass SM When set to yes, sequential-modular
initialization initialization is bypassed if block and
streams have been previously initialized.
5 On the EO to SM sheet, specify the equation-oriented to
sequential-modular (EO-to-SM) switch parameter that is used
at the hierarchical block and flowsheet levels in the Mixed
Mode solution strategy.
EO to SM Switch Description
Parameter
Maximum iterations The maximum number of iterations after
failure of the equation-oriented (EO)
solution before switching back to the
sequential-modular (SM) solution method.

About the DMO Solver

The DMO solver implements a variant of the successive quadratic
programming (SQP) algorithm to solve small or large-scale
optimization problems. It performs the optimization by solving a
sequence of quadratic programming sub-problems.
DMO offers various options for controlling the line search and
trust region methods to improve efficiency and robustness,
particularly for large problems. DMO is also useful for solving
cases with no degrees of freedom, such as equation-oriented
simulation and parameter estimation.
The general optimization problem that DMO solves can be
expressed as follows:
Minimize f(x)
Subject to c(x) = 0
xmin ≤ x ≤ xmax
Where:

Aspen Plus 11.1 User Guide Convergence • 17-37

 x∈ R
n Vector of unknown variables

R1 Objective function

Rm Vector of constraint equations

Rn Vector of lower bounds on x

xmax ∈ R
n Vector of upper bounds on x

A simplified description of the DMO algorithm is outlined as

follows:
1 Given an initial estimate of the solution vector, x0
2 Set iteration counter, k = 0
3 Evaluate derivative of the objective function, gradient, and the
derivative of the constraints, Jacobian.
4 Initialize or update an approximation of the second derivative
matrix, or Hessian, of the Lagrange function.
The Lagrange function, f(x) + ∑ λici, accounts for constraints
through weighting factors λi , often called Lagrange multipliers
or shadow prices.
5 Solve a quadratic programming subproblem to determine a
search direction, dk. In the quadratic programming subproblem,
the objective function is replaced by a quadratic
approximation, constraints are linearized, and bounds are
included.
6 Check for convergence or failure. If the optimization
convergence criteria are satisfied or if the maximum number of
allowed iterations is reached, then end.
Convergence is achieved when:
• Objective function gradient ≤ objective function
convergence tolerance
• Scaled or unscaled constraint residuals ≤ residual
convergence tolerance
7 Perform a one-dimensional search to determine a search step
αk so that xk+αkdk is a better approximation of the solution as
measured by a line search or merit function. The reduction of
merit function requirement is sometimes relaxed to achieve a
full correction step.
8 Update iteration counter, k = k + 1, and loop back to step 3.

17-38 • Convergence Aspen Plus 11.1 User Guide

 You can change the following DMO solver parameters referred to
in step 6:
• Maximum number of allowed iterations to reach convergence
• Objective and residual convergence tolerance

Changing DMO Solver Parameters

These forms contain the DMO solver parameters that you can
change:
• DMO Basic
• DMO Adv(anced)
You can change a parameter setting for use in all run modes or
limit the change to a particular run mode.

Note: We recommend that you start your equation-oriented

strategy with the default parameter settings in the DMO Adv
sheets.

How you change the DMO solver parameters determines the effect
the change has in a specified run mode.
• Any change you make to a parameter setting in Default run
mode changes the default value of that parameter for all run
modes.
• Any change you make to a parameter setting for a specific run
mode is valid only for that run mode.
If you change any Default run mode parameter setting, a
checkmark appears to the left of "Default."
Use the Basic sheet of the EO Convergence DMO Basic Form to
change these parameters for the solver:
• Maximum number of allowed iterations
• Objective function convergence tolerance
• Residual convergence tolerance
To change basic DMO parameters:
1 From the menu bar, click Data | Convergence | EO Conv.
2 Select the DMO Basic form to display its input sheets.
3 On the DMO Basic sheet, select the run mode for which you
want to change the parameter settings.
– or –
Select Default to change the parameter settings for all run
modes.

Aspen Plus 11.1 User Guide Convergence • 17-39

 4 Change convergence tolerance, as desired.
Convergence Tolerance Description
Parameters
Residual The residual convergence tolerance
The default is 1E-06.
Objective The objective function tolerance.
The default is 1E-06.
5 Change iteration limits parameters, as desired.
Iteration Limits Description
Parameters
Max iterations The maximum iterations allowed. The
default is 50.
Min iterations The minimum iterations allowed. The
default is 0.
Using Creep Mode DMO has a creep mode to make the optimization more
conservative and robust. This mode simply makes the optimizer
take smaller steps for a specified number of iterations.
Creep mode is very helpful when the problem diverges. It can also
prevent the DMO optimizer from making aggressive moves that
cause singularities when models are taken into regions where the
equations are not well defined.
To use creep mode:
1 From the menu bar, click Data | Convergence | EO Conv.
2 Select the DMO Basic form to display its input sheets.
3 On the DMO Basic sheet, select the run mode for which you
want to change the parameter settings.
– or –
Select Default to change the parameter settings for all run
modes.
4 Enable creep mode and specify the parameters.
Creep Step Parameters Description
On/Off switch Enables (On) and disables (Off) Creep
mode. The default is Off.
Iterations The number of iterations to perform
creep steps. The default is 10.
Step size The step size, as a fraction of the full
step size when in creep mode. The
default is 0.1.
Viewing Iteration By default DMO displays iteration summary information in the
Summary Information Control Panel. Use the Report sheet of the EO Convergence
Basic DMO form to determine the amount of information
displayed in the Control Panel.

17-40 • Convergence Aspen Plus 11.1 User Guide

 To change DMO solver report options:
1 From the menu bar, click Data | Convergence | EO Conv.
2 Select the DMO Basic form to display its input sheets.
3 On the DMO Report sheet, select the run mode for which you
want to change the parameter settings.
– or –
Select Default to change the parameter settings for all run
modes.
4 Change the report parameters, as desired.
Report Description
Parameters
Print level The diagnostic printing level for reporting variables and residuals, where:
Brief prints the ten worst residuals (default)
Full prints all variables and residuals

Note: Full print can result in a very large amount of output.

Iteration The diagnostic printing frequency for variables and residuals, where variables and
frequency residuals are printed at every nth iteration. The default is 1.
Output device The output device for the iteration log, where:
Terminal prints to the Control Panel.
File prints to the EO Solver Report.
File output shows more significant figures.
This is a sample of the Control Panel output:
Residual Objective Objective Overall Model
Convergence Convergence Function Nonlinearity Nonlinearity Worst
Iteration Function Function Value Ratio Ratio Model
--------- ----------- ----------- ---------- ------------ ------------ -------
0 5.781D-06 4.782D-03 -2.779D+00 9.950D-01 -4.485D+00 C2S
1 1.640D-04 2.774D-02 -2.792D+00 5.528D-01 -2.011D+01 C2S
2 5.560D-03 4.533D-03 -2.870D+00 9.020D-01 9.269D-01 C2S
3 1.247D-04 1.109D-03 -2.857D+00 7.547D-01 9.498D-01 C2S
4 9.993D-06 2.506D-05 -2.853D+00 9.233D-01 9.510D-01 C2S
5 2.751D-07 7.327D-06 -2.853D+00 9.504D-01 8.874D-01 C2S
6 4.162D-08 1.637D-05 -2.853D+00 5.642D-01 -3.939D+00 C2S
7 6.724D-07 7.624D-05 -2.853D+00 5.956D-01 -1.281D+00 C2S
8 9.962D-07 4.329D-05 -2.854D+00 9.176D-01 8.254D-01 C2S
9 2.691D-07 3.344D-06 -2.854D+00 7.505D-01 6.581D-01 C2S
10 1.324D-07 4.748D-06 -2.854D+00 8.463D-01 6.907D-01 C2S
11 4.804D-08 1.700D-06 -2.854D+00 9.487D-01 8.925D-01 C2S
12 1.395D-08 4.722D-07 -2.854D+00
*******************************************************************************
Successful solution.
Optimization Timing Statistics Time Percent
================================ ======== =======
MODEL computations 2.38 secs 40.88 %
DMO computations 0.72 secs 12.40 %
Miscellaneous 2.72 secs 46.72 %
-------------------------------- --------- -------
Total Optimization Time 5.83 secs 100.00 %

Aspen Plus 11.1 User Guide Convergence • 17-41

 Here, the Objective Convergence Function refers to the Jacobian of
the objective function. The Nonlinear Ratio is a measure of the
nonlinearity of the problem. The closer the value is to one, the
more linear the problem. A negative value indicates that the
problem behaved in the opposite of what was expected. Near the
solution, as the step sizes become small, this value becomes close
to one.
The last section of the output shows the execution times for the
various parts of the problem.
In this example, we can see that convergence was achieved when
the residual and objective convergence functions were less than
their respective tolerances at iteration 12.
From this output, we also see that there have been no line searches.
Thus the step size for each iteration is one. When a line search is
performed for an iteration, a message similar to this appears:
<Line Search ACTIVE> ==> Step taken 3.26D-01

Specifying Active Set The active set is the set of variable bounds that hold with equality
Initialization at any feasible point. The active set initialization procedure in
Parameters DMO provides both efficiency and robustness. It produces a
"warm" start, based on the existing information of a successful
execution. This is very important for applications with a large
number of degrees of freedom (above 100). For such applications,
up to 50% improvement in execution speed has been reported in
addition to improved robustness.
To specify the active set initialization parameters,
1 From the menu bar, click Data | Convergence | EO Conv.
2 Select the DMO Adv form to display its input sheets.
3 On the QP2 sheet, specify the parameters.
Active Set Initialization Description
Parameters
Save active set When set to Yes, writes to the <prob>.set file every time a QP
subproblem successfully converges in Optimization and
Reconciliation run mode. The file contains information on which
variables were active at bounds. When the "restore active set"
parameter is set to Yes, the information in the file can be used to
initialize the active set of another run.
Restore When set to Yes, the information in the <prob>.set file is used to
initialize the active set as an initial guess of the active set.
Using Micro- This option pertains to the situation where a problem may become
Infeasibility Handling infeasible due to very small errors in one or more constraints. This
often happens in optimization cases as a result of round-off or
machine precision errors, or loose convergence tolerance.

17-42 • Convergence Aspen Plus 11.1 User Guide

 Employing this option leads to far fewer cases of solver failure due
to infeasible problems, thus improving robustness and enhancing
usability.
To use the micro-infeasibility handling parameters,
1 From the menu bar, click Data | Convergence | EO Conv.
2 Select the DMO Adv form to display its input sheets.
3 On the QP1 sheet, enable micro-infeasibility handling and
specify the mode.
Micro-Infeasibility Handling Description
Parameters
On/Off switch Enables (On) and disables (Off) Micro Infeasibility handling in the
QP. The default is Off.
Bound relaxation tolerance The absolute relaxation of an infeasible bound in the QP while micro-
infeasibility handling is enabled.
Maximum corrections The maximum number of micro-infeasibility handling attempts that
can be performed in one DMO iteration.
Applying a Trust The application of a trust region limits the optimization moves for
Region the optimized variables only. The optimized variables are allowed
to move within an initial range for a fixed number of iterations.
The size of the trust region is specified as a fraction of the original
variable bound range. Following the fixed iterations, the size of the
trust region is gradually increased until it reaches the original
variable bound range.
These options provide better reliability and execution efficiency to
a number of problem classes such as parameter reconciliation
(typically found in refinery optimization) and design optimization.
In some cases, up to 80% improvement of execution time has been
reported.
To apply a trust region,
1 From the menu bar, click Data | Convergence | EO Conv.
2 Select the DMO Adv form to display its input sheets.

Aspen Plus 11.1 User Guide Convergence • 17-43

 3 On the Search sheet, enable the application of a trust region
and specify these parameters.
Trust Region Parameters Description
On/Off switch Enables (On) or disables (Off) the application of a trust region that
limits the optimization moves for the Optimized variables only. The
default is Off.
Fixed Iterations The number of iterations that the trust region will be applied with a
fixed size. The default is 2.
Ramp Iterations The number of iterations, following the fixed iterations, over which
the size of the trust region is gradually increased until it reaches the
original variable bound range. The default is 2.
Initial size The range that the optimized variables are initially allowed to move
for all of the fixed iterations, expressed as a fraction of the original
variable bound range. The default is 0.1.

Viewing DMO Solver Report

Information
DMO outputs information to two report files:
• EO Solver Report File (*.atslv)
• DMO Active Bounds Report (*.atact)
The DMO Active Bounds Report (*.atact) and EO Solver Report
(*.atslv) report files are similar. However, the Active Bounds
report lists all of the problem variables and independent variables;
whereas the Solver Report does not.
To display either report:
• Select View | Solver Reports and click the report your want to
view.
The following sections describe contents of the EO Solver report
for the DMO solver:
• Problem information
• Basic iteration information
• Largest unscaled residuals
• Constrained variables and shadow price
• General iteration information
• Nonlinearity ratios

17-44 • Convergence Aspen Plus 11.1 User Guide

 The EO Solver report begins with a summary of the problem. This
Problem Information
shows the size of the problem and the values of some important
parameters.
Model or plant name C2S
Solution case OPTIMIZE
Number of variables 1024
Number of equality constraints 1004
Number of fixed variables 18
Actual degrees of freedom 2
Number of lower bounded variables 1024
Number of upper bounded variables 1024
Total number of constraints 3052
Maximum number of iterations 50
Printing frequency -1
Objective function tolerance 1.0D-06
Residual convergence tolerance 1.0D-06
Derivative perturbation size 1.0D-06
Solution mode NORMAL
Maximum number of models 4000
Maximum number of soft bounds 1500
Time of run 15:46:44
Date of run 13-AUG-00

Basic Iteration At each iteration, the following header is printed, showing the
Information iteration number and the value of the objective function:
+----------------+
| Iteration 0 |
+----------------+

Objective Function => -2.779

Largest Unscaled This section of the EO Solver report shows the largest unscaled
Residuals residuals. A similar section shows the largest scaled residuals. This
section is particularly helpful when the solver has trouble closing
all the residuals, because it points to the largest residual.
Shadow
Index Most Violated UNSCALED Residuals Residual Price
====== ======================================= ============ =============
975 MSMT.T2.BLKEQN_OFFSET -5.06330D-03 3.17244D-03
974 MSMT.T1.BLKEQN_OFFSET -8.05215D-04 5.21167D-04
575 C2S.BLKEQN_PHSEQBL_81_C2H4 1.72885D-05 8.55130D-03
568 C2S.BLKEQN_PHSEQBL_80_C2H4 1.72406D-05 7.37848D-03
561 C2S.BLKEQN_PHSEQBL_79_C2H4 1.63227D-05 6.39407D-03
582 C2S.BLKEQN_PHSEQBL_82_C2H4 1.61711D-05 9.91235D-03
554 C2S.BLKEQN_PHSEQBL_78_C2H4 1.49203D-05 5.59494D-03
589 C2S.BLKEQN_PHSEQBL_83_C2H4 1.38826D-05 1.14612D-02
547 C2S.BLKEQN_PHSEQBL_77_C2H4 1.33611D-05 4.97392D-03
540 C2S.BLKEQN_PHSEQBL_76_C2H4 1.18602D-05 4.52121D-03

Aspen Plus 11.1 User Guide Convergence • 17-45

 Constrained This section of the EO Solver report shows the variables that lie
Variables and on their bounds and reports the variable number, which bound is
Shadow Price active, the variable name, the current value and the shadow price.
The shadow price is also known as the Lagrange multiplier. This is
the derivative of the objective function with respect to the value of
the constraint and represents the cost for the constraint.
Projected Active Constraints Shadow
Index for the Next Iteration Bound Price
====== ======================================= ============ =============
949 Upper Bnd [Link].C2H6 2.00000D-04 -4.32924D+02

The shadow price is based on the value of the objective function

that is seen by DMO. That means the shadow price is in SI units,
such as $/sec, and is affected by any scaling. This is true even if
you declare the units to be something other than SI (such as $/HR).
Consider this example. We have a tower with a composition
constraint, expressed as a mole fraction of a component. The
following table shows the results of two optimization runs at two
different values of the composition constraint:
Value Objective Shadow Price
0.0002 2.853 432.924
0.0003 2.893 258.664
The large change in the shadow price indicates that the effect of
the composition on the objective function is very nonlinear. We
can manually estimate the average shadow price in this region by a
finite difference method:
Price = ∆Obj/∆x = ( 2.893-2.853 ) / ( 0.0003 - 0.0002 ) = 400.00
$/sec/mole fraction
This value lies between the two prices.
If the objective function had a scale factor of 100., we would get
the following:
Value Objective Shadow Price
0.0002 285.4 43290.7
0.0003 289.3 25860.2
We would have to remember to unscale the shadow price by
dividing by 100.

17-46 • Convergence Aspen Plus 11.1 User Guide

 This section of the EO Solver report appears after the residual
General Iteration
output:
Information
Iteration status => Normal
Degrees of freedom => 2
Constrained variables => 0
Current degrees of freedom => 2
Number of function evaluations => 0
Number of Jacobian evaluations => 1
Objective function convergence function => 4.78209D-03
Residual function convergence function => 5.78057D-06
LU decomposition time (seconds) => 2.77D-01
Search direction time (seconds) => 3.91D-01

Reported Item Description

Iteration status The exit condition of that iteration, where:
• Normal indicates a normal successful iteration.
• Warning indicates a successful iteration despite some solver
difficulties.
• Error indicates a failure.
• Solved indicates the final iteration of a successfully solved
problem.
Degrees of freedom The number of declared independent variables in the problem
Constrained variables Those variables at bounds in the QP subproblem
Current degrees of freedom The degrees of freedom less the constrained variables. This is the true
degrees of freedom for the problem. A highly constrained solution is
one that has very few current degrees of freedom.
Number of function An accumulative count of function evaluations, which generally
evaluations matches the number of iterations
Number of Jacobian An accumulative count of Jacobian evaluations, which generally
evaluations matches the number of iterations
Objective function The norm of the Jacobian for the objective function. At the solution,
convergence function this value should be near zero.
Residual function convergence The sum of the scaled residuals. At the solution, this value should be
function near zero.

Aspen Plus 11.1 User Guide Convergence • 17-47

 This section of the EO Solver report shows the nonlinearity ratio of
Nonlinearity Ratios
the worst block, the objective function, and the worst equations.
The criterion is the accuracy of the predicted change in the
equation. If the function is linear, then the new value would match
the predicted value and the nonlinearity ratio would be one. A
value of the ratio other than one indicates some degree of
nonlinearity. A negative value indicates that the function value
moved in the opposite of the expected direction. Large negative
values could indicate a discontinuity or bad derivative.
This section also shows the step size for the iteration.
Model nonlinearity ratios =>
----------------------------

C2S = 0.69071

Model nonlinearity ratios of 6 model(s) between 0.99 and 1.01

Objective function nonlinearity ratio => 1.0000

Non-Linearity Report for Iteration 11 : Step Fraction = 1.00000D+00

Index Worst Equation Non-Linearity Ratios Ratio Deviation

===== ======================================== ============ ============
484 C2S.BLKEQN_PHSEQBL_68_C2H4 1.53058D+00 5.30578D-01
491 C2S.BLKEQN_PHSEQBL_69_C2H4 1.48206D+00 4.82055D-01
498 C2S.BLKEQN_PHSEQBL_70_C2H4 1.43615D+00 4.36148D-01
499 C2S.BLKEQN_PHSEQBL_70_C2H6 1.43222D+00 4.32219D-01
505 C2S.BLKEQN_PHSEQBL_71_C2H4 1.39245D+00 3.92447D-01

17-48 • Convergence Aspen Plus 11.1 User Guide

 Guidelines for Using the DMO Solver
In this section, we describe some ideas to improve the performance
of the DMO solver and to help diagnose common problems,
including:
• Scaling
• Handling infeasible solutions
• Handling singularities
• Variable bounding
• Run-time intervention
Scaling Generally, it is not necessary to scale your equations or variables
beyond what is done by default in the models. However, it may be
more efficient to scale your objective function.
The scaling of the objective function plays an important role, since
it affects the overall convergence behavior. This is particularly
important in cases where there is a large change between the
original value of the objective and the expected optimum.
A good rule of thumb is to scale the objective function so that its
value is on the order of 10 to 1000.
To change the scale of an objective function:
1 Choose Data | EO Configuration | Objective from the menu
bar.
2 In the Object Manager, use the scroll bar to display the Scale
column and change the scale value for the desired objective
function.
For example:

Aspen Plus 11.1 User Guide Convergence • 17-49

 Handling Infeasible Infeasible solutions often occur during optimization cases where it
Solutions is not possible to simultaneously solve all the equations while
respecting all the variable bounds. This does not happen in
simulation cases, because DMO ignores bounds in simulation
cases.
If you solve a simulation case that violates a bound, then the
optimization case will start at an infeasible point. In this case, the
following is reported in the EO Solver report:
Information => QP step for variable 1157: [Link].C2H6
was adjusted to satisfy its UPPER bound = 2.0000000E-04
The size of QP step violation was = 2.5673465E-04

Here, the value of the variable had to be adjusted to respect the

bound. When the optimization proceeds and there is no feasible
solution for the equality constraints, the screen output might look
like this:
Residual Objective Objective Overall Model
Convergence Convergence Function Nonlinearity Nonlinearity Worst
Iteration Function Function Value Ratio Ratio Model
--------- ----------- ----------- ----------- ------------- ------------- ------
Warning ... QP slack variable = 2.29070D-01
0 9.312D-04 4.809D-03 -2.779D+00 9.968D-01 -2.834D-01 C2S
Warning ... QP slack variable = 1.80624D-01
1 5.244D-04 4.667D-02 -2.792D+00 2.900D-01 -1.846D+02 C2S
Warning ... QP slack variable = 1.44771D-01
2 1.552D-02 5.479D-02 -2.922D+00 -7.475D-01 -1.540D+01 C2S
Warning ... QP slack variable = 6.09502D-01
3 3.853D-02 2.379D-03 -3.083D+00 9.908D-01 9.914D-01 C2S
Warning ... QP slack variable = 1.87163D-01
4 1.496D-02 1.040D-02 -3.075D+00 8.346D-01 6.012D-01 C2S
Warning ... QP slack variable = 3.18508D-01
+---------------------- ERROR ----------------------+
Error return from [DMO] system subroutine DMOQPS
because the problem has NO FEASIBLE SOLUTION.
Action : Check the bounds that are set on variables
to insure consistency. Check the .atact file
for information on initial
infeasibilities.
+---------------------------------------------------+
Error return, [DMO] System Status Information = 5
Optimization Timing Statistics Time Percent
================================ ======== =======
MODEL computations 1.32 secs 31.10 %
DMO computations 0.91 secs 21.28 %
Miscellaneous 2.03 secs 47.61 %
-------------------------------- --------- -------
Total Optimization Time 4.26 secs 100.00 %
Updating Plex
Problem failed to converge

Note the messages from the QP indicating an invalid value for a

slack variable.
To solve this problem, you need to be aware of the initial message,
indicating that the initial value of a variable violated its bound. In
this case, [Link].REFL_RATIO_MASS is causing the problems.

17-50 • Convergence Aspen Plus 11.1 User Guide

 Unfortunately, the EO Solver report does not list this variable as
constrained, since it could never solve the QP successfully.
Micro infeasibility handling parameters are located on the DMO
ADV QP1 sheet.
Handling Singularities often occur when a library model is moved into a
Singularities region where the equations are not well defined. The most
common example of this is when a stream flow becomes too small.
If singularities exist, they are usually detected at the start of the
problem. In this case, some information is written to the EO Solver
report file (*.atslv), which can help locate the cause of the
problem. In general, you should prevent stream flows from going
near zero by placing nonzero lower bounds on the flow (e.g., 10
kg/hr). This is especially important on streams from flow splitters
or feed streams whose total flow is being manipulated. In the case
of a singularity the following message is displayed:
+-------------------- WARNING ----------------------+
A NUMERICALLY SINGULAR matrix is detected during
the ANALYSIS phase of LU decomposition.
The number of dependent equation set(s) detected = 1
Check the output file for more information.
+---------------------------------------------------+

The EO Solver report includes information on the possible cause of

the singularity similar to the following:
+-------------------- WARNING ----------------------+
A NUMERICALLY SINGULAR matrix is detected during
ANALYZE phase of LU decomposition.
WARNING: The dependent equation set is NOT unique.
It depends on the options for performing
LU decomposition.
==> Dependent equation set: 1
The partial derivatives of the following
equations with respect to variable
1: Strm 1 moles lbmol/h
in the reduced matrix are zero.
Equation -> 10: Enthalpy balance M Btu/lbmol
is a function of the following variables:
1: Strm 1 moles lbmol/h = 0.00000D+00 -> Calc
4: Strm 1 enth M Btu/lbmol = -7.45977D+01 -> Const
12: Strm 2 moles lbmol/h = 0.00000D+00 -> Const
15: Strm 2 enth M Btu/lbmol = -7.45977D+01 -> Const
23: Heat loss MM Btu/h = 0.00000D+00 -> Const
25: Prod moles lbmol/h = 8.93760D-07 -> Calc
28: Prod enth M Btu/lbmol = -7.45977D+01 -> Calc
Equation -> 9: Prod C9H20_1 mf
is a function of the following variables:
1: Strm 1 moles lbmol/h = 0.00000D+00 -> Calc
10: Strm 1 C9H20_1 mf = 4.52017D-01 -> Const
12: Strm 2 moles lbmol/h = 0.00000D+00 -> Const
21: Strm 2 C9H20_1 mf = 4.52017D-01 -> Const
25: Prod moles lbmol/h = 8.93760D-07 -> Calc
34: Prod C9H20_1 mf = 4.52017D-01 -> Calc

Sometimes, singularities are simply caused by the optimization

being too aggressive. This moves the models into a region where
the equations are not well defined. To make the optimization more

Aspen Plus 11.1 User Guide Convergence • 17-51

 robust, DMO has a creep mode. This mode simply causes smaller
steps to be taken for a specified number of iterations.
When the creep mode is enabled, the following message is
displayed at each iteration:
<Line Search Creep Mode ACTIVE> ==> Step taken 1.00D-01

By default, this will operate for 10 iterations with a step size of 0.1.
You can use the creep mode Iterations and Step size parameters to
change these values.
The Basic sheet of the EO Convergence DMO Basic form
contains the creep mode parameters.
Variable Bounding By default DMO does not respect bounds during the solution of an
EO Simulation or Parameter-Estimation case. However, you can
impose bounds in a square case by using a different line search
parameter. This is recommended only in cases where there are
truly multiple solutions to a model (e.g. the cubic equation) and
you want to use a bound to eliminate an unwanted solution.
To use this mode, change the algorithm line search parameter to
square. This parameter is on the Convergence | EO Conv Options
| DMO Basic DMO | Search sheet.
In general, it is not recommended to heavily bound an optimization
problem for reasons that are both practical and algorithmic.
Bounds on independent variables are recommended in order to
avoid unbounded problems. All other bounds should be used only
if they are absolutely necessary. Finally, redundant bounds should
be avoided.
Run-Time During long runs, it is possible to change the behavior of the DMO
Intervention solver. In the Control Panel, the Interrupt DMO Solver frame
contains a set of buttons:

17-52 • Convergence Aspen Plus 11.1 User Guide

 Click this button To
Close Residuals Fix all of the independent variables at their
current values and close the residuals.
No Creep Take DMO out of creep mode.
Abort Stop the DMO solver.

About the LSSQP Solver

LSSQP (Large-scale Sparse Successive Quadratic Programming
algorithm) implements a variant of a class of successive quadratic
programming (SQP) algorithms, for large-scale optimization. It
performs the optimization by solving a sequence of quadratic
programming subproblems. The general optimization problem that
LSSQP solves can be expressed as follows:
Minimize f(x)
Subject to c(x) = 0
xmin ≤ x ≤ xmax
Where:

x∈ R
n Vector of unknown variables

R1 Objective function

Rm Vector of constraint equations

Rn Vector of lower bounds on x

xmax ∈ R
n Vector of upper bounds on x

A simplified description of the LSSQP algorithm is outlined as

follows:
1 Given an initial estimate of the solution vector, x0
2 Set iteration counter, k = 0
3 Evaluate derivative of the objective function, gradient, and the
derivative of the constraints, Jacobian.
4 Initialize or update an approximation of the second derivative
matrix, or Hessian, of the Lagrange function.

The Lagrange function, f(x) + ∑ λici, accounts for constraints

through weighting factors λi , often called Lagrange multipliers
or shadow prices.
5 Solve a quadratic programming subproblem to determine a
search direction, dk. In the quadratic programming subproblem,
the objective function is replaced by a quadratic

Aspen Plus 11.1 User Guide Convergence • 17-53

 approximation, constraints are linearized, and bounds are
included.
6 Check for convergence or failure. If the optimization
convergence criteria are satisfied or if the maximum number of
allowed iterations is reached, then skip to step 10.
Convergence is achieved when:
• Kuhn-Tucker error (KTE) ≤ relative optimization
convergence tolerance * max(0.01,| f |), and
• Relative change in X ≤ 0.001, and
• Scaled or unscaled constraint residual ≤ 0.001.
The KTE is the sum of predicted improvement to the objective
function and the sum of constraint violations converted to
objective function units through λi-like factors.
7 Perform a one-dimensional search to determine a search step
αk so that xk+αkdk is a better approximation of the solution as
measured by a line search or merit function. The reduction of
merit function requirement is sometimes relaxed to achieve a
full correction step.
8 Perform up to the maximum feasibility correction steps
allowed at each SQP iteration if constraint violation is greater
than the specified tolerance on iteration constraint violations.
9 Update iteration counter, k = k + 1, and loop back to step 3.
10 Perform up to the maximum number of feasibility corrections
allowed to try to reduce constraint violations below the
tolerance on final constraint violations after the optimization
calculation is terminated if the constraint violation is greater
than the tolerance on final restraint violations.
You can change the following LSSQP solver parameters referred
to in steps 6, 8, and 10:
• Relative convergence tolerance and maximum number of SQP
iterations allowed
• Maximum feasibility corrections steps allowed at each SQP
iteration and for the final constraint violations
• Tolerances for iteration and final constraint violations

Changing LSSQP Solver Parameters

These forms contain the LSSQP solver parameters that you can
change:
• LSSQP Basic
• LSSQP Adv(anced)

17-54 • Convergence Aspen Plus 11.1 User Guide

 You can change a parameter setting for use in all run modes or
limit the change to a particular run mode.

Note: We recommend that you start your equation-oriented

strategy with the default parameter settings in the LSSQP Adv
sheets.

How you change the LSSQP solver parameters determines the

effect the change has in a specified run mode.
• Any change you make to a parameter setting in Default run
mode changes the default value of that parameter for all run
modes.
• Any change you make to a parameter setting for a specific run
mode is valid only for that run mode.
If you change any Default run mode parameter setting, a
checkmark appears to the left of "Default."
Use the Basic sheet of the EO Convergence LSSQP Basic form
to change these parameters for the solver:
• Convergence tolerance
• Iteration limits and maximum feasibility corrections
To change basic LSSQP parameters,
1 From the menu bar, click Data | Convergence | EO Conv.
2 Select the LSSQP Basic form to display its input sheets.
3 On the DMO Basic sheet, select the run mode for which you
want to change the parameter settings.
– or –
Select Default to change the parameter settings for all run
modes.
4 Change convergence tolerance, as desired.
Convergence Tolerance Description
Parameters
Relative convergence tolerance The relative optimization convergence tolerance (RELEPS) used in
the Kuhn-Tucker error criterion,
KTE <= RELEPS * max(0.01, | f |)
where f is the objective function value.
The default is 0.0001.
Iteration constraint violation The tolerance on iteration constraint violations, the limit above which
tol feasibility correction will be applied after every iteration. The default
is 0.01.
Final constraint violation tol The tolerance on final constraint violations, the limit above which
feasibility correction will be applied at the end of the optimization
calculation. The default is 1E-06.

Aspen Plus 11.1 User Guide Convergence • 17-55

 5 Change iteration limits parameters, as desired.
Iteration Limits Parameters Description
Max iterations The maximum number of successive quadratic programming (SQP)
iterations allowed. The default is 50.
Min iterations The minimum number SQP iterations allowed. The default is 0.
Max iter with line search The maximum number of consecutive SQP iterations with line search
failure failure before terminating LSSQP. The default is 5.
Max iter with QP failure The maximum number of consecutive SQP iterations with QP failure
before terminating LSSQP. The default is 10.
Max feasibility corrections, The maximum number of feasibility corrections allowed at each SQP
Iteration constraint violations iteration to try to keep constraint violations below the Iterative
Constraint Violation Tolerance. The default is 2.
Max feasibility corrections, The maximum number of feasibility corrections allowed to try to
Final constraint violations reduce constraint violations below the specified Final Constraint
Violation Tolerance after the optimization calculation is terminated.
The default is 5
Viewing Iteration By default LSSQP displays iteration summary information in the
Summary Information Control Panel. Use the Report sheet of the EO Convergence
Basic LSSQP form to determine the amount of information
displayed in the Control Panel and written to the EO Solver
Report.
To change the LSSQP solver report options displayed in the
Control Panel:
1 From the menu bar, click Data | Convergence | EO Conv.
2 Select the LSSQP Basic form to display its input sheets.
3 On the LSSQP Report sheet, select the run mode for which
you want to change the parameter settings.
– or –
Select Default to change the parameter settings for all run
modes.
4 Change the report parameters, as desired.
Report Parameters Description
Control panel print level The diagnostic printing level:
1, 2, and 3 prints minimal information
4 (default)
5 prints all information
Note: Other standard diagnostic print level values are accepted.
Print frequency var/constr Controls the frequency of printing full variable/constraint vectors in
the EO Solver Report file. The first and last vectors are always
printed when requested by the KPLLEV parameter, which can be set
from the Command Line in the Control Panel. The default is 1.
Top entries to print Controls the number of top entries to print in top entry outputs in the
EO Solver Report file. The default is 10

17-56 • Convergence Aspen Plus 11.1 User Guide

 This is a sample of the default level 4 output as it appears on the
Control Panel:
ITER OBJECTIVE CVGFV CVGXV KTE STEP
------ -------------- ----------- ------------ ------------ ----------
0 -3.4257645E+06 5.106924E+00 7.347808E-01 2.148703E+06 1.000000
1 -3.4257645E+06 4.872122E-03 8.110961E-02 1.069679E+05 1.000000
2 -2.1849028E+06 4.312783E-06 1.306456E+00 8.275901E+05 0.404257
3 -2.4741712E+06 4.260273E-02 5.436194E-01 4.624763E+05 1.000000
4 -2.8521446E+06 1.936678E-03 1.071219E-01 1.365544E+04 1.000000
5 -2.8630787E+06 2.120101E-08 4.970143E-03 1.433122E+04 1.000000
6 -2.8774099E+06 5.166505E-08 2.468234E-02 7.162204E+04 1.000000
7 -2.9490319E+06 2.764360E-15 1.204388E-01 3.581098E+05 1.000000
8 -3.3071418E+06 3.675410E-16 5.374625E-01 1.790549E+06 1.000000
9 -5.0976910E+06 7.561621E-16 2.000000E+00 1.799832E+05 1.000000

ITER OBJECTIVE CVGFV CVGXV KTE STEP

------ -------------- ----------- ------------ ------------ ----------
10 -5.2808468E+06 7.203597E-03 3.054726E-03 3.486644E+03 1.000000
11 -5.2803351E+06 1.396656E-14 1.622406E-11 7.063055E-06 1.000000

--- Exit: Optimal Solution Found At Iteration 11 -5.280335E+06

--- Kuhn-Tucker Error = 7.0630546E-06

Column Description
ITER Iteration number
OBJECTIVE Value of the objective function (sign flipped for maximization).
CVGFV Minimum of maximum scaled and maximum unscaled constraint
violations.
CVGXV Relative change to the solution vector.
KTE Kuhn-Tucker error. This is the sum of predicted improvements to the
objective function and the sum of the constraint violations.
Convergence is achieved when the KTE is smaller than the relative
optimization convergence tolerance * max(0.01,|OBJECTIVE|).
STEP Line search step size. A value of 1.0 means the full QP step is
accepted by the SQP algorithm.
In the previous example, the optimization case took full steps
except at iteration 2. Convergence was achieved at iteration 11,
when the reported KTE/STEP was less than the convergence
tolerance.

Aspen Plus 11.1 User Guide Convergence • 17-57

 Here is another output example of a simulation case:
ITER OBJECTIVE CVGFV CVGXV KTE STEP
---- ------------- ------------ ------------ ------------ --------
0 1.0000000E+00 2.178502E+02 2.103637E+01 2.133547E+03 0.500000
Sum of residuals, original: 1225. after trunc corr: 178.5
Sum of residuals, original: 733.0 after trunc corr: 29.39
Sum of residuals, original: 408.7 after trunc corr: 8.791
1 1.0000000E+00 4.159885E+01 4.918471E+00 4.087358E+02 0.500000
Sum of residuals, original: 201.1 after trunc corr: 11.90
Sum of residuals, original: 123.3 after trunc corr: 4.323
2 1.0000000E+00 5.205981E+00 1.769934E+00 7.658213E+01 0.500000
3 1.0000000E+00 6.515141E-01 1.163140E+00 1.072216E+01 0.500000
4 1.0000000E+00 1.953012E-01 7.133331E-02 1.387447E+00 1.000000
5 1.0000000E+00 1.597505E-05 6.530054E-02 1.304687E-03 1.000000
6 1.0000000E+00 2.040595E-10 1.084146E-08 6.420894E-10 1.000000

--- Exit: Optimal Solution Found At Iteration 6 1.00000

--- Kuhn-Tucker Error = 6.4208940E-10

In this case, the message indicates that a truncation correction has

occurred (trunc corr). This message displays the sum of the
residuals before and after the correction. Usually, the residuals
after the correction will be less than before.
A truncation correction occurs when the QP subproblem results in
variable values that violate their bounds. The correction moves the
search direction so the bounds are not violated. In the example, this
occurred because the initial variable values were far from the
solution.

Viewing LSSQP Solver Report

Information
LSSQP outputs information to the EO Solver Report file (*.atslv).
To view the EO Solver Report:
• Choose View | Solver Reports |EO Solver Report from the
menu bar.
The following sections describe contents of the EO Solver report
for the LSSQP solver:
• Basic iteration information
• Independent variables
• constrained variables
• Largest scaled variables changes
• Inactive equations
• Largest scaled residuals
• Largest block RMS residuals

17-58 • Convergence Aspen Plus 11.1 User Guide

 • Line search information
• Objective and worst merit function contributors
Basic Iteration For each iteration, the following header is printed in the EO Solver
Information report:
At iteration 0 objective function is -143376.7
The Kuhn-Tucker convergence error is 218.6529
The objective convergence function is 0.1525023E-02
The relative variable change is 0.6969386
The residual convergence function is 0.4115772
The number of constrained variables is 4
The number of inactive constraints is 1

In this section of the report:

• The Kuhn-Tucker convergence error is the sum of predicted
improvements to the objective function and the sum of the
constraint violations. Convergence is achieved when the Kuhn-
Tucker error is smaller than the relative optimization
convergence tolerance * max(0.01,|objective function|).
• The objective convergence function is the Kuhn-Tucker error
divided by max(1,|objective function|).
• The residual convergence function is the minimum of
maximum scaled residuals and maximum unscaled residuals.
At the solution, this value should be near zero.
• Constrained variables are those at bounds in the QP
subproblem.
• Inactive constraints are near dependent constraints that are
ignored. If there are inactive constraints at the solution that
have nonzero values, the solution will be infeasible. This is
usually caused by bounds on variables that are too restrictive.
Independent This section of the EO Solver report lists the independent variables
Variables in the problem, if any. For each independent variable, it reports:
• Variable name
• Current value
• Predicted change
• Engineering units
For example:
Current Predicted Unit
Variable Value Change Label
============================ =========== =========== =====
[Link] -2.76045D+8 -5.17799D-6 J/KMOL
[Link] 6.18498D+6 3.79210D+4
[Link] 7.17081D+2 5.12329D+1
[Link] 5.33938D+6 -1.77228D+1
[Link].SEV_CONV 8.70210D+1 1.23832D-1
[Link] -6.74940D+7 -9.44669D+4 J/KMOL
[Link] -5.25177D-1 -1.36958D+5 J/KMOL
[Link] 2.75749D+7 -1.40134D+5 J/KMOL
[Link] 1.45123D-1 1.17838D-2 KMOL/SEC

Aspen Plus 11.1 User Guide Convergence • 17-59

 [Link] 3.20429D+1 2.17914D-1 KMOL/SEC
[Link] -2.85193D+8 2.33215D+3 J/KMOL

Constrained This section of the EO Solver report lists the variables that lie on
Variables their bounds. It also includes any independent variables that are on
their bounds. The number of independent variables minus the
number of constrained variables gives the true degrees of freedom
of the problem.
This section reports:
• Variable name
• Current value
• Shadow price
• Which bound is active
• Engineering units
For example:
Current Shadow Unit
Variable Value Price ST Label
============================== =========== ========== == =======
[Link].T_APPR_VARY_HOT_OUT 2.46022D+0 6.97669D+1 LB
[Link].STM2HC 3.13771D-1 5.02803D-5 UB
[Link] 6.9686D-22 1.03365D10 LB KMOL/SEC
[Link] 1.32479D-7 2.55533D+8 LB KMOL/SEC

The shadow price is also known as the Lagrange multiplier. This

is the derivative of the objective function with respect to the value
of the constraint and represents the cost for the constraint.
The shadow price is based on the value of the objective function
that is seen by LSSQP. The shadow price is in SI units (such as
$/sec) and is affected by any scaling. This is true even if you
declare the units to be something other than SI (such as $/HR).
For example, consider a tower with a composition constraint,
expressed as a mole fraction of a component. The following table
shows the results of two optimization runs at two different values
of the composition constraint:
Value Objective Shadow Price
0.0002 2.85371 432.898
0.0003 2.89270 258.600
The large change in the shadow price indicates that the effect of
the composition on the objective function is very nonlinear.
We can manually estimate the average shadow price in this region
by a finite difference method:
Price = ∆Obj/∆x = ( 2.89270-2.85371 ) / ( 0.0003 - 0.0002 ) = 389.90 $/sec/mole
fraction
This value lies between the two prices.

17-60 • Convergence Aspen Plus 11.1 User Guide

 If the objective function had a scale factor of 100., the results
would be:
Value Objective Shadow Price
0.0002 285.371 43289.8
0.0003 289.270 25860.0
We would have to remember to unscale the shadow price by
dividing by 100.
Largest Scaled This section of the EO Solver report lists the largest changes in the
Variable Changes scaled variable values. For example:
Scaled Unscaled Unit
Variable Change Change Label
========================== ========== ========== ======
[Link].C12+.RPDF 7.04324D+1 7.04324D+1 UNITLESS
[Link] 6.77703D+1 6.77703D+1 UNITLESS
[Link].E1CIN.MASS_FLOW 6.74310D+1 2.42751D+5 KG/HR
[Link] 5.28199D+1 5.28199D+1 UNITLESS
[Link].MASS_FLOW 5.20639D+1 1.87430D+5 KG/HR
[Link] 4.08393D+1 4.08393D+3
[Link] -2.89008D+1 -2.89008D+1 UNITLESS
[Link] -2.83628D+1 -2.83628D+1 UNITLESS
[Link] -2.83628D+1 -2.83628D+1 UNITLESS
[Link] 2.22672D+1 2.22672D+3

Inactive Equations This section of the EO Solver report lists the equations that are
being ignored by the LSSQP solver. Equations can be dropped if
the solver detects a singularity that indicates a redundant equation.
The section reports:
• Equation name
• Both the scaled and unscaled residuals
• Shadow price
For example:
Scaled Unscaled Shadow
Equation Residual Residual Price
=========================== ========== ========== =====
C-152.BLKEQN_PHSEQBL_1_C2H4 1.1358D-21 1.1102D-16 0.0

Largest Scaled This section of the EO Solver report lists the largest scaled
Residuals residuals. The information is particularly helpful when the solver
has trouble closing all the residuals, because it will point to the
largest.
For example:
Scaled Unscaled Shadow
Equation Residual Residual Price
========================== =========== ========== ==========
[Link].PRES_STARFCC -4.11577D-1 -4.11577D-1 0.0
C-152.BLKEQN_TVAPBAL_2 2.26102D-5 2.26102D-5 -2.75083D+1
C-152.BLKEQN_TLIQBAL_1 1.74271D-5 1.74271D-5 -1.51055D-7
C-152.SPCEQN_REFLXFL_MOLE 1.74271D-5 1.74271D-5 -1.51055D-7
C-52.BLKEQN_TVAPBAL_12 1.13277D-5 1.13277D-5 -1.95647D+3
C-52.SPCEQN_TOTVAPF_12 1.13277D-5 1.13277D-5 -1.36513D-7
C-152.BLKEQN_TVAPBAL_3 9.63191D-6 9.63191D-6 -3.56231D+1

Aspen Plus 11.1 User Guide Convergence • 17-61

 C-152.BLKEQN_TVAPBAL_4 7.07905D-6 7.07905D-6 -4.31158D+1
C-52.BLKEQN_TVAPBAL_2 6.66457D-6 6.66457D-6 -2.03781D+2
C-52.SPCEQN_TOTVAPF_2 6.66457D-6 6.66457D-6 6.21243D-8

A similar section shows the largest unscaled residuals.

Largest Block RMS This section of the EO Solver report lists the blocks in the problem
Residuals with the largest root mean square (RMS) error. The RMS is
computed by summing the square of the block residuals, dividing
by the number of residuals and then taking the square root. This
information is helpful for locating the blocks with which the solver
is having the most difficulty.
For example:
Unscaled RMS Scaled RMS
Block Residual Residual
======== ============ ============
S75S76 3.609771D-2 3.609771D-2
C2PURITY 2.059359D-5 1.453351D-6
STOWELL 1.943364D-5 1.370308D-6
E152X 2.578084D-6 1.818588D-6
C-152 1.626889D-6 1.500459D-6
C-52 1.037275D-6 1.004139D-6
E153 8.232714D-7 5.936894D-7
E153C 1.224158D-7 8.974070D-9
TK50ASV 2.562687D-9 5.20943D-12
TK50BSV 1.781939D-9 2.58536D-12

Line Search When a line search is performed, the EO Solver report includes the
Information following information:
SPGDEL: -206.3993 SUMVLA: 24.52433 DFLSA: -230.9237
FLSA: -143352.2 FLAGA: -143382.7 FOBJ: -143376.7
L.S. 1 ALPHA: 1.000000 FLSN: -132870.4 FOBJ: -143583.1
L.S. SUMVL: 10712.68 LAGF: -143646.8 DFLS: 10481.76

The reported quantities are:

SPGDEL Predicted change to the minimization objective function.
SUMVLA Sum of constraint violations at the base point in objective function unit.
DFSLA Predicted change to the merit function.
FLSA Value of line search (merit) function at the base point.
FLAGA Value of the Lagrange function at the base point.
FOBJ Value of objective function.
ALPHA Current line search step.
FSLN Line search merit function at the new trial point.
SUMVL Sum of constraint violations at the trial point.
LAGF Value of Lagrange function at the trial point.
DFLS Actual change to the line search merit function. In the default mode, a line search
step is accepted if DFLS ≤ DELTLS*DFLSA with DELTLS=0.1.

17-62 • Convergence Aspen Plus 11.1 User Guide

 Use this information to decide whether a given line search step
should be accepted or a smaller search step should be tried. Step
size parameters are located on the Search sheet of the EO Conv
Options LSSQP Basic form.
Objective and Worst This section of the EO Solver report lists the equations with which
Merit Function the LSSQP solver is having the most difficulty.
Contributors
The penalty difference is the product of penalty parameter (which
is related to the shadow price or Lagrange multiplier) and the
deviation from predicted value. The criterion is the accuracy of
the predicted change in the equation.
If the constraint or function is linear, then the new value would
match the predicted value and the penalty difference would be
zero. A penalty-difference with large values can indicate a model
error, such as a bad derivative or a discontinuous function
The objective function is always included in this section.
For example:
Penalty Old New Predicted
Equation Difference Value Value Value
=========================== ========== =========== =========== ============
Objective function 0.0 -1.43377D+5 -1.43583D+5 -1.43583D+5
[Link].RPDFRES_C9 1.95491D+3 1.5543D-15 1.54495D-3 3.7869D-15
[Link].VPHSEQL_C9 1.28099D+3 -1.3878D-17 4.38797D-4 -4.3368D-19
[Link].LPHSEQL_C9 8.88920D+2 7.7716D-16 3.04019D-4 1.6324D-15
C10.BLKEQN_CMASSBL_5_C9 5.93981D+2 8.6736D-19 2.03331D-4 6.0715D-18
C10.BLKEQN_CMASSBL_5_C10 5.36714D+2 -2.7756D-17 8.39660D-4 1.0408D-17
[Link].RPDFRES_C9 4.16714D+2 -1.5543D-15 1.18137D-3 7.7438D-15
[Link].LPHSEQL_C9 2.82947D+2 -2.3592D-16 9.68612D-5 9.3502D-16
USPYF2.BLKEQN_FURNACE_DUTY 2.12369D+2 0.0 -1.94803D-2 4.08101-8

Guidelines for Using the LSSQP

Solver
In this section, we describe some ideas to improve the performance
of the DMO solver and to help diagnose common problems,
including:
• Scaling
• Handling infeasible solutions
• Handling singularities
• Handling infeasible QPs
• Variable bounding
Scaling Generally, it is not necessary to scale your equations or variables
beyond what is done by default in the models. However, it may be
more efficient to scale your objective function. A good rule of

Aspen Plus 11.1 User Guide Convergence • 17-63

 thumb is to scale the objective function so that its value is on the
order of 1000.
To change the scale of an objective function:
1 Choose Data | EO Configuration | Objective from the menu
bar.
2 In the Object Manager, use the scroll bar to display the Scale
column and change the scale value for the desired objective
function.
Some improvement in efficiency can also be gained by changing
the initial Hessian scaling factor. Try experimenting with different
values for a particular case.
To change the initial Hessian scaling factor:
1 Choose Data | Convergence | EO Conv Options in the menu
bar.
2 In the Data Browser, open the LSSQP Adv form.
3 In the Hessian 1 sheet, change the Initial Hessian scaling
factor parameter value.
You may also want to experiment with the lines search scaling
option. The default value is 4. You may get some improvement by
changing the value to 3, which scales the variables by their initial
value.
To change the search scaling option:
1 Choose Data | Convergence | EO Conv Options in the menu
bar.
2 In the Data Browser, open the LSSQP Adv form.
3 In the Search 1 sheet, change the scaling option parameter to
3.

17-64 • Convergence Aspen Plus 11.1 User Guide

 Handling Infeasible Infeasible solutions often occur during simulation cases where it is
Solutions not possible to simultaneously solve all the equations while
respecting all the variable bounds. When this happens, the solver
normally computes many truncation corrections.
The output in the Control Panel looks like this:
ITER OBJECTIVE CVGFV CVGXV KTE STEP
---- ------------- ------------ ------------ ------------ --------
0 1.0000000E+00 1.453799E-01 2.982288E+00 3.441815E-01 1.000000
1 1.0000000E+00 1.755033E-03 1.481445E-01 5.962440E-02 1.000000
Sum of residuals, original: 2.8489E-02 after trunc corr: 2.1627E-03
Sum of residuals, original: 2.6725E-02 after trunc corr: 2.0242E-02
2 1.0000000E+00 2.951699E-03 1.139164E-01 2.672484E-02 0.361724
Sum of residuals, original: 2.7633E-02 after trunc corr: 2.1639E-02
Sum of residuals, original: 2.7633E-02 after trunc corr: 2.3761E-02
3 1.0000000E+00 9.202641E-03 9.079848E-02 2.763303E-02 0.389011
Sum of residuals, original: 2.8873E-02 after trunc corr: 2.4775E-02
Sum of residuals, original: 2.8873E-02 after trunc corr: 2.5970E-02
4 1.0000000E+00 1.486325E-02 6.671752E-02 2.887299E-02 1.000000
Sum of residuals, original: 3.3207E-02 after trunc corr: 2.8020E-02
Sum of residuals, original: 3.0125E-02 after trunc corr: 2.8168E-02
Sum of residuals, original: 2.8408E-02 after trunc corr: 2.8147E-02
5 1.0000000E+00 2.816730E-02 1.256638E-04 2.840781E-02 0.504517
Sum of residuals, original: 2.8274E-02 after trunc corr: 2.8145E-02
Sum of residuals, original: 2.8149E-02 after trunc corr: 2.8143E-02
Sum of residuals, original: 2.8144E-02 after trunc corr: 2.8143E-02
6 1.0000000E+00 2.814340E-02 3.802187E-07 2.814364E-02 0.500004
Sum of residuals, original: 2.8144E-02 after trunc corr: 2.8143E-02
Sum of residuals, original: 2.8143E-02 after trunc corr: 2.8143E-02
Sum of residuals, original: 2.8143E-02 after trunc corr: 2.8143E-02

Note that the residual error before and after the truncation
correction is the same. This means that no matter how much the
solver cuts back, the residual error still persists.
To solve this problem, review the LS-SQP report and note which
variables are causing the truncation corrections. For example, the
following report excerpt is related to the residual error problem:
Line search in 1 trials, ALPHA is 1.00000
Adjust D([Link].REFL_RATIO_MASS) from 0.11488 to 0.00000E+00
Sum of residuals, original: 2.8143E-02 after trunc corr: 2.8143E-02
Adjust D([Link].REFL_RATIO_MASS) from 0.11488 to 0.00000E+00
Sum of residuals, original: 2.8143E-02 after trunc corr: 2.8143E-02

This shows that variable [Link].REFL_RATIO_MASS is causing the

problem, which is, in fact, the case. Unfortunately, this variable
does not show up in the Constrained Variables section of the EO
Solver Report. So, you must interpret the truncation correction
messages.
Handling Singularities often occur when a library model is moved into a
Singularities region where the equations are not well defined. The most
common example of this is when a stream flow becomes too small.
If singularities exist, they are usually detected at the start of the
problem. In this case, some information is written to the EO Solver
report, which can help locate the cause of the problem.

Aspen Plus 11.1 User Guide Convergence • 17-65

 In general, you should prevent stream flows from going near zero
by placing nonzero lower bounds on the flow (e.g., 10 kg/hr). This
is especially important on streams from flow splitters or feed
streams whose total flow is being manipulated.
Handling Infeasible Sometimes, the QP subproblem can become infeasible. This may
QPs be caused by restrictive bounds on the problem. Often, however, it
is simply caused by too aggressive a move by the solver. Try
reducing the step size of the line search.
To reduce the line search step size:
1 Choose Data | Convergence | EO Conv Options in the menu
bar.
2 In the Data Browser, open the LSSQP Basic form.
3 In the Search sheet, change the values of these line search
parameters:
Line Search Parameter Value
Number of bounded 10
iterations
Initial step size limit -0.25
These settings force the solver to limit its step size to 0.25 for the
first 10 iterations. The negative value for the Initial step size limit
implies an absolute step size limit. A positive value indicates a
relative step size limit.
Variable Bounding As stated previously, a judicious use of variable bounds can help
avoid a lot of problems. However, many bounds on a problem can
reduce solution efficiency.
One way to check if innocuous bounds are causing problems is to
examine the EO Solver Report (*.atslv) for truncation corrections
or active constraints during all the iterations. Many times, variable
bounds will become active that may actually inhibit the path to the
solution. In the worst case, an unimportant bound is active at the
solution of an optimization problem.
Consider removing the following:
• Component mole flow lower bounds
• Stream splitter split fraction bounds
• Redundant bounds
Redundant bounds can cause serious problems for the solver.
These arise when you have the same effective bound on two
different variables that are related.

17-66 • Convergence Aspen Plus 11.1 User Guide

 C H A P T E R 18

Accessing Flowsheet Variables

Overview
This chapter contains information about:
• Accessing sequential-modular variables
• Equation-oriented variables
• Accessing equation-oriented variables
• EO aliases
• EO ports

Accessing SM Variables
You access or manipulate flowsheet variables when using the
following Aspen Plus features:
• Design specifications
• Calculator blocks
• Optimization problems
• Data-Fit problems
• Sensitivity blocks
• Case study
For help on flowsheet variables, see one of the following topics:
• Accessing flowsheet variables
• Types of accessible flowsheet variables
• Choosing input and parameter variables
• The layout (or structure) of the vector variable types

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-1

 Accessing Flowsheet Variables
When you run a simulation in Aspen Plus, you often need to record
or modify the value of quantities in the simulation, such as the
temperature of a flash block or the mass flow of a stream.
References to flowsheet quantities are made by "accessing" these
variables.
For example, to study the effect of a column reflux ratio on the
mole fraction of a component in the distillate, two flowsheet
quantities (variables) would need to be accessed: the reflux ratio of
the column and the mole fraction of the component in the distillate.
Several features in Aspen Plus require you to access variables,
such as design specifications, Calculator blocks, optimization
problems, data-fit problems, and sensitivity blocks.
Most accessed variables have a user-specified name associated.
However, variables that are to be varied by a design-spec, a
sensitivity block, or optimization do not have a name associated.
There are two kinds of variables in a simulation:
Type of Variable Information
Those which you You can manipulate directly any variables that you
enter enter.
These variables may be either read or written.
Those calculated by These variables should not be overwritten or varied
Aspen Plus directly,
as this would lead to inconsistent results.
These variables should only be read.
Accessed variables can be either scalar or vector. An example of a
scalar variable is the pressure for a specific stage in a RadFrac
block. The pressure profile for a column is an example of a vector
variable. For more information, see Types of Accessed Flowsheet
Variables.
It is important to make sure the correct variable is accessed. Look
at the prompt at the bottom of the form when you select a variable
from a drop-down list.

Types of Accessed Flowsheet

Variables
:Values for accessed scalar variables are in the units specified in
the Units field (on the Data Browser toolbar). For example, you
might define a variable as a stream temperature on the Design Spec
Define sheet. If the Units field for the sheet says ENG, the

18-2 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 accessed temperature value is in degrees Fahrenheit. Vector
variables are in SI units, regardless of the Units specified.
There is only one set of units for an object. All accessed variables
(both defined and varied) for an object are in the same set of units.
You can access flowsheet variables for these variable types
• Block variables
• Stream variables
• Other variables
• Property parameters
Block Variables Variable type Description
Block-Var Unit operation block variable
Block-Vec Unit operation block vector

Stream Variables Variable type Description

Stream-Var Non-component-dependent stream variable
Stream-Vec Stream vector
Substream-Vec Substream variable
Mole-Flow Component mole flow in a stream
Mole-Frac Component mole fraction in a stream
Mass-Flow Component mass flow in a stream
Mass-Frac Component mass fraction in a stream
Stdvol-Flow Component standard liquid volume flow in a
stream
Stdvol-Frac Component standard liquid volume fraction in a
stream
Heat-Duty Heat stream duty
Work-Power Work stream power
Stream-Prop Stream property defined by a property set
Compattr-Var Component attribute element
Compattr-Vec Component attribute vector
PSD-Var Substream Particle Size Distribution (PSD)
element
PSD-Vec Substream Particle Size Distribution (PSD)
vector
Variables of types Mole-Frac, Mass-Frac, Stdvol-Frac, Stream-
Prop, and the Stream-Vars MOLE-ENTHALPY, MASS-
ENTHALPY, MOLE-ENTROPY, MASS-ENTROPY, MOLE-
DENSITY, MASS-DENSITY, and LFRAC can be accessed only
as results. You cannot change or set them.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-3

 Other Variables Variable type Description
Balance-Var Balance block variable
Chem-Var Chemistry variable
Presr-Var Pressure relief variable
React-Var Reactions variable
Parameter User-defined parameter. See Using Parameter
Variables
Property Parameters Accessed property parameters are always in SI units.
Variable type Description
Unary-Param Scalar unary property parameter
Unary-Cor-El Temperature-dependent unary property
parameter coefficient element
Un-Cpr-Vec Temperature-dependent unary property
parameter coefficient vector. For more
information, see Accessing Property Parameter
Vectors
Bi-Param Scalar binary property parameter
Bi-Cor-El Temperature-dependent binary property
parameter coefficient element
Bi-Cor-Vec Temperature-dependent binary property
parameter coefficient vector.
NC-Param Nonconventional component parameter

Variable Definition Dialog Box

When completing a Define sheet, such as on a Calculator, Design
specification or Sensitivity form, specify the variables on the
Variable Definition dialog box. The Define sheet shows a concise
summary of all the accessed variables, but you cannot modify the
variables on the Define sheet.
When on any Define Sheet:
1 To create a new variable, click the New button.
– or –
To edit an existing variable, select a variable and click the Edit
button.
2 Type the name of the variable in the Variable Name field.
3 In the Category frame, use the option button to select the
variable category.
4 In the Reference frame, select the variable type from the list in
the Type field.

18-4 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 Aspen Plus displays the other fields necessary to complete the
variable definition.
5 Click Close to return to the Define sheet.
Example for Calculating The mass flow rate of a make-up stream (MAKEUP) is determined
Make-up Flow Rate by the difference between the mass flow rate of the recycle stream
(RECYCLE) and 120 lb/hr, using a Fortran Calculator block.
Aspen Plus writes the make-up flow rate to the Control Panel.
On the Calculator Define sheet, Fortran variables FMAKE and
FRECYC are defined for the two stream mass flow rates. The
Variable Definition dialog box is used to define the variables.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-5

 On the Calculator Calculator sheet, these Fortran statements are
included:
F FMAKE=120.0-FRECYC
C If no makeup is required, set
C the makeup to a small value
C to avoid losing the makeup
C stream composition
IF([Link].0.0) FMAKE=0.0001
WRITE(NTERM,10) FMAKE
10 FORMAT(1X,’MAKEUP FLOW RATE=’, F10.2)

Choosing Input or Results Variables

It is sometimes important to distinguish between input and results
when accessing:
• Block variables
• Pressure relief variables
For example, suppose you are sampling the calculated duty of a
Heater block that has temperature and vapor fraction specified.
You must access the results variable QCALC, not the input
variable DUTY. DUTY will not have a value.
To determine whether a variable is an input or results variable:
1 In the Variable Definition dialog box where you are accessing
the variable, click the arrow in the Variable field, and select the
variable from the list.
2 Check the prompt. If the prompt begins with Calculated, the
variable is a results variable. Otherwise it is an input variable.

18-6 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 Guidelines for Follow these guidelines for choosing input or results variables:
Choosing Input or • Choose input variables when setting or manipulating input
Results Variables specifications.
• Choose results variables for use in design specification
expressions, optimization objective functions, constraint
expressions, and sensitivity tabulations,.
• See Types of Flowsheet Variables for special considerations
when accessing variables in a Data-Fit block.
• If a result is available in an outlet stream of a block, access the
stream variable. For example, to access the temperature
calculated by a Heater block, access the temperature of the
outlet stream.
• If a result is not available in an outlet stream of a block, choose
a block variable with a prompt that begins with Calculated. For
example, the prompt for the variable QCALC (the duty
calculated by a Heater block) is Calculated heat duty.
• MASS-FRAC, MOLE-FRAC and STDVOL-FRAC are results
variables and cannot be changed.

Using Parameter Variables

A parameter variable is a user-defined global variable you can use
for temporary storage of quantities not defined in Aspen Plus. For
example, the temperature difference between two blocks can be a
parameter variable. You identify parameter variables by variable
number. There can be any number of parameter variables in a
simulation.
Example of Using a A design specification manipulates a user-defined variable
Parameter Variable for (Parameter 1), which represents the temperature difference
Temperature Difference between two heaters. A Fortran Calculator block retrieves the
parameter (DELT) and the temperature of the first heater (T1), and
uses these variables to set the temperature of the second heater
(T2). The Variable Definition dialog box is used to define the
variables on the Calculator Define sheet.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-7

 On the Design Spec form:

On the Calculator form:

18-8 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-9
18-10 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide
 Accessing Vectors
You can use the vector variable types to access an entire block
profile, stream or substream at once. Aspen Plus interprets the
Fortran variable you assign to the vector as an array variable. You
do not need to dimension it.
This table shows the vector variables:
Variable type Description
Block-Vec Unit operation block vector (see Accessing
Block Vectors )
Stream-Vec Stream vector (see Accessing Stream and
Substream Vectors)
Substream-Vec Substream variable(see Accessing Stream and
Substream Vectors)
Compattr-Vec Component attribute vector (see Component
Attributes and PSD)
PSD-Vec Substream Particle Size Distribution (PSD)
vector (see Component Attributes and PSD)
Un-Cor-Vec Temperature-dependent unary property
parameter vector (see Accessing Property
Parameter Vectors)
Bi-Cor-Vec Temperature-dependent binary property
parameter vector (see Accessing Property
Parameter Vectors)
Aspen Plus generates a variable by adding the letter L to the
beginning of the Fortran variable name which you assign to the
vector. The value of this variable is the length of the vector. You
can use the variable in Fortran statements, but you cannot change
its value.
In Excel Calculator blocks, Aspen Plus assigns the data to a
column, beginning in the cell with the specified name.

Accessing Stream and Substream

Vectors
You can use the Stream-Vec and Substrm-Vec variable types to
access an entire stream or substream at once. Aspen Plus interprets
the Fortran variable you assign to the stream as an array variable.
You do not need to dimension it.
A stream vector contains all the substream vectors for that stream
class. The order of the substreams is defined on the Define Stream

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-11

 Class dialog box (click the Define Stream Class button on the
Setup StreamClass Flowsheet sheet).
The variables in a stream or substream vector are always in SI
units.
Substream MIXED This is the layout of the substream vector for substream MIXED
and Stream Class and for Stream-Vec, when accessing the default stream class
CONVEN CONVEN:
Array Index Description
1, . . . , NCC Component mole flows (kg-moles/sec)
NCC + 1 Total mole flow (kg-moles/sec)
NCC + 2 Temperature (K)
NCC + 3 Pressure (N/m2)
NCC + 4 Mass enthalpy (J/kg)
NCC + 5 Molar vapor fraction
NCC + 6 Molar liquid fraction
NCC + 7 Mass entropy (J/kg-K)
NCC + 8 Mass density (kg/m3)
NCC + 9 Molecular weight (kg/kg-mole)
NCC is the number of conventional components specified on the
Components Specifications Selection sheet. The order of the
component mole flows is the same as the order of components on
that sheet. All values are in SI units, regardless of the Units
specification on the Define sheet.
Aspen Plus generates a variable by adding the letter L to the
beginning of the Fortran variable name, which you assign to the
substream or stream vector. The value of this variable is the length
of the vector (NCC + 9). You can use the variable in Fortran
statements, but you cannot change its value.
In Excel Calculator blocks, Aspen Plus assigns the data to a
column, beginning in the cell with the specified name.

18-12 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 Example for Accessing a A Fortran Calculator block is used to write the mole fractions of
Stream Vector stream HX1-OUT to the terminal. On the Define sheet of the
Calculator block, Fortran variable SOUT, of the type Stream-Vec,
is defined.

On the Calculator Calculator sheet, these Calculator statements are

included:
NCOMP=LSOUT-9
WRITE(NTERM,30)
DO 10 I=1, NCOMP
X(I)=SOUT(I)/SOUT(NCOMP+1)
WRITE(NTERM, 20) I, X(I)
10 CONTINUE
20 FORMAT (10X, I3, 2X, F10.4)
30 FORMAT (’STREAM HX1-OUT MOLE FRACTIONS’)

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-13

 On the Declarations dialog box, the following statement allows for
up to 20 components:
DIMENSION X(29)
Substream CISOLID The layout of a substream vector for a CISOLID substream is the
same as for a MIXED substream, with one exception. If the
CISOLID substream has a PSD, an array of values for the PSD is
appended to the vector. NCC is the number of conventional
components. Space for all conventional components is reserved in
both the MIXED and CISOLID substreams. The component order
is the same as on the Components Specifications Selection sheet.
All values are in SI units, regardless of the Units specification.
In the following table, n represents the number of intervals in the
particle size distribution. For CISOLID substreams, vapor and
liquid fractions have the value 0.0. This is the layout of a
substream vector for a CISOLID substream:
Array Index Description
1, . . . , NCC Conventional component mole flows (kg-moles/sec)
NCC + 1 Total mole flow (kg-moles/sec)
NCC + 2 Temperature (K)
NCC + 3 Pressure (N/m2)
NCC + 4 Mass enthalpy (J/kg)
NCC + 5 Molar vapor fraction (0.0)
NCC + 6 Molar liquid fraction (0.0)
NCC + 7 Mass entropy (J/kg-K)
NCC + 8 Mass density (kg/m3)
NCC + 9 Molecular weight (kg/kg-mole)
NCC + 10 frac 
. . 
. . M  PSD values (if a PSD attribute is defined for the substream)
. . fracn

NCC + 9 + n
Aspen Plus generates a variable by adding the letter L to the
beginning of the Fortran variable name which you assigned to the
substream or stream vector. The value of this variable is the length
of the vector (NCC + 9 + n). You can use the variable in Fortran
statements, but you cannot change its value.
In Excel Calculator blocks, Aspen Plus assigns the data to a
column, beginning in the cell with the specified name.
Substream NC A substream vector for an NC substream contains:
• Component flows
• Stream conditions
• Component attributes

18-14 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 • An array of values for the PSD (if the substream has a PSD)
NNCC is the number of nonconventional components.
The component order Is the same as on
for
Component flows Components Specifications Selection sheet
Component attributes Properties Advanced NC-Props Property
Methods sheet
Attributes for each component appear in the order specified on the
Properties Advanced NC-Props Property Methods sheet for that
component. All values are in SI units, regardless of the units
specification.
This is the layout of a substream vector for an NC substream:
Array Index Description
1, . . . , NNCC Component mass flows (kg/sec)
NNCC + 1 Total mass flow (kg/sec)
NNCC + 2 Temperature (K)
NNCC + 3 Pressure (N/m2)
NNCC + 4 Mass enthalpy (J/kg)
NNCC + 5 Vapor fraction (0.0)
NNCC + 6 Liquid fraction (0.0)
NNCC + 7 Mass entropy (J/kg-K)
NNCC + 8 Mass density (kg/m3)
NNCC + 9 1.0
NINCC + 10 value 1 

. . . 
.  Values for component attribute 1 of component 1
. . . 

. . value k 
value1 

. 
.  Values for component attribute 2 of component 1
. 

value l 
value1 

. 
.  Values for component attribute 1 of component 2
. 

value m 
frac1 

. 
.  PSD values (if a PSD attribute is defined for the substream)
. 

frac n 

Component You can use the Compattr-Vec and PSD-Vec variable types to
Attributes and PSD access component attribute vectors and PSD vectors of streams.
The layout of the vector is the list of elements for the attribute. See

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-15

 Substream CISOLID and Substream NC for the layout for
substream PSD. See About Component Attributes in chapter 6 for
a description of the elements for each component attribute. You
can also obtain information for the attribute from the Components
Attr-Comps Selection sheet and Properties Advanced NC-Props
Property Methods sheet.

Accessing Block Vectors

You can use the Block-Vec variable type to access column profiles
for the following multi-stage separation models:
In this model Variables depend on
RadFrac Stage and composition
MultiFrac Stage, section, and composition
Extract Stage
PetroFrac Stage, composition, and stripper number
RateFracTM Segment, composition, and accumulator number
BatchFracTM Stage, composition, and operation step
SCFrac Section and composition
You can also use Block-Vec to access the following block result
profiles:
• MHeatX zone analysis
• RBatch time profiles
• RPlug length profiles
Aspen Plus automatically:
• Interprets the Fortran variable you assign to the profile as an
array variable
• Dimensions the variable
Aspen Plus generates a variable by adding the letter L to the
beginning of the Fortran variable name which you assigned to the
block vector. The value of this variable is the length of the array.
You can use the variable in Fortran statements, but you cannot
change its value.
The order of values in the Fortran array depends on which variable
you select. All values are in SI units, regardless of the Units
specifications on the Define sheet.
In Excel Calculator blocks, Aspen Plus assigns the data to a
column, beginning in the cell with the specified name.

18-16 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 The layout for vector variables is dependent on stage, section or
Variables Dependent
segment number follows.
on Stage Number or
Segment Number Array Index Value for
1 Stage or segment 1
2 Stage or segment 2
.
.
N Last stage or segment
N denotes the number of stages or segments in the column.
Examples of variables dependent on stage number are temperature
and flow profiles in RadFrac, MultiFrac Extract, PetroFrac, or
BatchFrac. Examples of vector variables dependent on segment
number are temperature and flow profiles for RateFrac.
Example for Accessing a The temperature profile of a RadFrac block is written to the
Temperature Profile Control Panel, using a Fortran Calculator block.
On the Define sheet of the Calculator block, Fortran variable
TPROF of the type Block-Vec is defined using the Variable
Definition dialog box.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-17

 On the Calculator Calculator sheet, these Fortran statements are
included:
WRITE(NTERM,20)
C* LTPROF IS AUTOMATICALLY GENERATED BY
Aspen Plus *
DO 10 I = 1, LTPROF
WRITE(NTERM,30) I, TPROF(I)
10 CONTINUE
20 FORMAT (’ *** TEMPERATURE PROFILE ***’)
30 FORMAT (10X, I3, 2X, F10.2)
Variables Dependent Examples of vector variables dependent on section number are
on Section Number fractionation index and duty results for SCfrac, and the
sizing/rating results for trays and packings. The layout, where Nsec
denotes the number of sections in the column, is:
Array Index Value for
1 Section 1
2 Section 2
.
.
Nsec Last section

18-18 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 Examples of vector variables dependent on operation step number
Variables Dependent
are distillate and reflux ratio results for BatchFrac. The layout,
on Operation Step
where Nopstep denotes the number of operation steps, is:
Number
Array Index Value for
1 Operation step 1
2 Operation step 2
.
.
Nopstep Last operation step
Variables Dependent Examples of vector variables dependent on component number are
on Component RadFrac thermosyphon reboiler compositions. The layout follows,
Number where NCC denotes the number of components entered on the
Components Specifications Selection sheet. The component order
is the same as on that sheet.
Array Index Value for
1 Component 1
2 Component 2
.
.
.
NCC Last component
Variables Dependent Examples of vector variables dependent on component number and
on Component stage number are liquid and vapor composition profiles in
Number and Stage or RadFrac, MultiFrac, Extract, PetroFrac, or BatchFrac. Examples of
Segment Number vector variables dependent on component number and segment
number are liquid and vapor composition profiles for RateFrac.
The values are stored as one-dimensional arrays. All component
values for stage or segment 1 are at the beginning, followed by all
of the component values for stage or segment 2, and so on. The
number of components and the component order are the same as
on the Components Specifications Selection sheet.
For a column with three components and five stages, the liquid
composition profile is stored as follows:
Array Index Value for
1 Component 1, stage or segment 1
2 Component 2, stage or segment 1
3 Component 3, stage or segment 1
4 Component 1, stage or segment 2
.
.
15 Component 3, stage or segment 5

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-19

 Example for Accessing a The entire liquid mole fraction profile of a RadFrac column with
Mole Fraction Profile three components is accessed. The value for the second component
on the fifth stage is written to the Control Panel, using a Fortran
Calculator block.
On the Define sheet of the Calculator block, Fortran variable
XPROF of the type Block-Vec is defined using the Variable
Definition dialog box.

18-20 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 On the Calculator Calculator sheet, include these Fortran
statements:
WRITE(NTERM,10)
C* TOTAL NUMBER OF COMPONENTS IS 3 *
NCOMP = 3
C* COMPONENT TO BE ACCESSED IS 2 *
ICOMP = 2
C* STAGE TO BE ACCESSED IS 5 *
ISTAGE = 5
C* CALCULATE INDEX INTO XPROF *
II = NCOMP*(ISTAGE-1) + ICOMP
WRITE(NTERM,20) XPROF(II)
10 FORMAT(’ * MOLE FRACTION OF 2ND COMPONENT
ON 5TH STAGE *’)
20 FORMAT(10X,F10.2)
Variables Dependent Examples of vector variables dependent on stage number and
on Stage Number and section number are the profile results of tray rating calculations.
Section Number The values are stored as one-dimensional arrays. All stage values
for section 1 are at the beginning, followed by all stage values for
section 2, and so on. The number of components and the
component order are the same as on the Components
Specifications Selection sheet.
For a column with five stages and three sections, the flooding
approach profile is stored as follows:
Array Index Value for
1 Stage 1, section 1
2 Stage 2, section 1
3 Stage 3, section 1
4 Stage 4, section 1
5 Stage 5, section 1
6 Stage 1, section 2
.
.
.
15 Stage 5, section 3

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-21

 Examples of vector variables dependent on stage number and
Variables Dependent
operation step number are temperature and flow profiles for
on Stage Number and
BatchFrac. The values are stored as one-dimensional arrays. All
Operation Step
stage values for operation step 1 are at the beginning, followed by
Number
all stage values for operation step 2, and so on.
For a BatchFrac block with four stages and three operation steps,
the temperature profile is stored as follows:
Array Index Value for
1 Stage 1, operation step 1
2 Stage 2, operation step 1
3 Stage 3, operation step 1
4 Stage 4, operation step 1
5 Stage 1, operation step 2
.
.
.
12 Stage 4, operation step 3
Variables Dependent Examples of vector variables dependent on component number,
on Component stage number, and stripper number are the stripper composition
Number, Stage profiles for PetroFrac. The values are stored as one-dimensional
Number, and Stripper arrays. All component values for stage 1 of stripper 1 are at the
Number beginning, followed by all component values for stage 2 of stripper
1, and so on. When Nstot is reached for stripper 1, the component
and stage values for stripper 2 begin, and so on. Nstot denotes the
total number of stages for that stripper.
For a PetroFrac block with three components, six stripper stages,
and three strippers, the liquid composition profile is stored as
follows:
Array Index Value For
1 Component 1, stage 1, stripper 1
2 Component 2, stage 1, stripper 1
3 Component 3, stage 1, stripper 1
4 Component 1, stage 2, stripper 1
.
.
18 Component 3, Nstot, stripper 1
19 Component 1, stage 1, stripper 2
.
.
54 Component 3, Nstot, stripper 3

18-22 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 Examples of vector variables dependent on component number,
Variables Dependent
stage number, and operation step number (opstep) are the
on Component
composition profiles for BatchFrac. The values are stored as
Number, Stage
one-dimensional arrays. All component values for stage 1 of
Number, and
opstep 1 are at the beginning, followed by all component values for
Operation Step
stage 2 of opstep 1, and so on. When Nstage is reached for opstep
Number
1, the component and stage values for opstep 2 begin, and so on.
Nstage denotes the number of stages in the column.
For a BatchFrac block with two components, three stages, and four
opsteps, the liquid composition profile is stored as follows:
Array Index Value for
1 Component 1, stage 1, opstep 1
2 Component 2, stage 1, opstep 1
3 Component 1, stage 2, opstep 1
.
.
6 Component 2, Nstage , opstep 1
7 Component 1, stage 1, opstep 2
.
.
24 Component 2, Nstage, opstep 3
Variables Dependent The accumulator composition profile in BatchFrac is the only
on Component vector variable dependent on component number, accumulator
Number, Accumulator number, and operation step number (opstep). The values are stored
Number, and as a one-dimensional array. All component values for accumulator
Operation Step 1 of opstep 1 are at the beginning, followed by all the component
Number values for accumulator 2 of opstep 1, and so on. Naccum denotes
the total number of accumulators in the column. When Naccum is
reached for opstep 1, the component and accumulator values for
opstep 2 begin, and so on.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-23

 For a BatchFrac block with two components, three accumulators,
and four opsteps, the accumulator composition profile is stored as
follows:
Array Index Value for
1 Component 1, accumulator 1, opstep 1
2 Component 2, accumulator 1, opstep 1
3 Component 1, accumulator 2, opstep 1
.
.
6 Component 2, Naccum, opstep 1
7 Component 1, accumulator 1, opstep 2
.
.
24 Component 2, Naccum, opstep 4
MHeatX Profiles You can use the Block-Vec variable type to access the temperature
difference between the hot side and cold side of an MHeatX block:
Variable Description
DT Temperature approach profile,
including points added for phase change points
and points for streams entering and leaving the exchanger
DTBASE Temperature approach profile for base points only.
The length of the vector is the Number of Zones + 1.
The Number of Zones is specified on the MHeatX Input
ZoneAnalysis sheet.
Reactor Profiles You can use the Block-Vec variable type to access RBatch time
profiles and RPlug length profiles for variables such as calculated
temperature and pressure. Values are stored at each output point.
The length of the vector is the number of output points +1.
For example, the temperature profile for an RBatch reactor that
runs for 10 hours with output points each hour would be stored as
follows:
Array Index Temperature at
1 Initial conditions
2 1 hour
3 2 hours
.
.
.
11 10 hours

18-24 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 The output intervals are determined as follows:
Model Output Interval
RPlug Number of Profile Points along the reactor length,
specified on the RPlug Report Profiles sheet
RBatch Time Interval Between Profile Points, specified on
the RBatch Setup Operation Times sheet.

Accessing Property Parameter

Vectors
You can access the vector of coefficients of temperature-dependent
property parameters.
Variable type Description
Un-Cor-Vec Temperature-dependent pure component property
parameter vector
Bi-Cor-Vec Temperature-dependent binary property parameter
vector
Aspen Plus automatically:
• Interprets the Fortran variable you assign to the profile as an
array variable
• Dimensions the variable
Aspen Plus generates a variable by adding the letter L to the
beginning of the Fortran variable name you assigned to the vector.
The value of this variable is the length of the vector.
In Excel Calculator blocks, Aspen Plus assigns the data to a
column, beginning in the cell with the specified name.
Accessed property parameter vectors are always in SI units.
Example for Accessing On the following Define sheet all references are to dataset 1.
Property Parameters
This variable Accesses the
TC Critical temperature of component TOLUENE
HVAP Heat of vaporization of component TOLUENE.
Heat of vaporization is the first element of the
temperature-dependent Watson parameter
DHVLWT.
ANTOIN Antoine vapor pressure coefficients parameter
PLXANT as a vector.
REN12 NRTL parameter vector for the TOLUENE-
PHENOL binary
REN21 NRTL parameter vector for the PHENOL-
TOLUENE binary

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-25

18-26 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide
Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-27
 EO Variables
Variables are the primary entity in the equation-oriented (EO),
problem-solving strategy.
EO variables consist of attributes, whose values are set by the
model. Often referred to as "open" variables, you can change most
of their attribute values.

18-28 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 EO Variable Naming Conventions
Every equation-oriented (EO) model generates variables and
equations that conform to the following general naming format:
[Link]
Where:
blockid is the block name, including hierarchy names, if
appropriate.
variableid is normally BLK, indicating a variable within the
block.
description further specifies the variable (stage location,
component reference, etc.).
Variable and equation names use the names of the blocks, streams,
and components in their names.
Mole Fraction-Based By default, all models are mole fraction-based models. Model
Models variables are divided into these two categories:
• Block variables
• Stream variables (only present in RadFrac blocks)
The general format of block variable names is:
[Link].description_qualifier
The general format of stream variable names is:
[Link]
Where:
blockid is the block name, including hierarchy names, if
appropriate.
streamid is the stream name.
description specifies the variable (stage-location, component
reference, etc.).
qualifier is a description of the variable physical type (flow-
rate, temperature, composition, etc.).
Equations The general format for equation names in the mole fraction-based
models is
[Link].description_qualifier
Where:
blockid is the block name, including hierarchy names, if
appropriate.
description specifies the equation (stage location, component
stream name, etc.).
qualifier is a description of the function of the equation (mass
balance, energy balance, etc.).

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-29

 The general format for equation names in the mole flow-based
models is
[Link].description_qualifier
Where:
blockid is the block name, including hierarchy names, if
appropriate.
Type is one of the following types of equation:
BLKEQN (block)
SPC (specification)
STREQN (stream)
PROPEQN (property)
description is a general description of the function of the
equation (mass balance, energy balance, etc.).
qualifier further specifies the equation (stage location,
component stream name, etc.).
Mole Fraction By default, all models use streams based on component mole
Streams fractions. These streams contain the following variables:
• Total molar flow
• Temperature
• Pressure
• Molar enthalpy
• Molar volume
• Component mole fractions
These variables are named as follows:
[Link].streamid_qualifier
Where qualifier is one of the following:
FLOW Total molar flow, kmol/sec
TEMP Stream temperature, K
PRES Stream pressure, Pa
ENTH Stream enthalpy, Joule/kmol
MVOL Stream molar volume, M3/kmol
compid Component mole fraction, unitless
These variables can also be accessed as a collection named:
[Link]

18-30 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 Feed streams have an additional set of variables which hold the
specifications from the Stream form, plus additional variables
calculated about the stream. These variables are named as follows:
[Link].description_qualifier
streamid is the stream name, including hierarchy block names,
if appropriate.
description specifies the variable
qualifier is a description of the variable physical type (flow
rate, temperature, composition, etc.).
For example, a stream named D with components C2H4 and C2H6
is fed to a Heater model named C2S. The variables associated with
this stream would be named as follows:
[Link].D_MOLES
[Link].D_TEMP
[Link].D_PRES
[Link].D_ENTH
[Link].D_MVOL
[Link].D_C2H4
[Link].D_C2H6
The collection of these variables is named:
[Link]

EO Variable Attributes
These are the attributes of an EO variable:
Attribute Description
Index The absolute index of the variable in the full variable list.
Variable The name of the variable, prefixed with the name of any hierarchy blocks. This is set
by the models and cannot be changed.
For more information on EO variable names, see EO Variable Naming Conventions.
Value The current value of the variable, which is initially determined from the sequential-
modular (SM) run.
Initial The initial value of the variable. This attribute is set just before the solution begins in
the selected run mode.
Change The change in the value of the variable. This attribute is computed just after the
completion of the solution process.
Change = Value – Initial
Units Units of measure (standard Aspen Plus units), based on the physical type of the
variable. Internally, all values are stored in SI units.
Physical type The physical quantity that the variable represents, for example, mole flow,
temperature, or pressure. These types correspond to the standard Aspen Plus types.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-31

Attribute Description
Specification The specification of the variable, which determines how the variable is treated in a
particular run mode:
Constant
Calculated
Measured
Parameterized
Optimized
Reconciled
Independent
During the run in any particular mode, only the specification for that mode is known.
For more information, see EO Run Modes.
Lower bound The minimum allowable value of the variable.
For more information, see Variable Bounds.
Upper bound The maximum allowable value of the variable.
For more information, see Variable Bounds.
Step bound The step bound of the variable, which is used with the initial value, lower bound, and
upper bound attributes to compute the actual bounds used in the EO run.
For more information, see Variable Bounds.
Bound type The type of bounds of the variable, which can be hard, soft, or relaxed.
For more information, see Variable Bounds.
Soft bound Soft-bound weight.
weight For more information, see Variable Bounds.
Internal Scale Variable scale factor. This is a scale factor used internally during the EO solution
phase. This is set by the models and cannot be changed.
Solver Scale Scale factor used by the solver.
Shadow Price Shadow price, which represents the sensitivity of the objective function to the
variable’s active bound, if any. This is determined by the solution engine and cannot
be changed.
For more information, see EO Sensitivity
Marked When checked, you can specify an arbitrary subset of variables to sort. The sorted
subset is placed at the top of the list.
Modified When checked, indicates that the variable has been changed.
Variable Bounds EO strategy allows you to bound any variable in the problem as
follows:
xl ≤ x ≤ xu
The bounds xl and xu are computed from the lower bound, upper
bound, step bound, and initial value of the variable.
Three bound types determine how these bounds are treated:
• Hard
• Relaxed
• Soft

18-32 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 By default, all bounds are treated as Hard.
The DMO solver always enforces the variable bounds during the
Optimization and Reconciliation modes, but does not, by default,
enforce any variables bounds during the Simulation and Parameter
Estimation modes.
The LSSQP solver always enforces Hard bounds, regardless of the
run mode.
When bounds are enforced for a Simulation or Parameter
Estimation mode, an infeasible solution can result if the bounds
and the problem equations cannot be satisfied simultaneously.
Note: Bounds on fixed variables are not ignored.
Hard Bounds Hard bounds allow user-specified lower and upper bounds to be
honored absolutely. The value of the variable will never violate
these limits.
Given a variable with hard bounds and an initial value x, let
xlower, xupper and xstep denote user-specified lower, upper, and
step bounds for this variable. The actual lower and upper bounds,
xl and xy , are:
xl = max( x - |xstep |, xlower)
xy = min(x + |xstep |, xupper )
A problem becomes infeasible if a variable violates one of its hard
bounds by more than the step bound. When the bounds on the
variables are too restrictive, hard bounds can lead to infeasible
solutions. In this case, a script parameter is available to ignore step
bounds, in which case , |xstep| is replaced by infinity in the
formula.
The following script command controls the use of step bounds:
SET STEP_BOUND = status
where status is TRUE by default. To ignore step bounds, set the
status to FALSE.

To change this parameter, enter the command in the Command

Line of the EO Run Setting frame on the Control Panel or use the
EO Configuration Script form.
Relaxed Bounds Relaxed bounds are used to prevent initial infeasibilities by
moving the violated bound. If a variable is initially outside either
the specified lower or upper bound, the violated bound is relaxed
as follows:
xl = x - |x| Rtol if x < xlower
xy = x +|x| Rtol if x > xupper

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-33

 The relaxed bound tolerance, Rtol, is an adjustable parameter with
a default value of zero. Relaxed bounds are important because they
allow for feasible solutions when a variable is initially outside its
bounds.
The following script command sets the value of the relaxed bound
tolerance:
SET RELAX_TOL = expression
where expression is a positive real number. The relaxed bound
tolerance is zero by default.
To change this parameter, enter the command in the Command
Line of the EO Run Setting frame on the Control Panel or use the
EO Configuration Script form.
Soft Bounds The soft bound option allows any violated bounds to be added as a
penalty term to the objective function. The contribution to the
objective function is determined by the soft bound weight attribute
of the variable. This only applies to the Reconciliation and
Optimization run modes
This option creates another model named SFTBND, which creates
additional variables and equations for each violated variable
bound. These are only for internal use and do not appear in any
report file.
The following script command controls the use of soft bounds:
SET SOFT_BOUND = status
where status is FALSE by default. It should always be FALSE for
Simulation and Parameter Estimation cases, but may be TRUE for
Reconciliation and Optimization cases.
To change this parameter, enter the command in the Command
Line of the EO Run Setting frame on the Control Panel or use the
EO Configuration Script form.

Accessing EO Variables
Before you can access EO variables, you must:
1 Complete a simulation run, using the sequential-modular (SM)
strategy.
2 Synchronize the SM solution of the model to its corresponding
equation-oriented (EO) strategy.
Once the synchronization is complete, you can access EO variables
from the:
• EO Variables form
• EO Variables dialog box

18-34 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 Synchronizing the Model
When you change the solution strategy to Equation Oriented (EO),
a synchronization occurs, based on the Sequential Modular (SM)
solution. This synchronization:
• Builds the EO flowsheet
• Initializes all of the EO variable values
To synchronize the EO flowsheet and variables:
1 Choose View | Control Panel in the menu bar.
2 In the Control Panel, click to display the EO controls.
3 In the Control Panel, change the solution strategy to Equation
Oriented.

For example:

When complete, a "Synchronized" status in the Equation Oriented

Synchronization Status area of the EO controls indicates a
successful synchronization.
Now you can access the EO variables.

Using the EO Variables Form

Once you synchronize the model for the Equation Oriented (EO)
solution strategy, you can access the model’s EO variables from the
EO Variables form. This form lists all of the EO variables and their
attributes.
These variables are also available at the block and stream level.
However, when you display the EO Variables for a block or a
stream, only those EO variables associated with that block or
stream are listed. When viewing variables at the block or stream
level, the block name (blockid) is not displayed.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-35

 To display all of the EO variables:
Menu bar Choose Data | EO Configuration | EO
Variables.
EO Shortcuts toolbar Click the key variables button.
Control Panel toolbar Click the key variables button.
These variables are also available at the block and stream level.
However, when you display the EO Variables for a block or a
stream, only those EO variables associated with that block or
stream are listed.
To copy variables from the EO Variables form to other sheets:
1 Right-click the variable name you want to copy, and choose
copy from the shortcut menu.
2 In the sheet you are completing, right-click in the variable
name field, and choose paste from the shortcut menu.
Sorting the Variables You can sort the variable list by any attribute in ascending and
List descending order.
• To sort the list of variables by attribute, double-click the
desired attribute column header.
• To sort a subset of the variable list, check the variable in the
Marked column and double-click the Marked column header.
Customizing the You can determine which attributes are displayed in the EO
Variables List Display Variables form, as well as the left-to-right order of the attributes.
To customize the EO variables form display:
1 In the EO Variables form, right-click on one of the attribute
column headers and choose More from the shortcut menu.

18-36 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 1 The following dialog box appears:

2 Use this dialog box to customize the display. You cannot

change the Index or Variable attributes.
To specify Do this
Which attributes are Select the attribute and click Show or
displayed Hide.
or
Click the checkbox next to the attribute.
The left-right position of the Select the attribute and click Move Up
attribute column (to the left) or Move Down (to the
right).
Note: The first three attributes at the
top of the list (below Index and
Variable) also appear on the Column
short-cut menu.
Width of an attribute Change the number of pixels.
column

Note: You cannot change the order of the Index or Variable

attributes.

You can also use the Column short-cut menu to control the display
of the first three attributes to the right of the Index and Variable
name. Right-click on an attribute column header to display the
short-cut menu and click the desired column header to show or
hide it.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-37

 Using the EO Variables Dialog Box
Anytime you need to specify an EO variable, the field includes a
button, which when clicked, displays the EO variables dialog
box. Use this dialog box to find the variables you want.

Note This feature is available once you synchronize the model

for the Equation Oriented solution strategy.

To use the EO Variables dialog box to access variables:

1 In a Variable field of any EO-related sheet, click .

The EO Variables dialog box appears.

2 Use the toolbar options to locate and display the EO variables.
This toolbar Lets you
option
Go up one level of the hierarchical view.
Display a hierarchical view of the EO variables.
Display a list of EO variables names
Display a detailed list of EO variables that includes the
variable name, its current and initial values, change in value,
units, physical type, specification, lower and upper bounds,
step bound, internal and solver scales, soft bound weight,
bound type, shadow price, and whether its marked or
modified. You can customize this view.
Display grid lines.
Highlight entire row of selected variable.
3 Select the variables you want.

Tip Use the standard Windows Shift-click and Ctrl-click

features to select multiple variables from the displayed list.

Click a column header to sort its contents in ascending or

descending order.

4 Click Select.
The selected variable automatically appears in the sheet.
Customizing the EO You can rearrange and resize the columns in the details view of the
Variables Display EO variables, using standard Windows techniques:
• To rearrange a column, drag the column header left or right to
change the position of the column in the table.

18-38 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 • To resize a column, Drag the right-side column divider of the
column header you want to resize.

Using the Query Dialog Box

Use this dialog box to query the EO variables database and display
the results in the EO Variables dialog box.
You can build your query, using these test conditions:
• Match variable, comparison operator, value condition (default).
• Match variables with a specified modified attribute.
• Match variables in a specified objective function.
Combine simple test conditions with logical operators (AND, OR,
NOT) and brackets to build compound queries.
Example: Building a simple query
To find the EO variables associated with the stream ID4:
1 Click the first test condition and specify:
Variable = *.[Link].*
2 Click Add Condition.
The test condition appears in the text box, for example:

NAME = *.[Link].*
3 Click OK.
Any EO variable matching the test conditions now appears in the
EO Variables dialog box. A status message at the bottom of the
box specifies the total number of pattern matches.
Guidelines for Building When building queries in the Query dialog box, consider the
Queries following:
• Use the logical operators AND and OR to build compound
queries. For example:

VALUE < 10
AND
NAME = *.ID2*
• To change the sense of a test condition, precede the condition
with the logical operator NOT. For example:

VALUE < 10
AND
NOT NAME = *.ID2*
• Right-click in the text box to use the standard editing
commands.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-39

 • If you select a block in the EO Variables dialog box, the
pattern-matching is constrained to the variables of that block.

EO Aliases
Aliases are user-defined alternate names for EO variables. They
offer a convenient way to refer to an EO variable. The alias has a
40-character limit.
To create an alias for an EO variable:
1 Choose Data | EO Configuration | Aliases from the menu bar.
2 In the Aliases Setup sheet, specify the alias name.
3 In the Open Variable field, click to display the EO
Variables dialog box.

Note: This feature is available once you synchronize the model for
the Equation Oriented solution strategy.

4 Use the EO Variables dialog box to select the EO variable the

alias represents.

EO Ports
A port is any collection of variables associated with a block. They
are similar to, but not the same as, streams. A stream is a collection
of variables that represents the flow from one block to the next. All
streams are attached to a port on the block. Not all ports have
streams attached to them.
Ports are useful for defining connections of many variables. They
allow the connection definition to be made with a single command
that refers to the port.
There are five types of ports:
• Material stream (fraction basis) — a mole fraction stream
consisting of the variables for component mole fractions, total
molar flow, temperature, pressure, specific enthalpy and molar
volume. All of the models use the fraction basis for their
material streams.
• Material stream (flow basis) — a mole flow stream consisting
of the variables for component mole flows, total molar flow,
pressure and specific enthalpy
• Heat stream – an information stream consisting solely of the
heat variable

18-40 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 • Work stream – an information stream consisting solely of the
work variable
• Generic collection — a user-defined port of arbitrary variables
You can define your own ports, using any of the five types.
The generic collection may be used for many purposes. For
example, you might create a port that contains the kinetic
parameters for a set of reactions. You could then connect several
copies of this reactor together and perform data reconciliation on
them, while assuring that all used the same kinetics.
Creating a Port You use the Object manager to create ports. Each port has its own
Setup and Advanced sheets, which you use to define the port.
To create and define a port:
1 Choose Data | EO Configuration | Ports from the menu bar.
2 In the Object manager, click New.
3 In the Create new ID dialog box, enter an ID name and click
OK.
4 In the Setup sheet, specify the basic EO port attributes:

Attribute Description
Open Variable The name of the EO variable.
Clicking displays the EO Variable dialog box,
which you can use to select the open variable. You
can also copy and paste variables from any EO
Variables form.
Through When checked, the port includes the set of
consecutive variables starting from the variable in
this row and ending on the variable in the next row.
This checkbox is convenient for including blocks of
variables, such as components.
Initial value The initial value of the EO variable. This value is set
just before the command is made to solve the
problem.
Physical type The physical quantity that the variable represents.
These types correspond to the standard Aspen Plus
types.
Units Units of measure, based on physical type, which
correspond to the standard Aspen Plus units.
Internally, all values are stored in SI units.

Aspen Plus 11.1 User Guide Accessing Flowsheet Variables • 18-41

 5 In the Advanced sheet, specify these EO port attributes, as
appropriate:

Attribute Description
Port type The type of port:
• Material stream (flow basis) — a stream
made up of total molar flow, pressure,
specific enthalpy, and component mole
flows.
• Material stream (fraction basis) — a stream
made up of total molar flow, temperature,
pressure, specific enthalpy, molar volume
and component mole fractions.
• Heat stream — an energy stream.
• Work stream — a power stream.
• Generic collection — a collection of
arbitrary variables.
Components Lets you specify the component group for a material
stream port. This component group should contain
all the components with non-zero flow rates.
The default is to use the global component group
containing all components.
Phase The phase of the material stream port:
• Vapor only
• Liquid only
• Vapor-Liquid (flash required)
• Vapor-Liquid-FreeWater (flash with free
water required)
This is used for connection processing when
connecting a mole-based stream to a mole fraction-
based stream to determine if a flash is necessary.
Vapor-Liquid and Vapor-Liquid-Free Water may
require that a flash be performed when connecting a
mole flow stream to a mole fraction stream.
If unspecified, the phase will be obtained from the
upstream conditions.

18-42 • Accessing Flowsheet Variables Aspen Plus 11.1 User Guide

 C H A P T E R 19

Calculator Blocks and In-Line

Fortran

Overview
The Aspen Plus Calculator block lets you insert your own Fortran
statements or Excel 97 spreadsheet calculations into flowsheet
computations. This section describes:
• Calculator blocks
• Using Fortran in Aspen Plus
• Using Fortran in Calculator blocks
• Using Excel in Calculator blocks
• Identifying flowsheet variables
• Entering Fortran statements or Excel formulas
• Specifying when to execute a Calculator block
• Rules for writing Fortran statements
• Writing to the screen and Aspen Plus files
• Interactive data input
• Retaining variables between iterations and blocks
• EO Usage Notes

About Calculator Blocks

Calculator blocks let you insert Fortran statements or Excel 97
spreadsheets into flowsheet computations to perform user-defined
tasks.
Since Aspen Plus is a sequential modular simulator that executes
one unit operation at a time, you must specify where in the

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-1
 sequence of unit operations each Calculator block is to be
executed. You can do this by specifying one of these:
• Which flowsheet variables are Imported from and Exported to
Aspen Plus by the Calculator block
• The position of the Calculator block in the list of unit operation
blocks
Define a Calculator block by:
1 Creating the Calculator block.
2 Identifying the flowsheet variables that the block samples or
manipulates.
3 Entering the Excel formulas or Fortran statements.
4 Specifying when the Calculator block is executed.

Using Fortran in Aspen Plus

You can use Fortran in Aspen Plus to perform any task that can be
written as valid Fortran expressions.
You can input Fortran expressions in a number of ways in
Aspen Plus:
• In Fortran Calculator blocks
• On the Fortran sheets of other blocks, such as design
specifications, sensitivity or optimization problems
• In external Fortran subroutines
Fortran Calculator blocks:
• Contain Fortran expressions used to perform user-defined tasks
• Can read and/or write flowsheet variables
• Are executed at a specific point in the simulation
Aspen Plus checks your Fortran code interactively as you enter it
so most syntax errors are detected before a run. If the status
indicator on a Fortran sheet is , use Next to find out what is
incomplete.
You can write external User Fortran subroutines when the models
provided by Aspen Plus do not meet your needs. After you compile
these subroutines, they are dynamically linked when the simulation
is run. Aspen Plus allows extensive customization of the models
through the use of these external user subroutines. For more
information on external user subroutines, see Aspen Plus User
Models.
Aspen Plus can interpret most in-line Fortran. Fortran that cannot
be interpreted is compiled and dynamically linked to the

19-2 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 Aspen Plus module. Because dynamic linking is used, the
overhead for in-line Fortran requiring compilation is small.

Note: If the Fortran cannot be interpreted, a Fortran compiler is

needed. For the recommended compiler for a given platform, see
the relevant Aspen Plus installation guide.

Using Fortran in Calculator Blocks

Calculator blocks let you insert Fortran statements into flowsheet
computations to perform user-defined tasks, such as:
• Calculating and setting input variables before they are used
(feedforward control)
• Writing information to the Control Panel
• Reading input from a file
• Writing results to the Aspen Plus report or to any external file
• Calling external subroutines
• Writing your own user models
Define a Fortran Calculator block by:
1 Creating the Calculator block.
2 Identifying the flowsheet variables that the block samples or
manipulates.
3 Entering the Fortran statements on the Calculate sheet.
4 Specifying when the Calculator block is executed.
Creating a Calculator To create a Fortran Calculator block:
Block Using Fortran 1 From the Data menu, point to Flowsheeting Options, then
Calculator.
2 In the Calculator Object Manager, click New.
3 In the Create New ID dialog box, enter an ID or accept the
default, and click OK.
4 On the Calculate sheet, select Fortran (default).
Now identify the flowsheet variables.

Using Excel in Calculator Blocks

Calculator Blocks let you insert Excel 97 Spreadsheets into
flowsheet computations to perform user-defined flowsheet
manipulations.

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-3
 Note: Excel 97 is required to use this feature.
If you want to use Excel to simulate a unit operation block, use the
Excel interface of the User2 block instead of the Excel Calculator.
See Aspen Plus User Models, chapter 5.

Define an Excel Calculator block by:

1 Creating the Calculator block.
2 Identifying the flowsheet variables that the block samples or
manipulates.
3 Entering the Excel formulas on the Calculate sheet.
4 Specifying when the Calculator block is executed.
Since the Excel spreadsheet is connected to Aspen Plus through the
user interface, the user interface must be running in order to run an
Aspen Plus simulation containing an Excel Calculator block.
Creating a Calculator To create an Excel Calculator Block:
Block Using Excel 1 From the Data menu, point to Flowsheeting Options, then
Calculator.
2 In the Excel Calculator Object Manager, click New.
3 In the Create New ID dialog box, enter an ID or accept the
default, and click OK.
4 On the Calculate sheet, select Excel.
Now identify the flowsheet variables.

Identifying Flowsheet Variables

You must identify the flowsheet variables used in a Calculator
block and assign them variable names. A variable name identifies a
flowsheet variable on other Calculator block sheets.
Using the Define Sheet to Use the Define sheet to identify a flowsheet variable and assign it a
Identify Flowsheet variable name. When completing a Define sheet, specify the
Variables variables on the Variable Definition dialog box. The Define sheet
shows a concise summary of all the accessed variables, but you
cannot modify the variables on the Define sheet.
1 To create a new variable, click the New button on the Define
sheet.
– or –
To edit an existing variable, select a variable and click the Edit
button on the Define sheet.
– or –
To create or edit the variable from Excel, on the Calculate

19-4 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 sheet, click the Open Excel Spreadsheet button. In Excel, select
the cell and click the Define button on the Aspen Plus toolbar.
2 Type the name of the variable in the Variable Name field.
A Fortran variable name must:
• Be six characters or less for a scalar variable
• Be five characters or less for a vector variable
• Start with an alphabetic character (A – Z)
• Have subsequent alphanumeric characters (A – Z, 0 – 9)
• Not begin with IZ or ZZ
In Excel Calculator blocks, variable names must:
• Follow the above limitations on Fortran variable names
• Not be a cell reference, such as A1 or R1C1.
Variable names are not case-sensitive in either Fortran or
Excel. For instance, FLOW and Flow refer to the same
variable.
In Fortran, the first letter of the variable name does not affect
its type (integer or real). The type is determined by the type of
the value being referenced.
3 In the Category frame, use the option button to select the
variable category.
4 In the Reference frame, select the variable type from the list in
the Type field.
Aspen Plus displays the other fields necessary to complete the
variable definition.
5 In the Information Flow frame, select whether the variable is to
be imported from Aspen Plus or exported to Aspen Plus from
the Calculator block. For more information, see Import and
Export Variables.
Export variables in recycle loops may instead be marked as tear
variables to indicate that they should be torn for solving the
loops. For more information, see Converging Loops Introduced
by Calculator Blocks.
6 In Calculator blocks, you can specify additional options used in
EO calculations:
• You can specify the EO variable which is connected to this
calculator variable. In order to ensure proper operation of
the Calculator block in EO mode, each defined variable
must be connected to the EO variable corresponding to its
definition. See EO Usage Notes for Calculator.
• You can specify the description of the EO variable in the
calculator block. The EO variable names of calculator

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-5
 block variables will be [Link], where blkid
is the name of the calculator block and description is the
description provided. If you do not provide a description,
Aspen Plus will assign a unique name to the variable based
on its type.
• If you choose a variable in the parameter category, you can
specify the physical type, units, and initial value of the
variable.
7 Click Close to return to the Define sheet.
For more information on accessing variables, see chapter 18.

Tip: Use the Delete button to quickly delete a variable and all of
the fields used to define it. Use the Edit button to modify the
definition of a variable in the Variable Definition dialog box.

Specifying Calculations
The Calculate sheet lets you enter the calculations to be performed.
Select either Excel or Fortran for specifying these calculations.
Entering Fortran You can enter Fortran statements:
Statements and • On the Calculate sheet
Declarations
• In your text editor (for example, Notepad), and then copy and
paste them onto the Calculate sheet
Click the Fortran Declarations button to enter Fortran declarations
in the Declarations dialog box, in the same way you enter
executable Fortran statements on Calculate sheet.
You can include any Fortran declarations in a Calculator block,
such as:
• Include statements
• COMMON definitions
• DIMENSION definitions
• Data type definitions (INTEGER and REAL)
If a Fortran variable meets one of these criteria, you should place it
in a COMMON:
• It is also used by another block.
• Its value must be retained from one iteration of a Calculator
block to another.
Fortran variables that you defined on the Define sheet should not
be declared in the Declarations dialog box.

19-6 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 Using the Calculate To enter executable Fortran statements on the Calculate sheet:
Sheet to Enter Fortran 1 Click the Calculate tab on the Calculator Input form.
Statements To review rules and restrictions for in-line Fortran, see Rules
for In-Line Fortran Statements.
2 Enter your Fortran statements.
3 To ensure that you enter accurate variable names, click the
right mouse button. In the popup menu, click Variable List.
The Defined Variable List window appears. You can drag and
drop the variables from the Defined Variable List to the
Calculate sheet.
Entering Excel Use the Excel option on the Calculate sheet to create an Excel
Formulas spreadsheet embedded in your simulation to hold Excel calculation
formulas.
Cells corresponding to defined variables will be outlined in a
colored box. Import variables will be outlined in green, Export
variables will be outlined in blue, and Tear variables will be
outlined in red. If you define any variables on the Define sheet, be
sure to assign those names to cells in Excel.
Do not enter formulas in cells referenced by Import variables;
these cells will be overwritten by the values imported from Aspen
Plus. In other cells on your spreadsheet, enter the formulas
necessary to calculate your results and place them into the cells
assigned to Export variables.
You may use VBA macros to perform some of your calculations or
other tasks, if you wish. Aspen Plus will only read and write values
on the first sheet, and only initiate calculations there, but you may
use additional sheets to store data, or to perform more involved
calculations.

Specifying When the Calculator

Block is Executed
You must specify when a Calculator block will be executed during
calculations. To do this:
1 On the Calculator Input form, click the Sequence sheet.
2 In the Import Variables field, specify which variables are used
but not changed. In the Export Variables field, specify which
variables are changed. You may have already made these
specifications when you defined the variables, but you may
change them here.
– or –

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-7
 In the Execute field on the Sequence sheet, specify when to
execute the block.
Option When Executed
First At the beginning of a simulation
Before Before a block. Specify the block type and name.
After After a block. Specify the block type and name.
Last At the end of a simulation
Report While the report is being generated
Based on order in As specified on the Convergence Sequence
sequence Specification sheet
Use Import/Export Aspen Plus uses import and export variables to
Variables automatically sequence the Calculator block.
Import and Export Import Variables and Export Variables are used to establish which
Variables of the variables appearing on the Define sheet are only sampled
variables, and which are changed by the Calculator block.
Import Variables establish information flow from the block or
stream containing a sampled (read-only) variable to the Calculator
block.
Export Variables establish information flow from the Calculator
block to Aspen Plus.
If the automatic sequencing logic using Import Variables and
Export Variables does not appear to work properly, use the
Execute statement to specify explicitly when the block is executed.
In Excel Calculator blocks, all variables must be specified as
Import or Export Variables.
If you specify a variable as a Tear Variable on the Variable
Definition dialog box, that variable is also treated as an Export
Variable.

Converging Loops Introduced by

Calculator Blocks
A Calculator block can introduce loops that must be solved
iteratively.
For example, a Calculator block can change an upstream variable
based on the value of a downstream variable. This could occur if
the Calculator block was being used to set a makeup stream based
on the product flowrates.
When you define Excel Calculator blocks, you must specify each
variable as an Import or Export variable. Aspen Plus uses these

19-8 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 specifications to automatically solve any loops introduced by the
block.
In Fortran Calculator blocks that create loops, you must specify
Import Variables and Export Variables for Aspen Plus to detect the
loops and produce correct simulation results.
Aspen Plus automatically solves any loops introduced by the
Calculator block, if you:
• Check the Tear Calculator Export Variables on the
Convergence Conv-Options Defaults Sequencing sheet
• Specify Import Variables and Export Variables on the
Calculator block Variable Definition dialog boxes or Sequence
sheet.
When a Calculator block creates a loop, variables entered as
Export Variables can be torn for convergence in the same way as
recycle streams. Aspen Plus can do this automatically, or you can
specify tear variables.
Specifying Export When a Calculator block creates a loop, variables entered as
Variables as Tear Export Variables can be torn for convergence in the same way as
Variables recycle streams. Aspen Plus can do this automatically, or you can
specify tear variables
To specify an Export Variable as a tear variable:
1 On the Calculator form, click the Tears tab.
2 In the Tear Variable Name field, select a variable you entered
in the Export Variable field on the Sequence sheet.
3 Enter lower and upper bounds for the tear variable in the
Lower Bound and Upper Bound fields.
You may also specify a variable as a tear variable when defining it
in the Variable Definition dialog box.
The tear variable will be solved along with recycle tears to
converge the flowsheet. See Convergence, for more information
on flowsheet convergence.
Example of Calculating The mass flow rate of make-up stream MAKEUP is determined by
Make-Up Flow Rate the amount of benzene in the outlet streams from the flowsheet.
The variables are selected using the Variable Definition dialog
box. In order for the simulation to converge correctly, the Tear
Fortran Export Variables needs to be selected on the Convergence
Conv-Options Defaults Sequencing sheet.

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-9
 Using the specifications above, all five variables are defined as in
the example below:

On the Calculate sheet, Fortran is selected, and these statements

are entered:
F BMAKE = BZIPA + BZH2O + BZVAP
F MAKEUP = BMAKE / BFRAC
On the Declarations dialog box, this declaration is entered:
F REAL*8 BMAKE
On the Sequence sheet, Use import/export variables is selected for
the execution seqeunce. Also, BZIPA, BZH2O, and BZVAP are
specified as Import variables, and MAKEUP is specified as an
Export variable.
On the Convergence Conv-Options Defaults Sequencing sheet,
Tear Calculator Export Variables is selected.

19-10 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 Example of Feedforward A Fortran block is used to set the feedrate of stream HX2 to equal
Control of Stream 75% of the stream HX1.
Feedrate

On the Calculate sheet, Fortran is selected, and this statement is

entered:
F2 = 0.75 * F1
On the Sequence sheet, Use import/export variables is selected for
the execution sequence. Also, F1 is specified as an Import variable,
and F2 is specified as an Export variable.

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-11
 Rules for In-Line Fortran Statements
To achieve successful compilation of your Fortran statements,
follow these rules:
• By default, variables beginning with A through H, or O
through Z, are double precision real. Variables beginning with
I through N are integer. Use double precision functions (for
example, DSQRT) and double precision constants (for
example, 1D0).
• Do not use variable names beginning with IZ or ZZ.
• Because Fortran is column-sensitive, this table shows how to
do certain things:
To do this Use
Indicate comments Column one for C and leave column two
blank
Enter statement labels Only columns three, four, and five
Begin executable statements Column seven or beyond
• You can call your own subroutines or functions. You can use
labeled or blank (unlabeled) COMMON blocks.
• Fortran variables you define on the Specification sheet cannot
be placed in a COMMON.
• Do not use IMPLICIT, SUBROUTINE, ENTRY, RETURN,
END statements, nor arithmetic statement functions.
Disabling Syntax By default, Aspen Plus interactively checks your Fortran
Checking statements. You can turn off interactive syntax checking. You
might need to do this, for example, if you are using a compiler that
accepts nonstandard Fortran extensions, or if the syntax checker
incorrectly flags correct Fortran as incomplete.
To turn off Fortran syntax checking:
1 From the Tools menu, click Options.
2 Ensure the Check Inline Fortran for Syntax Errors checkbox is
clear.

19-12 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 Writing to the Screen and Aspen Plus
Files
In Fortran WRITE statements, you can use the following
predefined variables for the unit number:
Unit Destination
NTERM Control Panel (if running from the user interface)
Terminal (if running interactively outside of the user
interface), or
Log file (if running batch)
NRPT Aspen Plus report
NHSTRY Simulation history
Examples:
For writing to the Control Panel, enter:
WRITE(NTERM, *) A, B, C, X
For writing to the report file, enter:
WRITE(NRPT, *) A, B, C, X
If writing to the Aspen Plus report from a Fortran Calculator block,
select Report in the Execute field on the Sequence Sheet. Output
written to the report file will appear in the Flowsheet section of the
Calculator block report.
When writing to a user-defined file, use a Fortran unit number
between 50 and 100.
Excel Calculator blocks do not have the ability to write to the
Control Panel or Aspen Plus report or history files, but you may
use VBA macros to display information in dialog boxes.

Interactive Read Statements

In Fortran READ statements you can use the predefined variable
NTERM for the unit number for interactive input.
This table shows what the predefined variable does:
If you are running Then READ (NTERM )
interactively
From the user interface Displays a dialog box accepting up to one
line of input
Outside the user interface Pauses for input from the terminal

Note: Do not read from NTERM when running batch.

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-13
 In Excel Calculator blocks, use a VBA macro to create a dialog
box for interactive input.
Example of Interactive A Fortran Calculator block pauses for user input of the temperature
READ from a Fortran for block HX1 before executing the block.
Calculator block
The following form defines the variable HX1TEM as the
temperature input specification for block HX1:

These Fortran statements read HX1TEM from interactive screen

input, and echo the value to the control panel:
READ(NTERM,*) HX1TEM
WRITE(NTERM,*) ’TEMPERATURE ENTERED’,
1’ FOR BLOCK HX1 WAS ’,HX1TEM,’ F’
The Sequence sheet specifies that HX1TEM is a write variable, so
that Aspen Plus can sequence the Calculator block, and Use
import/export variables is selected.

Retaining Variables Between

Iterations and Blocks
Place a Fortran variable in a COMMON (on the Declarations
sheet) if you want to do one of the following:
• Retain the value of the variable from one calculation pass to
another
• Use the same variable in more than one block
The COMMON statement must appear in each block where the
variable is used.

19-14 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 In Excel Calculator blocks, all data in the Workbook at the end of
one calculation pass is present when the block is next started,
except that the Import variables will be overwritten by new values
from Aspen Plus.

About the Interpreter

By default, Aspen Plus will interpret in-line Fortran if it is
possible. Fortran that cannot be interpreted is compiled and linked
into a shared library or dynamic link library (DLL). A Fortran
compiler is needed for compiling the code. It is possible to
compile all of the Fortran by selecting Write Inline Fortran to a
Subroutine to be Compiled and Dynamically Linked on the Setup
SimulationOptions System sheet.
The following Fortran can be interpreted:
• All declarations besides COMMON statements
• Arithmetic expressions and assignment statements
• IF statements
• GOTO statements, except assigned GOTO
• WRITE statements that use the built-in unit number variables
NTERM, NRPT, or NHSTRY
• FORMAT statements
• CONTINUE statements
• DO loops
• Calls to these built-in Fortran functions:
DABS DERF DMIN1 IDINT
DACOS DEXP DMOD MAX0
DASIN DFLOAT DSIN MIN0
DATAN DGAMMA DSINH MOD
DATAN2 DLGAMA DSQRT
DCOS DLOG DTAN
DCOSH DLOG10 DTANH
DCOTAN DMAX1 IABS
You can also use the equivalent single precision or generic
function names. But, Aspen Plus always performs double precision
calculations.
If you use the following statements, you must enter them on the
Declaration sheet:

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-15
 • REAL or INTEGER statements
• DOUBLE PRECISION statements
• DIMENSION statements
• COMMON statements
The following statements require compilation:
CALL ENTRY PRINT
CHARACTER EQUIVALENCE RETURN
COMMON IMPLICIT READ
COMPLEX LOGICAL STOP
DATA PARAMETER SUBROUTINE

About External Fortran Subroutines

External user Fortran is an open and extensive customization
capability in Aspen Plus. An Aspen Plus user model consists of
one or more Fortran subroutines that you write yourself when the
models provided by Aspen Plus do not meet your needs. A proper
argument list is needed in the subroutine to interface your user
model to Aspen Plus.
You can write the following kinds of user models for use in
Aspen Plus:
External Fortran Use
Application Types
User Unit Operation Units not represented by Aspen Plus unit
Models operation models
Kinetic Models Reactors, Reactive Distillation, Pressure Relief
Physical Property Pure and mixture, activity models, KLL, user
Models equations-of-state
Stream Properties Special properties to be calculated for a stream
Unit Operation Reactor heat transfer, column hydraulics,
Customization LMTD correction, pressure drop, liquid-liquid
distribution coefficients
Customized Reports User-defined stream report, user block reports,
applications based on the Summary File Toolkit
Sizing and Costing User cost blocks
Templates that include the argument list and other useful code for
starting a user model are provided in the Templates directories
where Aspen Plus is installed. For more information on how to
write a user model, see Aspen Plus User Models.

19-16 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 EO Usage Notes for Calculator
The Calculator block runs in EO mode only via the Perturbation
Layer. In addition, there are the following restrictions:
• Calculator blocks using the Excel interface are not supported in
EO.
• Vector variable specifications are not supported in EO.
• Execute-time specifications are ignored by the Perturbation
Layer, except that Calculator blocks specified to run during the
creation of the report file will do so.
• Calculator block flash specifications cannot be modified from
EO variables, but any flashes specified in the block will be
carried out when it is executed by the Perturbation Layer.
• Calculator blocks used in EO mode should not manipulate
outlet stream variables of blocks, or modify accessed variables
(such as in Fortran statements like T=T+10). This type of
manipulation is only appropriate for tear streams in SM
calculations.
To specify that a calculator block should only be used for SM
initialization calculations, on the EO Options sheet, click
Additional Options, then select Neither; ignore block during EO
solution in the Solution method field.
Connecting Calculator Variables in EO Mode

Defined stream variable specifications are converted into EO

connection equations between accessed variables and the
Calculator block variables. Each accessed variable must be either
read from (import) or written to (export), but not both. The EO
variables for import variables will have specification Constant. The
EO variables for export variables and internal variables will have
specification Calculated.
Important: Defined block variables are not automatically
converted to EO connection equations. In order to ensure proper
operation of the Calculator block in the Perturbation Layer, you
need to make an explicit connection between the Calculator EO
variable and the external EO variable corresponding to the
definition. To make this connection, specify the external EO
variable in the Variable Definition dialog box when creating or
modifying the variable from the Define sheet. If necessary,
perform an EO synchronization to generate EO variable names.
For import variables, the calculator variable will be the destination
and the block variable will be the source in the EO Connection.
For export variables, the block variable will be the destination and
the calculator variable will be the source.

Aspen Plus 11.1 User Guide Calculator Blocks and In-Line Fortran • 19-17
19-18 • Calculator Blocks and In-Line Fortran Aspen Plus 11.1 User Guide
 C H A P T E R 20

Sensitivity

Overview
This chapter contains information about:
• Sensitivity analysis
• Sequential-modular sensitivity
• Equation-oriented sensitivity

About Sensitivity Analysis

Sensitivity analysis is a tool for determining how a process reacts
to varying key operating and design variables. You can use it to
vary one or more flowsheet variables and study the effect of that
variation on other flowsheet variables. It is a valuable tool for
performing "what if" studies. The flowsheet variables that are
varied must be inputs to the flowsheet. They can not be variables
that are calculated during the simulation.
You can use sensitivity analysis to verify if the solution to a design
specification lies within the range of the manipulated variable. You
can also use it to perform simple process optimization.
Both sequential-modular (SM) and equation-oriented (EO)
strategies support sensitivity analysis.

Aspen Plus 11.1 User Guide Sensitivity • 20-1

 SM Sensitivity
This section explains how to use sequential-modular (SM)
sensitivity analysis to examine the sensitivity of a process to key
variables, including:
• Defining a sensitivity block
• Specifying sampled and manipulated variables
• Defining tabulated variables
• Optional Fortran statements
• Examples
About Sensitivity You can use sequential-modular (SM) sensitivity blocks to
Blocks generate tables and/or plots of simulation results as functions of
feed stream, block input, or other input variables. Sensitivity
analysis results are reported in a table on the Sensitivity Results
Summary sheet. The first n columns of the table list the values of
the variables that are varied, where n is the number of varied
flowsheet variables entered on the Sensitivity Input Vary sheet.
The remaining columns in the table contain the values of variables
that you tabulated on the Tabulate sheet. The tabulated results can
be any flowsheet variable or any valid Fortran expression that may
depend on flowsheet variables that are either input or calculated.
The results can be plotted using the Plot Wizard to easily visualize
the relationships between different variables.
Sensitivity blocks provide additional information to base-case
results, but have no effect on the base-case simulation. The
simulation runs independently of the sensitivity study.
Sensitivity blocks with more than one varied variable generate a
row in the sensitivity table for each combination of values. If you
are interested in the sensitivity to more than one variable with each
varied independently, use a separate sensitivity block for each
varied variable.
Sensitivity blocks create loops that must be evaluated once for
each row of the sensitivity table. Aspen Plus sequences sensitivity
blocks automatically. Or, you can sequence a sensitivity block
using the Convergence Sequence Specifications sheet.
Accessed scalar flowsheet variables are in the units set selected for
the sensitivity block. You cannot modify the units individually for
different variables in the sensitivity. You can either change the unit
set for the sensitivity block (on the toolbar of the Data Browser), or
enter an expression on the tabulate sheet to convert the variable.
Accessed vector variables are always in SI units.

20-2 • Sensitivity Aspen Plus 11.1 User Guide

 Defining a Sensitivity Block
Define a sensitivity block by:
1 Creating the sensitivity block
2 Identifying the sampled flowsheet variables
3 Identifying the input variables to manipulate to generate the
table
4 Defining what you want Aspen Plus to tabulate
5 Entering optional Fortran statements
Creating a Sensitivity To create a sensitivity block:
Block 1 From the Data menu, click Model Analysis Tools, then
Sensitivity.
2 On the Sensitivity Object Manager, click New.
3 In the Create New ID dialog box, enter an ID or accept the
default, and click OK.
Identifying the For each sensitivity block you must identify the flowsheet
Sampled Flowsheet variables and assign them variable names. You can either tabulate
Variables these variables or use them in Fortran expressions to compute
tabulated results. The variable name identifies the flowsheet
variable on other sensitivity sheets.
Use the Define sheet to identify a flowsheet variable and assign it a
variable name. When completing a Define sheet, specify the
variables on the Variable Definition dialog box. The Define sheet
shows a concise summary of all the accessed variables, but you
cannot modify the variables on the Define sheet.
On the Define sheet:
1 To create a new variable, click the New button.
– or –
To edit an existing variable, select a variable and click the Edit
button.
2 Type the name of the variable in the Variable Name field.
If you are editing an existing variable and want to change the
variable name, click the right mouse button on the Variable
Name field. On the popup menu, click Rename. A variable
name must:
• Be six characters or less for a scalar variable
• Be five characters or less for a vector variable
• Start with an alphabetic character (A – Z)
• Have subsequent alphanumeric characters (A – Z, 0 – 9)
• Not begin with IZ or ZZ

Aspen Plus 11.1 User Guide Sensitivity • 20-3

 3 In the Category frame, use the option button to select the
variable category.
4 In the Reference frame, select the variable type from the list in
the Type field.
Aspen Plus displays the other fields necessary to complete the
variable definition.
5 Click Close to return to the Define sheet.
For more information on accessing variables, see chapter 18.

Tip: Use the Delete button to quickly delete a variable and all of
the fields used to define it.
Use the Edit button to modify the definition of a variable in the
Variable Definition dialog box.

Identifying Use the Vary sheet to identify the flowsheet variables to vary in
Manipulated generating a table. You can only vary block input variables,
Flowsheet Variables process feed stream variables, and other input variables. You must
specify values, or a range of values, for the varied variables.
You can manipulate integer variables, such as the feed location of
a distillation column. You can specify up to five manipulated
variables.
To identify manipulated variables and specify values:
1 On the Sensitivity Input form, click the Vary sheet.
2 In the Variable Type field, select a variable type.
Aspen Plus takes you to the remaining fields necessary to
uniquely identify the flowsheet variable.
3 Specify a list or range of values for the manipulated variable.
You can enter one of the following:
• List of values
• Lower limit, Upper limit, and number of equally spaced
points (# Points)
• Lower limit, Upper limit, and increment between points
(Incr)
You can enter either a constant or a Fortran expression.
4 You have the option of labeling the varied variables for the
report and the Results Summary sheet. Use the Line1 through
Line4 fields to define these labels.
5 To identify additional variables, select New from the list in the
Variable Number field. Repeat Steps 2 through 5.
Aspen Plus generates one row of the table for each combination of
varied variable values. The number of possible combinations can

20-4 • Sensitivity Aspen Plus 11.1 User Guide

 be large, resulting in excessive computer time and storage
requirements. For example, 10 points for each of the maximum of
five variables would result in 100,000 evaluations of the sensitivity
block loop.
Each manipulated variable must already have been entered as an
input specification, or it must have a default value.
Defining Tabulated Use the Tabulate sheet for defining the results you want
Variables Aspen Plus to tabulate, and supplying column headings.
To define tabulated variables:
1 On the Sensitivity Input form, click the Tabulate sheet.
2 In the Column Number field, enter a column number.
3 In the Tabulated Variable or Expression field, enter a variable
name or Fortran expression.
Aspen Plus tabulates the variable, or the result of the
expression, for each combination of manipulated variables.
To ensure that you enter accurate variable names, click the
right mouse button. In the popup menu, click Variable List.
The Defined Variable List window appears. You can drag and
drop the variables from the Defined Variable List to the Fortran
sheet.
4 To enter optional labels, click the Table Format button. In the
first four rows, supply column labels for any or all of the
columns of tabulated results.
5 Use the two Unit Labels rows to enter units labels for the
tabulated results.
6 If the tabulated results expression is entered as a single variable
name on the Specification sheet, Aspen Plus generates unit
labels automatically.
7 Click Close to close the Table Format dialog box.
8 Repeat Steps 2 through 6 until you define all the results you
want to tabulate. There is no limit.
Reinitializing Blocks By default, Aspen Plus begins the calculations for a new row using
and Streams the results of the previous row. If blocks or recycle loops fail to
converge for some rows, you can specify that the calculations are
to be reinitialized for each row.
Reinitializing Blocks To reinitialize blocks:
1 On the Sensitivity Input form, select the Optional tab.
2 In the Blocks to be Reinitialized field, select either Include
Specified Blocks or Reinitialize All Blocks.

Aspen Plus 11.1 User Guide Sensitivity • 20-5

 3 If you choose Include Specified Blocks, select the unit
operation blocks and/or the convergence blocks to be
reinitialized.
Reinitializing Streams To reinitialize streams:
1 On the Sensitivity Input form, select the Optional tab.
2 On the Streams To Be Reinitialized field select either Include
Specified Streams or Reinitialize All Streams.
3 If you choose Include Specified Streams, select the streams to
be reinitialized.
Entering Optional You have the option of entering Fortran statements to compute
Fortran Statements tabulated results and the varied variable range. Any variable
computed by a Fortran statement can be used in expressions on the
Tabulate and Vary sheets. Fortran statements are needed only if
functions are too complex to enter on these sheets.
You can enter Fortran statements:
• On the Fortran sheet
• In your text editor (for example, Notepad), and then copy and
paste them onto the Fortran sheet
Using the Sensitivity To enter executable Fortran statements on the Fortran sheet:
Input Fortran Sheet
1 On the Sensitivity Input form, click the Fortran sheet.
2 Review the rules and restrictions for in-line Fortran
3 Enter your Fortran statements.
To ensure that you enter accurate variable names, click the
right mouse button. In the popup menu, click Variable List.
The Defined Variable List window appears. You can drag and
drop the variables from the Defined Variable List to the Fortran
sheet.

Fortran Declarations
Enter Fortran declarations in the same way as executable Fortran
statements, using the Declarations sheet instead of the Fortran
sheet.
You can include any Fortran declaration in a Sensitivity block,
including:
• COMMON definitions
• DIMENSION definitions
• Data type definitions (INTEGER and REAL)
If a Fortran variable meets one of these criteria, you should place it
in a COMMON:

20-6 • Sensitivity Aspen Plus 11.1 User Guide

 • It is also used by another block.
• Its value must be retained from one iteration of a sensitivity
block to another.
Fortran variables that you defined on the Define sheet should not
be declared on the Declarations sheet.
Example for Tabulating Tabulate the effect of temperature in RGibbs block REACT on the
Reaction Selectivity selectivity of component ESTER versus ETOH in the reactor
versus Reactor outlet. Assume that an initial specification for the temperature of
Temperature block REACT has been entered on the RGibbs Setup
Specifications sheet.

Aspen Plus 11.1 User Guide Sensitivity • 20-7

20-8 • Sensitivity Aspen Plus 11.1 User Guide
 The selectivity which is the ratio of FESTER to FALC can be
entered as a Fortran expression FESTER/FALC on the Tabulate
sheet.

Aspen Plus 11.1 User Guide Sensitivity • 20-9

20-10 • Sensitivity Aspen Plus 11.1 User Guide
 EO Sensitivity
Like sequential-modular (SM) sensitivity, equation-oriented (EO)
sensitivity provides a mechanism for analyzing flowsheet behavior.
The equation-oriented strategy computes the sensitivity between a
set of independent and dependent variables. The resulting
sensitivity is the derivative or gain between the variables.
With SM sensitivity it is necessary to reconverge the entire
flowsheet for each point on the sensitivity plot. EO sensitivity
gives only the derivatives of the dependent variables with respect
to the independent variables. This is the slope of the curve at the
current operating point.
For example, you could use an EO sensitivity block to find how
much additional duty and what the change in composition would
be if there were a change in the reflux flow of a column. If the
problem were set up such that the reflux flow is either fixed or a
degree of freedom, then this would be the independent variable.
The duty variables and composition variables would be calculated
and then listed as dependent variables. The results would be four
derivatives or gains. The gains would have units of delta-
dependent variable units/ delta-independent variable units. In this
example, the gain for the duty with respect to reflux flow may have
units of (MMBtu/hr) / (lb/hr), that is, (MMBtu/lb. The UOM
defined for each dependent and independent variable determines
the units of the gains.
To perform an EO sensitivity analysis:
1 Create an EO sensitivity object.
2 Specify the independent and dependent EO variables.
3 Select optional specifications, such as:
• An objective function
• Evaluate the Jacobian
• Force variable specifications
4 Calculate the sensitivity between the variables and view the
results.
Creating an EO To create an EO sensitivity object:
Sensitivity Object 1 From the menu bar, click Data | EO Configuration | EO
Sensitivity.
2 In the Object manager, click New.
3 In the Create new ID dialog box, enter an ID or accept the
default, and click OK.

Aspen Plus 11.1 User Guide Sensitivity • 20-11

 Configuring the Set of EO To perform EO sensitivity, you must specify a set of independent
Variables and dependent equation-oriented (EO) variables, whose
relationships in the flowsheet you are studying. For example, the
variables could be controller inputs and outputs for validating
controller gains or degree-of-freedom variables to see their impact
on the objective function.
Use the Configuration sheet to specify the set of independent and
dependent EO variables.

Note: Before you can access EO variables, you must synchronize

the model for the Equation Oriented (EO) solution strategy.

To specify the set of EO variables on the EO Sensitivity

Configuration sheet:
• Click anywhere in the Independent or Dependent variable field
and click . Use the EO Variables dialog box to select the
desired variables.
• Copy and paste variable names from any EO variables form.
• Type the EO variable name in the field.
Selecting an Objective Specifying an objective function can be useful for observing the
Function economic impact of your independent variables. For an
independent variable at a bound, the sensitivity of the objective
function with respect to the independent variable is equal to the
shadow price of the variable, which may be observed in the EO
Variable grid at the optimization solution.
To select an objective function for the EO sensitivity analysis:
• On the EO Sensitivity Configure sheet, select the objective
function from the list or create a new objective function for the
analysis.
Evaluating the Jacobian EO sensitivity uses the current value of the Jacobian (derivative
matrix) to calculate the sensitivity. It does not need to recompute
the model solution. However, you may want the system to evaluate
the Jacobian each time the sensitivity analysis is performed. This
insures that the Jacobian is up-to-date when the sensitivity analysis
is performed.
For very large problems, this may be too time consuming, but you
must insure that a Jacobian is available, either from a previous EO
solution or from manually evaluating the Jacobian matrix by
entering EVALUATE JACOBIAN at the command line in the
Control Panel.
To evaluate the Jacobian before sensitivity analysis is performed:

20-12 • Sensitivity Aspen Plus 11.1 User Guide

 • On the EO Sensitivity Configure sheet, click the checkbox next
to "Evaluate Jacobian."
Forcing Variable Optionally, you can force the variable specifications for the
Specifications selected set of EO variables. You would need to do this if the
problem is not specified the way you want to perform the
sensitivity.
For example, the problem is set to calculate the outlet temperature
of a block at a fixed vapor fraction, but you want the derivative of
the vapor fraction with respect the temperature. In this case, select
the temperature as the independent variable and the vapor fraction
as dependent and check the "Force variable specifications"
checkbox. This swaps the specifications for these variables before
the sensitivity analysis is performed.
It is important that you understand what is going on with these
specification swaps since the system does not trap errors in these
spec swaps. You can always set up spec groups to do the spec
swaps and only enable them when you need sensitivities. This will
ensure that all swaps are valid and square.
To force variable specifications:
• On the EO Sensitivity Configure sheet, click the checkbox next
to "Force variable specifications."
Calculating EO After you specify the set of independent and dependent equation-
Sensitivity and oriented variables and select any optional specifications, calculate
Viewing Results the sensitivity between the variables and view the results.
To calculate EO sensitivity and view the results:
1 On the Control Panel, make sure the solution strategy is
Equation Oriented.
2 Click the Execute Sensitivity Analysis button and select
the Sensitivity object you want to evaluate.
3 On the EO Sensitivity form of the selected object, display the
Results sheet and click the Calculate Sensitivity button.
4 The results of the sensitivity analysis are displayed on the
Results sheet.

Aspen Plus 11.1 User Guide Sensitivity • 20-13

 For example:

20-14 • Sensitivity Aspen Plus 11.1 User Guide

 C H A P T E R 21

Design Specifications:
Feedback Control

Overview
This chapter provides information about:
• Sequential-modular design specifications
• Equation-oriented specification groups

SM Design Specs
Use design specifications as feedback controllers in your
simulation. This section describes:
• What are design specifications?
• Creating design specifications
• Specifying targeted variables
• Specifying manipulated variables
• Optional Fortran statements

About Design Specifications

A design specification sets the value of a variable that Aspen Plus
would otherwise calculate. For example, you may want to specify a
product stream purity or the permissible amount of an impurity in a
recycle stream. For each design specification, you identify a block
input variable, process feed stream variable, or other simulation
input to be manipulated (adjusted) to meet the specification. For
example, you might manipulate a purge rate to control the level of

Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-1
 impurities in a recycle stream. Design specifications can be used to
simulate the steady state effect of a feedback controller.
When you use a design specification, you specify a desired value
for a flowsheet variable or some function of flowsheet variables.
The flowsheet variables used in a design specification are called
sampled variables. For each design specification, you must also
select a block input variable or process feed stream variable to be
adjusted to satisfy the design specification. This variable is called
the manipulated variable.
The design specification achieves its objective by manipulating an
input variable specified by the user. Quantities that are calculated
during the simulation should not be varied directly. For example,
the stream flow rate of a recycle stream cannot be varied; however,
the split fraction of an FSplit block where the recycle stream is an
outlet can be varied. A design specification can only manipulate
the value of one input variable.
Design specifications create loops that must be solved iteratively.
By default Aspen Plus generates and sequences a convergence
block for each design specification. You can override the default
by entering your own convergence specifications.
The value of the manipulated variable that is provided in the
Stream or Block input is used as the initial estimate. Providing a
good estimate for the manipulated variable will help the design
specification converge in fewer iterations. This is especially
important for large flowsheets with several interrelated design
specifications.
The objective of the specification is that it equals the calculated
value (Specified Value - Calculated Value = 0). The specification
can be any valid Fortran expression involving one or more
flowsheet quantities. Specifications must also have a tolerance
within which the objective function relation must be satisfied.
Therefore, the actual equation that must be satisfied is
| Specified Value - Calculated Value | < Tolerance
There are no results associated directly with a specification other
than whether the objective function equation was satisfied or not.
The final value of the manipulated an/or sampled variables can be
viewed directly on the appropriate Stream or Block results sheets.
The summary and iteration history of the Convergence block can
be found by selecting the Results sheet of the appropriate
Convergence block.

21-2 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
 Defining a Design Specification
There are five steps involved in defining a design specification:
1 Creating the design specification
2 Identifying the sampled flowsheet variables used in the
specification.
3 Specifying the target value for a sampled variable or some
function of sampled variables and a tolerance.
4 Identifying a simulation input variable to be adjusted to
achieve the target value, and specifying the limits within which
it can be adjusted.
5 Entering optional Fortran statements.
Creating a Design To create a design specification:
Specification 1 From the Data menu, point to Flowsheeting Options, then
Design Specs.
In the Design Specification Object Manager, click New.
2 In the Create New ID dialog box, enter an ID or accept the
default, and click OK.
Click the Browse buttons and complete the required sheets.
Identifying Sampled Use the Flowsheeting Options Design Spec Define sheet to
Flowsheet Variables identify the flowsheet variables used in the design specification
and assign them variable names. The variable name identifies the
flowsheet variable on other design specification sheets.
Use the Define sheet to identify a flowsheet variable and assign it a
variable name. When completing a Define sheet, specify the
variables on the Variable Definition dialog box. The Define sheet
shows a concise summary of all the accessed variables, but you
cannot modify the variables on the Define sheet.
On the Define sheet:
1 To create a new variable, click the New button.
or
To edit an existing variable, select a variable and click the Edit
button.
2 Type the name of the variable in the Variable Name field. If
you are editing an existing variable and want to change the
variable name, click the right mouse button on the Variable
Name field. On the popup menu, click Rename. A variable
name must:
• Be six characters or less for a scalar variable
• Be five characters or less for a vector variable

Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-3
 • Start with an alphabetic character (A – Z)
• Have subsequent alphanumeric characters (A – Z, 0 – 9)
• Not begin with IZ or ZZ
3 In the Category frame, use the option button to select the
variable category.
4 In the Reference frame, select the variable type from the list in
the Type field.
Aspen Plus displays the other fields necessary to complete the
variable definition.
5 Click Close to return to the Define sheet.
See Accessing Flowsheet Variables for more information on
accessing variables.

Tip: Use the Delete button to quickly delete a variable and all of
the fields used to define it.
Use the Edit button to modify the definition of a variable in the
Variable Definition dialog box.

Entering the Design To enter the design specification:

Specification 1 On the Design Spec form, click the Spec sheet.
2 In the Spec field, enter the target variable or Fortran
expression.
3 In the Target field, specify the target value as a constant or
Fortran expression.
4 In the Tolerance field, enter the specification tolerance as a
constant or Fortran expression.
The design specification is:
Spec expression = Target expression
The design specification is converged when:
– Tolerance < Spec expression – Target expression < Tolerance
If you need to enter more complex Fortran than can be handled in a
single expression, you can enter additional Fortran statements. See
Entering Optional Fortran Statements.

Tip: To ensure that you enter accurate variable names, click the
right mouse button on the Spec, Target, or Tolerance field. In the
popup menu, click Variable List. The Defined Variable List
window appears. You can drag and drop the variables from the
Defined Variable List to the Spec sheet.

21-4 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
 Identifying the Use the Vary sheet to identify the manipulated variable and specify
Manipulated Variable its limits. The limits for manipulated variables can be constants or
functions of flowsheet variables.
To identify the manipulated variable and specify limits:
1 On the Design Spec form, click the Vary sheet
2 In the Type field, select a variable type.
Aspen Plus takes you to the remaining fields necessary to
uniquely identify the flowsheet variable.
3 In the Lower field, enter a constant or Fortran expression as the
lower limit for the manipulated variable.
4 In the Upper field, enter a constant or Fortran expression as the
upper limit for the manipulated variable.
You must have already entered the manipulated variable as an
input specification, or it must have a default value. The initial
guess used for the manipulated variable is this specification or the
default. You cannot manipulate integer block input variables, such
as the feed location of a distillation column.
If the design specification cannot be met because the solution is
outside the limit range, Aspen Plus chooses the limit that most
closely meets the specification.
Entering Optional You have the option of entering any Fortran statements needed to
Fortran Statements compute the design specification terms or manipulated variable
limits. Any variable that is computed by the Fortran statements can
be used in the expressions on the Spec and Vary sheets. Fortran
statements are needed only if the functions involved are too
complex to enter on the Spec and Vary sheets.
You can enter Fortran statements:
• On the Fortran sheet
• In your text editor (for example, Notepad), and then copy and
paste them onto the Fortran sheet
Enter Fortran declarations in the same way as executable Fortran
statements, using the Declarations sheet instead of the Fortran
sheet.
You can include any Fortran declarations in a Design Spec block,
such as:
• Include statements
• COMMON definitions
• DIMENSION definitions
• Data type definitions (INTEGER and REAL)

Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-5
 If a Fortran variable meets one of these criteria, you should place it
in a COMMON:
• It is also used by another block.
• Its value must be retained from one iteration of a block to
another.
Fortran variables that you defined on the Specification sheet
should not be declared on the Declarations sheet.
Using the Fortran To enter executable Fortran statements on the Fortran sheet:
Sheet 1 On the Design Spec form, click the Fortran sheet.
2 Use Help to review rules and restrictions for in-line Fortran.
3 Enter your Fortran statements.
To ensure that you enter accurate variable names, click the
right mouse button. In the popup menu, click Variable List.
The Defined Variable List window appears. You can drag and
drop the variables from the Defined Variable List to the Fortran
sheet.

Troubleshooting Design
Specifications
If the objective function was not satisfied, there are a number of
options to consider:
• Check to see that the manipulated variable is not at its lower or
upper bound.
• Verify that a solution exists within the bounds specified for the
manipulated variable, perhaps by performing a sensitivity
analysis.
• Check to ensure that the manipulated variable does indeed
affect the value of the sampled variable.
• Try providing a better starting estimate for the value of the
manipulated variable.
• Narrowing the bounds of the manipulated variable or loosening
the tolerance on the objective function might help convergence.
• Try changing the characteristics of the Convergence block
associated with the design specification (step size, number of
iterations, etc.)
• Make sure that the objective function does not have a flat
region within the range of the manipulated variable.
Example for Feedback Manipulate the temperature of RGibbs block REACT to control
Control of Reactor the selectivity of component ESTER versus ETOH at a value of
Selectivity

21-6 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
 2.50 ± 0.01. This example assumes that temperature was specified
for block REACT on the RGibbs Setup Specification sheet. The
RGibbs specification becomes the initial estimate for the design
specification.
• The molar flow rate of ESTER and of ETOH in stream PROD
are the sample variables. These variables are called FESTER
and FALC, respectively.
• The design specification is FESTER/FALC = 2.50.
• The design specification is satisfied when |FESTER/FALC -
2.50| < 0.01.
• Fortran expressions such as FESTER/FALC can be used in any
part of the specification expression: the spec, the target or the
tolerance.
• The reactor temperature is the manipulated variable. The
design specification convergence block will find the reactor
temperature that makes FESTER/FALC=2.5.
• The temperature is specified in the reactor block just as if there
were no design specification. The specified value is the initial
estimate used by the design specification convergence block.
• The design specification convergence block will not try a
temperature less than 50F or greater than 150F, even if the
solution to the objective function lies outside this range. The
limits become alternative specifications if the design
specification cannot be achieved. The initial estimate entered in
the reactor block lies within these limits.
• You do not have to specify convergence of the design
specification. Aspen Plus will automatically generate a
convergence block to converge the specification.

Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-7
21-8 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
 Example for Design A design specification designates that the inlet and outlet entropies
Specification with of a Heater block HX1 are equal. The temperature of HX1 is
Variable Tolerance and chosen as the manipulated variable. Temperature limits cannot be
Limits set a priori, but it is known that the isentropic temperature will be
within 75oF of the inlet temperature. The tolerance for the
specification is a function of the entropy.
• The inlet and outlet entropy and the inlet temperature of the
block HX1 are the sample variables. The entropy of the inlet
stream HX1-IN is called SIN. The outlet entropy of the outlet
stream HX1-OUT is called SOUT. The temperature of stream
HX1-IN is called TIN.
• The design specification sets the inlet entropy SOUT equal to
the inlet entropy SIN.

Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-9
 • The tolerance is specified as the variable TOL. TOL is
specified as 0.0001 times the absolute value of the entropy of
the inlet stream SIN on the Design Spec Fortran sheet.
• The design specification is satisfied when |SOUT - SIN| <
TOL.
• The temperature is specified in the Heater block just as if there
were no design specification. The specified value is the initial
estimate used by the design specification convergence block.
• The design specification convergence block will not try a
temperature less than the inlet temperature TIN - 75F or greater
than TIN + 75F, even if the solution to the objective function
lies outside this range. The limits become alternative
specifications if the design specification cannot be achieved.
The initial estimate entered in the reactor block lies within
these limits.
• You do not have to specify convergence of the design
specification. Aspen Plus will automatically generate a
convergence block to converge the specification.

21-10 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-11
21-12 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
 Example for Adjusting the The heat of reaction for the hydrogenation of ethylene is known to
Standard Enthalpy of be -32700 cal/mol at 298 K. Aspen Plus predicts a value of -32570.
Formation to Achieve a Since it is possible to access physical property parameters (see
Desired Heat of Reaction Chapter 19, Accessing Variables), a design specification is used to
adjust the Standard Enthalpy of Formation to achieve the desired
heat of reaction.
In Aspen Plus, the heat of reaction is calculated as the difference in
enthalpy of the pure components. Since the Standard Enthalpy of
Formation (pure component parameter DHFORM) is used to
calculate vapor and liquid enthalpies, adjusting DHFORM will
similarly adjust the heat of reaction.

Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-13
21-14 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
 EO Spec Groups
EO spec groups are essential features in equation-oriented
modeling. A Spec Group allows the user to change the
specification of the problem to answer the question that the
simulation is designed to solve. It is analogous to the spec and vary
of a Design Spec in SM simulation. The main difference is that
while an SM spec and vary requires an additional convergence
loop to solve (guess the value of the vary; calculate the spec; refine
the guess of the vary; repeat), a spec group changes the
specification of variables directly and the solver uses this
specification instead of the original specification to solve.

Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-15
 Examples

An SM flowsheet might change specifications for a distillation

column from "rating mode" to "design mode". That is, spec the top
and bottom composition and vary the reflux and distillate. To do
this in EO, set up a spec group that frees the reflux and distillate
(change the specification to "Calculated") and fixes the top and
bottom composition (Changes the specifications to Constant,
Optimized, or Independent).
Another example that is more difficult to do in SM would be to fix
the outlet conditions of a flowsheet and calculate the required feed.
For example you may know (or be controlling) the outlet pressure
of a stream and want to calculate the pressure of the feed. There
may be compressors, flash drums, distillation columns and valves
along the way that would make it difficult to predict the pressure
drops along the way. In EO, you start with an SM specification that
predicts the outlet pressure of each unit operation as a function of
the inlet pressure and the operating conditions of the equipment.
Then you build a spec group that fixes the outlet pressure (makes it
constant) and frees the inlet pressure (makes it calculated). You are
then free to change the outlet pressure to any value that does not
cause impossible operation on any of the equipment in between.
Choosing Variables The important things to consider when making a spec group are:
for a Spec Group • The specifications of the variables
• The physical (mathematical) relationship between the variables
In a typical spec group you will make one calculated variable
constant and one constant variable calculated. This is important
(and required) to keep the math well specified. (It is possible to
make more complex spec groups since you can also add degrees of
freedom.)
It is also important that the variables in a spec group have a
significant relationship between them. If, for example, changing
the temperature of a stream has no effect on the pressure, you can
not arbitrarily fix the pressure and calculate the temperature.
One way of ensuring that variables are related is to perform EO
sensitivity on the variable pairs. If you solve a base case (in EO)
and then specify the variables you want to be calculated (but are
now constant) as independent variables and the variables you wish
to make constant (but are now calculated) as dependent variables
in the EO sensitivity, you can directly see the relationship between
the variables.
If the derivative (gain) of a pair is zero or very small, then there is
little relationship between the variables. If you were to make a spec
group between variables with a zero gain, the EO system of

21-16 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
 equations would become singular and the solver would not
converge to a useful answer. If the gain were small but not zero,
then after the spec group was applied, small changes in the
constant variable would cause large changes in the calculated
variable.
For example, consider a nearly pure component in a flash at
constant pressure. Changing the vapor fraction has little effect on
the temperature. Fixing the temperature and calculating the vapor
fraction would allow small errors in the temperature to cause large
changes in the vapor fraction.
Creating a Spec To create a spec group:
Group 1 Enter a name for the spec group on the Spec Groups form.
2 Select the spec group and click Edit.
3 In the Define Spec Groups dialog box, enter a description for
the spec group, select the variables, and select their
specifications.
4 Click Close to close the dialog box.
You can use the Spec Groups form in the top-level EO
Configuration form (for spec groups which can span across an
entire flowsheet), the form in a Hierarchy block (for spec groups
limited to variables of that Hierarchy block or blocks and streams
under it), or the form in a single block (for spec groups limited to
variables of that block).
Spec groups are processed in the order that they appear on each
Spec Groups form. Spec Groups within blocks are processed
before Spec Groups in the hierarchy blocks containing them, and
those are processed before the top level EO Configuration form.
When the same variable appears in more than one Spec Group, the
last specification processed for that variable overrides others.
On the Spec Groups form, the Enabled checkbox for each spec
group determines whether that spec group will be applied when
you run the problem. Clear this checkbox to temporarily remove a
Spec Group from your problem.
Modifying a Spec Group To modify a Spec Group, select it on the Spec Groups form and
click Edit. Add a variable to the spec group by specifying its name
in the Variable field of an empty row. To remove a variable from a
spec group, select it in the Define Spec Groups dialog box, click
the right mouse button, then click Delete Row.
Defining Specifications To define specifications for variables in a spec group, choose a
for Variables specification in the User spec field on the Define Spec Groups
dialog box.

Aspen Plus 11.1 User Guide Design Specifications: Feedback Control • 21-17
 Examples

A controller controls the outlet temperature of a reactor by

adjusting the flow of cooling water (using a valve that is not
modeled in the simulation). In the SM flowsheet, the cooling water
flow rate is fixed and the reactor outlet temperature is calculated.
This is a "rating mode" type of specification.
To simulate the control system, make a spec group to calculate the
required cooling water flow for a fixed temperature. In the spec
group, fix the outlet temperature by making its specification
Constant.
If this temperature setpoint is important to the economics of the
plant, you may want to optimize it in an EO optimization run. To
do so, set its specification to Optimized.
If there is some error in the measurement, to use the redundancy of
several measurements to determine the most likely actual
operation, perform an EO reconciliation run. To include this
temperature in the data reconciliation problem, make the
specification Reconciled.
If this temperature were to fall into both the category of a
Reconciled variable as well as an Optimized variable, use the
specification Independent. In this case the variable would be a
degree of freedom in both the Reconciliation mode and the
Optimization mode.
Specifying Values for After you have set the specifications for the variables in a spec
Fixed Variables group, any variables that are now Fixed need specified values.
Specify these values on the on the EO Input forms at the level of
the block, hierarchy, or plant. You can specify the variables on any
EO Input form where they are accessible, but usually they should
be specified at the same level as the spec group.
EO Input forms within blocks are processed before the forms in the
hierarchy blocks containing them, and those are processed before
the top level EO Configuration form. When the same variable
appears in more than one EO Input form, the last value set for that
variable overrides others.
In an online application, variables may get new values from the on-
line database. This is configured in Aspen Plus OnLine.

21-18 • Design Specifications: Feedback Control Aspen Plus 11.1 User Guide
 C H A P T E R 22

EO Run Modes

Overview
EO works well when all variables are "near" the solution.
However, EO is not suited to solving a simulation without good
estimates for all variables. Thus, before you solve your flowsheet
in EO, you must initialize it in SM.
SM initialization does not require a completely converged SM
solution. The minimum requirement is that each block be solved
once. How tightly the SM flowsheet must be solved to ensure a
robust EO formulation is problem-dependent.
This section contains information about the following topics:
• The Four Equation-Oriented (EO) Run Modes
• EO Simulation Run Mode
• EO Parameter Estimation Run Mode
• EO Reconciliation Run Mode
• EO Optimization Run Mode
• Fixed, free, and degree-of-freedom variables
• Net specification
• EO variable specifications
• EO objective functions
• Selecting degree-of-freedom variables
• Other EO Variable Attributes
• Parameter Estimation Versus Reconciliation
• Measurements
• Configuring Specifications for Measurements
• Measurements that Pass Information to the Model
• Measurements that Report Information from the Model

Aspen Plus 11.1 User Guide EO Run Modes • 22-1

 • Measurements that Pass Information Differently in Different
Modes
• Troubleshooting

The Four Equation-Oriented (EO) Run

Modes
Aspen Plus EO run modes enable users to rapidly develop plant
models using open-form model equations. Open-form (equation-
oriented) plant models permit the same model to be used for
several different types of applications:
• EO Simulation calculates plant operation for a given set of
specifications. For example, for a given feed (or product) and
operating parameters, compute the products (or a feed).
• EO Parameter Estimation computes values of the model
parameters for given operating conditions. For instance,
computation of heat transfer coefficients in a heat exchanger
train is an example of parameter estimation. The solution to the
parameter estimation mode problem is typically the starting
point for the reconciliation or optimization mode.
• EO Reconciliation performs data reconciliation to determine
those values of the model variables that minimize deviations
between plant measurements and the values determined by the
model equations. The objective function in this mode is usually
a least squares minimization. This mode may have many
degrees of freedom.
• EO Optimization manipulates a subset of simulation variables
related to plant operating conditions to maximize profit. This
mode has degrees of freedom where an objective function such
as cost or profit is being minimized or maximized.
Both the EO Optimization and EO Reconciliation modes have
independent variables or degrees of freedom that are manipulated
by the solution engine to minimize or maximize an objective
function.
EO Simulation Run This mode has no degrees of freedom. It can be set up as a rating
Mode or design mode. If fact, model specifications are much more
flexible in EO than they are in SM. The Simulation mode is
usually set up as a square version of the Optimization mode. That
is, it will solve the problem for fixed values of the degree-of-
freedom variables without the need for an objective function to
drive the solution.
The first step in developing a general plant model is to prepare and
solve (or partly solve) a conventional SM model using the standard

22-2 • EO Run Modes Aspen Plus 11.1 User Guide

 SM strategy. After solving the problem with an SM simulation,
switch to the EO strategy and solve the problem in the Simulation
mode. The SM simulation provides an initial starting point for the
EO calculations and eliminates the need to provide initial guesses
for the open-form model.
EO Optimization Run The EO Optimization run mode is used when an objective function
Mode such as profit is being maximized or when an objective function
such as cost is being minimized. Because this mode involves the
manipulation of plant operating conditions to optimize an objective
function, it has degrees of freedom. Parameters determined during
an EO Parameter Estimation mode or an EO Reconciliation mode
are fixed.
EO Parameter As in the EO Simulation mode, the EO Parameter Estimation run
Estimation Run Mode mode is a square problem. But in the EO Parameter Estimation
mode, inputs and certain outputs are fixed and model parameters
are computed. The EO Parameter Estimation mode is a model
tuning mode. The solution to an EO Parameter Estimation problem
is typically the starting point for EO Reconciliation or EO
Optimization problem.
EO Reconciliation The EO Reconciliation mode is used for model tuning, so that the
Run Mode model will more closely resemble real-world conditions by making
the model specifications more closely correspond to actual plant
measurements.
The EO Reconciliation mode typically minimizes a least-squares
objective function representing the deviation between model
predictions and plant measurements. This mode may have many
degrees of freedom.

Fixed, Free, and DOF Variables

Each EO variable is always in one of three states: Fixed, Free, or
Degree of Freedom. The state is based on the variable specification
and the Run Mode.
Status Description
Fixed The solver cannot adjust the variable value. It is a
fixed input.
Free The solver calculates the variable value. Any
value you enter before the solution begins is used
as a starting guess.
Degree of Freedom The solver is free to move the variable to adjust
(DOF) the objective function.

Aspen Plus 11.1 User Guide EO Run Modes • 22-3

 The degrees of freedom in a problem are defined as:
DOF = NVAR − NFIX − NEQN
Where:
DOF = Degrees of freedom
NVAR = Number of variables
NFIX = Number of fixed variables
NEQN = Number of equations
If a problem has zero degrees of freedom, then the problem is
square and there is, in general, only one solution. If the problem
has more than zero degrees of freedom, then the problem has many
solutions. In this case, the degrees of freedom may be used to
minimize an objective function.
If the problem has less than zero degrees of freedom, then the
problem is overspecified and there is no solution.

Net Specification
The net specification of a problem is defined as:
NSPEC = NVAR − NEQN − NFIX – NDOF
Where:
NSPEC Net specification
NVAR Number of variables
NEQN Number of equations
NFIX Number of fixed variables
NDOF Number of degree-of-freedom variables
If the net specification is zero and there are no degree-of-freedom
variables, then the problem is square, and solution can be
attempted by nonlinear equation solvers. If there are degree-of-
freedom variables, they may be used to minimize or maximize an
objective function.
When Aspen Plus initializes EO from an SM simulation, the
problem from SM is square and all the variable specifications are
either Constant or Calculated. The variables that are Constant are
determined by the quantities specified in the input forms.
In both SM and EO, it is often desirable to change which variables
are Constant and which are Calculated. In SM, this is often done
with a Design-Spec. Adding a Design-Spec often introduces an
additional convergence loop to the SM simulation.
In EO, the variable specifications can be changed directly on the
input forms. This is done through Spec Groups. Spec Groups

22-4 • EO Run Modes Aspen Plus 11.1 User Guide

 require that the net specification remains unchanged within the
Spec Group to ensure that the problem remains well defined.
Degrees of freedom for optimization may be created by making a
Constant variable Reconciled, Optimized, or Independent. These
specifications will create degrees of freedom in the Reconciliation
or Optimization modes. The Simulation and Parameter Estimation
modes are square.
If the net specification is greater than zero, then the problem is
underspecified and has many solutions. If the net specification is
less than zero, then the problem is overspecified and there is no
solution. If an attempt is made to solve an EO simulation that is
underspecified (if using DMO)* or overspecified, Aspen Plus will
issue an error message to the Control Panel, and will not attempt to
solve the simulation. Since EO simulations are square when they
are initialized from SM, the underspecification or overspecification
must have been caused by user changes to variable specifications.

Note: LSSQP can solve underspecified problems.

Aspen Plus 11.1 User Guide EO Run Modes • 22-5

 EO Variable Specifications
The fundamental difference between the run modes is how the
variables are treated. Variables may be fixed, free or degree of
freedom.
This is referred to as the variable specification. You select how a
variable is to be treated for each mode by changing the variable
specification from among the seven possible specifications. The
variable specification is an attribute of the variable.
The Aspen Plus models define default specifications for all
variables, so you need to enter specifications only for the variables
you wish to change.
Specifications cannot be set arbitrarily, but must obey rules
imposed by degrees of freedom. The specification is a one-word
description of the variable’s status in each mode. A summary of the
allowable specifications follows:
Variable Specification Mode

Simulation Parameter Reconciliation Optimization

Estimation
Calculated Free Free Free Free
Constant Fixed Fixed Fixed Fixed
Measured Free Fixed Fixed Free
Parameterized Fixed Free Free Fixed
Optimized Fixed Fixed Fixed Degree of Freedom
Reconciled Fixed Fixed Degree of FreedomFixed
Independent Fixed Fixed Degree of FreedomDegree of Freedom

EO Objective Functions
The objective function is an equation that is used in EO
reconciliation and optimization modes to determine how to
manipulate the degrees of freedom in a problem. You may have
more than one objective function in a problem, but only one is
used by the engine during the solution. Aspen Plus has three
different kinds of EO objective functions.
Use this type To create this type of objective function
Custom A user-defined objective function. For example,
variable1 * 0.5 {$/kg} – sqrt(variable2) * 0.1{$/kg}
Linear The sum of variable values times costs.
Sum-of-squares The sum of squared weighted variable deviations.

22-6 • EO Run Modes Aspen Plus 11.1 User Guide

 Define the objective function on the EO Configuration Objective
sheet.
The objective function has the following attributes:
Attribute Description
Name The name of the objective function, 8 characters
maximum
Direction Direction for the optimization. This is either
MAXIMIZE or MINIMIZE and is set by the user.
Normally, profit objective functions are maximized
and reconciliation objective functions are
minimized.
Value The value of the objective function.
Initial Value The initial value of the objective function. This
value is set just before the command is made to
solve the problem.
Scale Objective function scale factor. This is a scale factor
used internally by Aspen Plus during the solution
phase.
Units Units of measure; 20 characters maximum.
Defining an EO 1 From the Data Browser, select the EO Configuration folder,
Objective Function and then select the Objective folder.
The EO Configuration Objective Object Manager appears:
2 On the Objective Object Manager click Add to add a new
objective function.
The Create new ID dialog box appears.
3 Specify a name and choose one of the three types of objective
function.
4 In the Select type field, click and select the type of
objective function (Custom, Linear, or Sum of Squares) you
wish to use.
The Create new ID dialog box is complete.
5 Click OK.
The EO Configuration Objective Setup sheet for the new
objective function appears.
6 Choose whether the objective function should be minimized or
maximized. You may also specify units and a scale factor for
the objective function.

Aspen Plus 11.1 User Guide EO Run Modes • 22-7

 The other specifications are different for each type of objective
function.
• For a Custom objective function, enter an expression that
defines the objective function, in terms of EO variable names
or aliases and standard mathematical operators and functions.
• For a Linear objective function, for each term enter a name; an
EO variable name, alias, or objective function; a cost factor;
and optionally units for the cost.
• For a Sum-of-squares objective function, for each term enter a
name; an EO variable name, alias, or objective function; the
mean value of the term; and the standard deviation of the
offset. Optionally, enter a physical type and units for the term.
For Linear and Sum-of-squares objective functions, you can clear
the Enabled checkbox for any term to remove it from the
calculation of the objective function without removing it from the
form.
To specify variable names in Linear and Sum-of-squares objective
functions, you can click to use the EO Variables dialog box to
choose a variable, or copy and paste variable names from any EO
variables form.
Setting an EO From the Data Browser, select the Objective folder to open the
Objective Function Objective Object Manager.
for a Run
In the Optimization field, click and select the id of the
objective function. This will set the objective function used by the
solver when the problem is run in Reconciliation or Optimization
mode.

Selecting Degree-of-Freedom
Variables
You can define the variables that will be degrees of freedom
during Reconciliation and Optimization mode runs.
Set the Variable to To be Degree of Freedom in
Optimized Optimization mode
Reconciled Reconciliation mode
Independent Reconciliation and Optimization modes

22-8 • EO Run Modes Aspen Plus 11.1 User Guide

 Other EO Variable Attributes
In addition to the specification, variables have other attributes that
may be set through the EO input forms:
From the Data Browser, select the EO Configuration folder, then
select EO Input.
The EO Configuration EO Input sheet appears.
You may specify values for the attributes of the variables as listed
below:
Attribute Description
Value The initial value of the variable. If the variable is free during the select mode, the
solution engine may change the value.
Lower Bound The minimum allowable value of the variable.
Upper Bound The maximum allowable value of the variable.
Step Bound A rate of change limit on the variable. This represents the maximum amount by which
a variable may change during a solution. The solution engine uses the most restrictive
of the Lower, Upper, and Step bounds.
Physical Type The physical type of the variable. This field is required to change the UOM.
UOM The units of measure of the variable. The default UOM is the units selected for the
Aspen simulation. This may be changed to any Aspen Plus unit valid for the
variable’s physical type specified by the Physical Type attribute.
Bound Type Bound type for the variable.
Hard (the default):indicates that the bound will be respected at all times.
Relaxed: indicates that the bound may be relaxed, that is, moved to the current
variable value, if violated at the start of the solution.
Soft: indicates that any violation of the bound is multiplied by the soft bound weight
and added to the objective function.
Soft Bound Weighting factor used when the Bound Type is Soft.
Weight
Scale Multiplicative scale factor used by the solver.
Although the upper and lower bounds may be specified for all
variables, they are not always enforced. Whether or not the
bounds are enforced (and if so, how they are enforced) depends on
the mode and choice of convergence algorithm. A detailed
discussion of the EO convergence algorithms and their treatment
of bounds in the various modes is beyond the scope of on-line
help. For more information, refer to the Equation Oriented
Modeling Reference Manual.

Aspen Plus 11.1 User Guide EO Run Modes • 22-9

 Parameter Estimation Versus
Reconciliation
The purpose of parameter estimation and reconciliation is to adjust
the model to match the plant data prior to optimization. This helps
to ensure proper modeling of the plant and thus provides more
accurate solutions to the optimization problem.
In parameter estimation, certain measurements are selected to
update the model. As many measurements are used as there are
available model parameters. This problem is normally square and
has no objective function.
In reconciliation, all available measurements are included in the
problem. Degrees of freedom are created that include both
operating conditions and model parameters. Thus, reconciliation
has many degrees of freedom. An objective function is created that
consists of the sum of the squared measurement errors:
2
 plant − model 
∑  σ


where
plant Value of the plant measurement
model Value of the model prediction of the measurement
σ Standard deviation of the measurement
The standard deviation is used to tune the reconciliation. Reliable
measurements are given small standard deviations; unreliable
measurements are given large standard deviations. This allows for
small offsets between the plant and model variables for the reliable
measurements and large offsets for the unreliable measurements.

Measurements
Measurements allow the use of process data in a model calculation,
either sequential-modular or equation-oriented. Each measurement
has three variables, whose names include the blockid of the
measurement block and the tag which identifies each
measurement.
• Plant (named [Link].tag_PLANT)
• Model (named [Link].tag_MODEL)
• Offset (named [Link].tag_OFFSET)
These variables are related by an equation: offset = plant – model.

22-10 • EO Run Modes Aspen Plus 11.1 User Guide

 The model variable is related by a connection equation to a unit
operation model open (EO) variable called the source variable. As
a result, the source variable and the model variable always have the
same value. Depending on the mode of operation, either of these
two variables may be used to set the other. A measurement may
also be connected a closed (SM) variable. If this variable is not
specified, the measurement has no effect on the SM solution.
The Measurement model may also be connected to a unit operation
model closed variable. If a closed variable is not specified, the
Measurement model has no effect on the SM solution.
The plant variable is supplied with an initial value from the plant
data, but again depending on the mode of operation, this value may
or may not be retained.
The following figure shows the relationship between the unit
operation model and the measurement model.

Unit Operation Measurement

Model Model

Source Connection
Variable equation Model Plant

Offset
equation

Offset

When a measurement is configured, a name for the Measurement

block and a name for each measurement tag are provided.
Measurement processing automatically creates the three
aforementioned variables named as follows:
• [Link].tag_PLANT
• [Link].tag_MODEL
• [Link].tag_OFFSET
Measurements are versatile and can be used in several different
ways. These uses fall into three general classes:

Aspen Plus 11.1 User Guide EO Run Modes • 22-11

 • Measurements that pass information from the plant to the
model
• Measurements that report information from the model
• Measurements that do both in different modes

Configuring Specifications for

Measurements
When you define measurements, it is important to set the
specifications for the variables properly. The measurement
contains three variables (plant, model, and offset) and one equation
which is used to calculate one of these variables from the other
two, which are either constant or calculated from some other
source.
One way to set these specifications is to set the Calculate option in
the Measurement block. The options available, and their effects on
the variable specifications are:
Calculation Plant Variable Model Variable Offset Variable
Option Specification Specification Specification
Calc-Model Constant Calculated Constant
Calc-Offset Constant Constant Calculated
(calculated from model)
Calc-Plant Calculated Constant Constant
(calculated from model)
Param-Offset Measured Constant Parameterized
(calculated from model)
For some types of measurements, you will need to set the
specifications of the measurement block variables in a Spec Group.
A convenient way to think of these specifications is relative to the
specification the source variable would have in the absence of the
measurement. This specification is reflected in the plant and offset
variables as follows:
Initial Specification of Plant Variable Offset Variable
Source Variable Specification Specification
Calculated Measured Parameterized
Constant Constant Constant
Measured Measured Constant
Parameterized Constant Parameterized
Optimized Optimized Constant
Reconciled Constant Reconciled
Independent Optimized Reconciled

22-12 • EO Run Modes Aspen Plus 11.1 User Guide

 When the plant and offset variables are both fixed, the model
variable is calculated from them and the source variable is
calculated from the model variable. When either the plant variable
or the offset variable is calculated, the offset equation is used to
calculate it, and the model variable is calculated from the source
variable. In this case, the source variable is calculated from the rest
of the model.

Measurements that Pass Information

to the Model
There are three ways to send a value from the plant into the model:
• Send a constant value to the model
• Set the initial value of an optimized variable in the model
• Set the initial value of a reconciled variable in the model
Sending a Constant In this type of measurement, a model variable which would have
Value to the Model been fixed without the measurement is instead calculated based on
the value of the plant measurement.
To create this type of measurement, choose the Calc-Model option
for that measurement. This sets the model variable to be Calculated
and the plant and offset variables to be Constant. The value of the
plant variable is set by the data read from the plant, and the offset
is usually zero. The source variable is then calculated from the
model variable. The net effect is that the value taken from the plant
is used to specify the value of the source variable in the model.
Setting the Initial In this type of measurement, a model variable which would have
Value of an Optimized had an Optimized value has its initial value set by the plant data,
Variable and then that variable is optimized.
To create this type of measurement, choose the Calc-Model option
for that measurement. This calculates the model variable from the
plant variable as in sending a constant value to the model. Then
define a Spec Group and set the plant variable to be Optimized and
the model and source variables to be Calculated. The offset
variable remains constant at zero. The initial value of the plant
variable is taken from the plant data, and in Optimization mode,
the optimizer then adjusts this value based on the objective
function.
This type of specification can be used in combination with
reconciliation of the same model variable (an initial specification
of Independent).

Aspen Plus 11.1 User Guide EO Run Modes • 22-13

 Setting the Initial In this type of measurement, a model variable which would have
Value of a Reconciled had a Reconciled value has its initial value set by the plant data,
Variable and then that variable is reconciled.
To create this type of measurement, choose the Calc-Model option
for that measurement. This calculates the model variable from the
plant variable as in sending a constant value to the model. Then
define a Spec Group and set the offset variable to be Reconciled
and the model and source variables to be Calculated. The value of
the plant variable remains constant at the value taken from the
plant data. In Reconciliation mode, the optimizer then adjusts the
value of the offset variable, and the model variable changes
accordingly. It is usually this offset variable which appears in the
objective function for Reconciliation mode.
This type of specification can be used in combination with
optimization of the same model variable (an initial specification of
Independent).
Setting the Initial In this type of measurement, a variable which is both optimized
Value of an and reconciled has its initial value set by plant data. Without the
Independent Variable measurement, you would set the specification of such a variable to
Independent.
To create this type of measurement, choose the Calc-Model option
for that measurement. This calculates the model variable from the
plant variable as in sending a constant value to the model. Then
define a Spec Group and set the plant variable to be Optimized, the
offset variable to be Reconciled and the model and source variables
to be Calculated. This allows the optimizer to adjust the plant
variable in Optimization mode and the offset variable in
Reconciliation mode.

Measurements that Report

Information from the Model
Measurements of this type are used to calculate offsets during
model tuning and apply them as model configurations are changed.
Usually the source variable is one that is calculated from other
variables in the model.
To create a measurement of this type, choose the Param-Offset
option for that measurement. The plant variable will be Measured
and the offset variable will be Parameterized. In Parameter
Estimation and Reconciliation modes, the offset will be calculated
from the model and the fixed plant variable. In Simulation and
Optimization modes, the plant variable will be calculated from the
model and the fixed offset variable.

22-14 • EO Run Modes Aspen Plus 11.1 User Guide

 Measurements that Pass Information
Differently in Different Modes
When measurements are attached to EO variables which would
have been Measured or Parameterized without the measurement,
the plant data may be passed into the model or not, depending on
the run mode.
Measurements on Some measurements are used to calculate parameters in tuning
Measured Variables modes.
To create such a measurement, choose the Calc-Model option for
the measurement. Then create a Spec Group which sets the plant
variable to Measured, and some other variable in the model to
Parameterized.
In Parameter Estimation and Reconciliation modes, the plant and
offset variables will be fixed and the model variable will be
calculated from them, and the parameter you choose will be
calculated. In Simulation and Optimization modes, the parameter is
fixed, the model variable is calculated from the model, and the
plant variable will be calculated from the model and the fixed
offset variable.
Measurements on It is unusual to have measurements on Parameterized variables
Parameterized because it is usually not possible to measure such variables in the
Variables plant.
To create such a measurement, choose the Calc-Model option for
the measurement. Then create a Spec Group which sets the offset
variable to Parameterized, and some other variable in the model to
Measured. The offset will be calculated in Parameter Estimation
and Reconciliation modes, and the measured variable in the model
will be calculated in simulation and optimization modes.

EO Troubleshooting
Case 1: EO problem is not incorporating the results of an SM
design-spec, optimization, or balance block.
Case 2: EO problem is not using data specified on EO Input or EO
Options forms after a reinitialization or change in SM problem
specifications.

Aspen Plus 11.1 User Guide EO Run Modes • 22-15

 EO Troubleshooting: EO problem is not incorporating the results of an SM design-spec,
Case 1 optimization, or balance block.
Cause 1

The SM flowsheet operation is manipulating a stream variable that

is not a feed stream to the process. The specification is overwritten
by the results of another block.
Solution 1

Change the specification of the flowsheet operation so it

manipulates a feed stream to the process.

Note: A "feed stream" inside a hierarchy block is not really a feed

stream; the attached stream outside the hierarchy block is feeding
into it. In this case, the variables of the stream inside the hierarchy
block are set to match the values of the corresponding stream
outside the hierarchy block. A manipulation of this stream should
be placed outside the hierarchy block and should manipulate the
stream outside the hierarchy block.

Cause 2

The SM flowsheet operation is manipulating a variable that does

not have a fixed specification in EO.
Solution 2

Either add a spec group to make this variable fixed, or change the
specifications of the SM problem so that the variable manipulated
is specified.
Cause 3

Some input variables cannot be updated by Input Reconciliation,

so the results of the SM flowsheet will not be carried over into EO.
Check the list of Input Reconciliation limitations in online help to
determine whether this is the problem. The variables described
cannot have their input values updated as a result of such
manipulations.
Solution 3

Redesign the flowsheet operation so it does not depending on

manipulating such variables, or set explicit specifications in EO for
the final values of the SM flowsheet manipulation.
EO Troubleshooting: EO problem is not using data specified on EO Input or EO Options
Case 2 forms after a reinitialization or change in SM problem
specifications.
When you perform a reinitialization in an EO problem, you have
four options for the scope of this reinitialization. Some of these

22-16 • EO Run Modes Aspen Plus 11.1 User Guide

 options may not use some EO variable specifications made at the
top level or hierarchy level.
Cause 1

If you choose Reinitialize equation oriented simulation with

changes in configuration, Flowsheet/Hierarchy level EO-Input and
EO-Options may not be used during initialization after specifying
sequential-modular input changes at the block level, and you also
have specified equation-oriented variable values or other attributes
on the EO Input or EO Options forms at the top level or at the
level of a hierarchy block, these specifications will be ignored in
this type of initialization. This type of reinitialization may also be
performed implicitly when you change SM block specifications
and rerun the problem in EO.
Solution 1

If you want these specifications to always be invoked, specify

them in the EO Input form or the Block Options EO Options
sheet within the block.
Cause 2

If you choose Rebuild equation oriented simulation and reinitialize

with current EO results after an SM input change resulting in the
rebuild of a block, EO Input variable value statements referencing
the block at the hierarchy or flowsheet levels will be overwritten
by the restored variable value vector.
Solution 2

To do other forms of reinitialization, save the variable values in an

external file prior to performing the SM input changes and then
import the saved variable values after the re-initialization is
complete. Use the export ( ) and import ( ) EO variables
buttons on the control panel to export and import these files.

Aspen Plus 11.1 User Guide EO Run Modes • 22-17

22-18 • EO Run Modes Aspen Plus 11.1 User Guide
 C H A P T E R 23

Optimization and Data-Fit

This chapter describes optimization and data-fitting in Sequential

Modular mode.

Optimization Overview
This section is about SM optimization. For EO optimization, see
EO Run Modes.
For help on optimization, see one of the following topics:
• About Optimization
• Recommended Procedure for Optimization
• Defining an Optimization Problem
• About Constraints
• Entering Optional Fortran Statements
• Fortran Declarations
• Convergence of Optimization Problems
• Troubleshooting Optimization Problems

About Optimization
Use optimization to maximize or minimize a user-specified
objective function by manipulating decision variables (feed stream,
block input, or other input variables).
The objective function can be any valid Fortran expression
involving one or more flowsheet quantities. The tolerance of the
objective function is the tolerance of the convergence block
associated with the optimization problem.
You have the option of imposing equality or inequality constraints
on the optimization. Equality constraints within an optimization

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-1

 are similar to design specifications. The constraints can be any
function of flowsheet variables computed using Fortran
expressions or in-line Fortran statements. You must specify the
tolerance of the constraint.
Tear streams and the optimization problem can be converged
simultaneously or separately. If they are converged
simultaneously, the tear stream is treated as an additional
constraint.
Convergence of Aspen Plus solves optimization problems iteratively. By default
Optimization Aspen Plus generates and sequences a convergence block for the
Problems optimization problem. You can override the convergence defaults,
by entering convergence specifications on Convergence forms. Use
the SQP and Complex methods to converge optimization
problems.
The value of the manipulated variable that is provided in the
Stream or Block input is used as the initial estimate. Providing a
good estimate for the manipulated variable helps the optimization
problem converge in fewer iterations. This is especially important
for optimization problems with a large number of varied variables
and constraints.
There are no results associated directly with an optimization
problem, except the objective function and the convergence status
of the constraints. You can view the final value of the manipulated
and/or sampled variables either directly on the appropriate Stream
or Block results sheets or summarized on the Results Manipulated
Variables sheet of the convergence block. To find the summary
and iteration history of the convergence block, select the Results
form of the appropriate Convergence block.

Recommended Procedure for

Optimization
Optimization problems can be difficult to formulate and converge.
It is important to have a good understanding of the simulation
problem before adding the complexity of optimization.
The recommended procedure for creating an optimization problem
is:
1 Start with a simulation (instead of starting with optimization).
There are a number of reasons for this approach:
• It is easier to detect flowsheet errors in a simulation.
• You can determine reasonable specifications.

23-2 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 • You can determine a reasonable range of decision
variables.
• You can get a good estimate for the tear streams.
2 Perform sensitivity analysis before optimization, to find
appropriate decision variables and their ranges.
3 Evaluate the solution using sensitivity analysis, to find out if
the optimum is broad or narrow.

Defining an Optimization Problem

Define an optimization problem by:
1 Creating the optimization problem.
2 Identifying the sampled flowsheet variables used in the
objective function.
3 Specifying the objective function for a sampled variable, or
some function of sampled variables, and identify the
constraints associated with the problem.
4 Identifying the simulation input variables to be adjusted to
maximize or minimize the objective function, and specify the
limits within which they can be adjusted.
5 Entering optional Fortran statements.
6 Defining the constraints for the optimization problem.
Creating an To create an optimization problem:
Optimization Problem 1 From the Data menu, point to Model Analysis Tools, then
Optimization.
2 In the Optimization Object Manager, click New.
3 In the Create New ID dialog box, enter an ID (or accept the
default ID) and click OK.
Identifying Sampled Use the Model Analysis Optimization Define sheet to identify the
Flowsheet Variables flowsheet variables used in setting up the optimization problem,
and assign them variable names. The variable name identifies the
flowsheet variable that you can use when defining the objective
function, specifying bounds for the manipulated vairables, or
writing Fortran statements.
Use the Define sheet to identify a flowsheet variable and assign it a
variable name. When completing a Define sheet, specify the
variables on the Variable Definition dialog box. The Define sheet
shows a concise summary of all the accessed variables, but you
cannot modify the variables on the Define sheet.
On the Define sheet:

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-3

 1 To create a new variable, click the New button.
or
To edit an existing variable, select a variable and click the Edit
button.
2 Type the name of the variable in the Variable Name field. If
you are editing an existing variable and want to change the
variable name, click the right mouse button on the Variable
Name field. On the popup menu, click Rename. A variable
name must:
• Be six characters or less for a scalar variable
• Be five characters or less for a vector variable
• Start with an alphabetic character (A – Z)
• Have subsequent alphanumeric characters (A – Z, 0 – 9)
• Not begin with IZ or ZZ
3 In the Category frame, use the option button to select the
variable category.
4 In the Reference frame, select the variable type from the list in
the Type field.
Aspen Plus displays the other fields necessary to complete the
variable definition.
5 Click Close to return to the Define sheet.
See Accessing Flowsheet Variables for more information on
accessing variables.

Tip: Use the Delete button to quickly delete a variable and all of
the fields used to define it.
Use the Edit button to modify the definition of a variable in the
Variable Definition dialog box.

Entering the If any constraints are associated with the optimization, define them
Objective Function before you specify the Objective function. For more information,
see Defining Constraints.
To enter the objective function for the optimization problem and
identify the constraints:
1 On the Optimization form, click the Objective & Constraints
tab.
2 Select either Maximize or Minimize.
3 In the Objective Function field, enter the targeted variable or
Fortran expression.
To ensure that you enter accurate variable names, click the
right mouse button. In the popup menu, click Variable List.

23-4 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 The Defined Variable List window appears. You can drag and
drop the variables from the Defined Variable List to the
Objective Function field.
4 Select the constraints to be associated with the optimization,
using the arrow buttons to move them from the Available
Constraints list to the Selected Constraints list.
If you need to enter more complex Fortran than can be handled in a
single expression, you can enter additional Fortran statements. For
more information, see Entering Optional Fortran Statements.
Identifying the Use the Vary sheet to identify the manipulated variables and
Manipulated Variable specify their limits. The limits for manipulated variables can be
constants or functions of flowsheet variables.
To identify the manipulated variable and specify limits:
1 On the Optimization form, click the Vary tab.
2 In the Variable Number field, click on the down arrow and
select <new>.
3 In the Type field, select a variable type.
Aspen Plus takes you to the remaining fields necessary to
uniquely identify the flowsheet variable.
4 In the Lower field, enter a constant or Fortran expression as the
lower limit for the manipulated variable.
5 In the Upper field, enter a constant or Fortran expression as the
upper limit for the manipulated variable.
6 You can label the decision variables for the report and the
Results form. Use the Line 1 to Line 4 fields to define these
labels.
7 Repeat steps 2 though 6 until you identify all manipulated
variables.
You must have already entered the manipulated variable as an
input specification, or it must have a default value. The initial
guess used for the manipulated variable is either this specification
or the default. You cannot manipulate integer block input
variables, such as the feed location of a distillation column.

About Constraints
You can choose to specify equality and inequality constraints for
optimization problems. Equality constraints are the same as design
specifications in non-optimization problems. Supply an ID for each
constraint you define. Constraint IDs identify constraints on the
Optimization sheets.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-5

 Defining Constraints Define a constraint by:
1 Creating the constraint.
2 Identifying the sampled flowsheet variables used in the
constraint.
3 Specifying the constraint expression.
4 Ensuring the constraint has been selected on the Optimization
Objective & Constraints sheet.
Creating Constraints To create a constraint problem:
1 From the Data menu, point to Model Analysis Tools, then
Constraint.
2 In the Constraint Object Manager, click New.
3 In the Create New ID dialog box, enter an ID (or accept the
default ID) and click OK.
Identifying Sampled Use the ModelAnalysis Constraint Define sheet to identify the
Flowsheet Variables flowsheet variables used in the optimization problem and assign
for Constraints them variable names. The variable name identifies the flowsheet
variable that you can use on the Spec and Fortran sheets.
Use the Define sheet to identify a flowsheet variable and assign it a
variable name. When completing a Define sheet, specify the
variables on the Variable Definition dialog box. The Define sheet
shows a concise summary of all the accessed variables, but you
cannot modify the variables on the Define sheet.
On the Define sheet:
1 To create a new variable, click the New button.
or
To edit an existing variable, select a variable and click the Edit
button.
2 Type the name of the variable in the Variable Name field. If
you are editing an existing variable and want to change the
variable name, click the right mouse button on the Variable
Name field. On the popup menu, click Rename. A variable
name must:
• Be six characters or less for a scalar variable
• Be five characters or less for a vector variable
• Start with an alphabetic character (A – Z)
• Have subsequent alphanumeric characters (A – Z, 0 – 9)
• Not begin with IZ or ZZ
3 In the Category frame, use the option button to select the
variable category.

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 4 In the Reference frame, select the variable type from the list in
the Type field.
Aspen Plus displays the other fields necessary to complete the
variable definition.
5 Click Close to return to the Define sheet.
See Accessing Flowsheet Variables for more information on
accessing variables.

Tip: Use the Delete button to quickly delete a variable and all of
the fields used to define it.
Use the Edit button to modify the definition of a variable in the
Variable Definition dialog box.

Specifying the You need to specify the constraint as a function of the sampled
Constraint variable and supply a tolerance on the constraint.
Expression Constraint functions are defined as follows:
• For equality constraints:
-tolerance < expression1 - expression2 < tolerance
• For less than or equal to inequality constraints:
expression1 - expression2 < tolerance
• For greater than or equal to inequality constraints:
expression1 - expression2 > tolerance
To specify a constraint:
1 On the Constraint form, click the Spec tab.
2 In the two Constraint expression specification fields, enter
expression1 and expression2, as constants or Fortran
expressions.
To ensure that you enter accurate variable names, click the
right mouse button. In the popup menu, click Variable List.
The Defined Variable List window appears. You can drag and
drop the variables from the Defined Variable List to the fields
on the Spec form.
3 Select Equal to, Less than or equal to, or Greater than or equal
to, for the specification.
4 In the Tolerance field, enter the constraint tolerance as a
constant or as a Fortran expression.
5 If the constraint is a vector, check the This is a Vector
Constraint box, and specify the elements of the vector that
should be used.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-7

 If you need to enter more complex Fortran than can be handled in a
single expression, you can enter additional Fortran statements on
the Constraint Fortran sheet. See Optional Fortran Statements.

Entering Optional Fortran Statements

You have the option of entering any Fortran statements needed to
compute the optimization objective function terms or manipulated
variable limits. Any variable computed by the Fortran statements
can be used in the expressions on the following sheets:
• Optimization Objective & Constraint
• Optimization Vary
• Constraint Spec
Fortran statements are needed only if the functions involved are
too complex to enter on these sheets.
You can enter Fortran statements:
• On the Fortran sheet
• In your text editor (for example, Notepad), and then copy and
paste them onto the Fortran sheet.
Using the Fortran To enter executable Fortran statements on the Fortran sheet:
Sheet 1 On the Optimization or Constraint form, click the Fortran tab.
2 Review the rules and restrictions for in-line Fortran
3 Enter your Fortran statements.
To ensure that you enter accurate variable names, click the
right mouse button. In the popup menu, click Variable List.
The Defined Variable List window appears. You can drag and
drop the variables from the Defined Variable List to the Fortran
sheet.

Fortran Declarations
You enter Fortran declarations in the same way as executable
Fortran statements, using the Declarations sheet instead of the
Fortran sheet.
You can include any Fortran declarations in an optimization
problem, including:
• COMMON definitions
• DIMENSION definitions
• Data type definitions (INTEGER and REAL)

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 If a Fortran variable meets one of these criteria, you should place it
in a COMMON:
• It is also used by another block.
• Its value must be retained from one iteration of an optimization
problem to another.
Fortran variables that you defined on the Define sheet should not
be declared on the Declarations sheet.

Convergence of Optimization
Problems
Algorithms for solving process optimization problems can be
divided into two categories:
Path Method Information
Feasible Requires that tear streams and equality constraints
(design specifications), if any, be converged at each
iteration of the optimization.
Infeasible Can converge tear streams, equality constraints, and
inequality constraints simultaneously with the
optimization problem.
Two optimization algorithms are available in Aspen Plus:
• The COMPLEX method
• The SQP method
COMPLEX Method The COMPLEX method uses the well-known Complex algorithm,
a feasible path "black-box" pattern search. The method can handle
inequality constraints and bounds on decision variables. Equality
constraints must be handled as design specifications. You must use
separate convergence blocks to converge any tear streams or
design specifications.
The COMPLEX method frequently takes many iterations to
converge, but does not require numerical derivatives. It has been
widely used for all kinds of optimization applications for many
years, and offers a well-established and reliable option for
optimization convergence.
Sequential Quadratic The SQP method is a state-of-the-art, quasi-Newton nonlinear
Programming (SQP) programming algorithm. It can converge tear streams, equality
Method constraints, and inequality constraints simultaneously with the
optimization problem. The SQP method usually converges in only
a few iterations but requires numerical derivatives for all decision
and tear variables at each iteration.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-9

 The SQP method as implemented in Aspen Plus includes a novel
feature: the tear streams can be partially converged using
Wegstein, each optimization iteration and during line searches.
This usually stabilizes convergence, and can reduce the overall
number of iterations.
You can specify the number of Wegstein passes. Choosing a large
value effectively makes SQP a feasible path (but not a black-box)
method. The Aspen Plus default is to perform three Wegstein
passes.
You can also use the SQP method as a black-box or partial black-
box method, by converging tear streams and design specifications
as an inside loop to the optimization problem (using separate
Convergence blocks). This reduces the number of decision
variables. The trade-off is the number of derivative evaluations,
versus the time required per derivative evaluation. Whether SQP is
the method of choice depends on your optimization problem.
The default optimization convergence procedure in Aspen Plus is
to converge tear streams and the optimization problem
simultaneously, using the SQP method.

Troubleshooting Optimization
Problems
The convergence of an optimization problem can be sensitive to
the initial values of the manipulated variables. The optimization
algorithm only finds local maxima and minima in the objective
function. Although it occurs rarely it is possible to obtain a
different maximum or minimum in the objective function by
starting at a different point in the solution space.
When an objective function is not satisfied, there are a number of
options to consider:
1 Make sure the objective function does not have a flat region
within the range of a manipulated variable. Avoid the use of
objective functions and constraints that contain discontinuities.
2 Linearize the constraints to the extent possible.
3 If the error improves initially, but then levels off, the
derivatives calculated are sensitive to step size. Some things to
try are:
• Tighten tolerances of unit operation and convergence
blocks within the optimization convergence loop. The
optimization tolerance should be equal to the square root of

23-10 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 the block tolerances. For example, if the optimization
tolerance is 10-3, then the block tolerances should be 10-6.
• Adjust the step size for better accuracy. The step size
should be equal to the square root of the inner tolerances.
• Check to see that the manipulated variable is not at its
lower or upper bound.
• Disable the Use Results from Previous Convergence Pass
option on the BlockOptions SimulationOptions sheet for
blocks within the optimization convergence loop. You can
also specify this globally on the Setup SimulationOptions
Calculations sheet
4 Check to ensure that the manipulated variables affect the value
of the objective function and/or the constraints, perhaps by
performing a sensitivity analysis.
5 Provide a better starting estimate for the values of the
manipulated variables.
6 Narrowing the bounds of the manipulated variables or
loosening the tolerance on the objective function might help
convergence.
7 Modify the parameters of the convergence block associated
with the optimization (step size, number of iterations, etc.)
Example for Maximizing The value of a reactor product stream is a function of the flow rate
Product Value of the desired product, P, and the undesired byproduct, G.
Value = P - 30 * G
Optimization is used to find the reaction temperature that
maximizes the product value.
• The molar flow rate of components P and G in stream PROD
are the sampled variables for the optimization. These variables
are called P and G, respectively.
• The optimization objective function is ( P - 30*G ).
• You can use Fortran expressions, such as ( P - 30*G ) in any
part of the optimization problem.
• The reactor temperature is the manipulated variable. The
optimization convergence block finds the reactor temperature
that makes ( P - 30*G ) a maximum.
• The manipulated variable is specified in the reactor block, just
as if there were no optimization. The specified value is the
initial estimate used by the optimization convergence block.
• The optimization convergence block will not try a temperature
less than 300F or greater than 400F, even if the maximum of
the objective function lies outside this range.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-11

 • You do not have to specify convergence of the optimization.
Aspen Plus automatically generates a convergence block to
converge the optimization.
• This optimization problem does not have any constraints
associated with it.

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Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-13
 Example for Maximizing The value of a process is calculated as the value of the product and
Operating Margin the byproduct, minus the cost of the raw material, and minus the
cost of steam for the reactor. The Fortran sheet is used to calculate
the cost function:
C
C CPROD = PRICE OF PRODUCT, $/LB
CPROD = 1.30
C
C CBYPR = PRICE OF BYPRODUCT, $/LB
CBYPR = 0.11
C
C CFEED = PRICE OF FEED, $/LB
CFEED = .20
C
C CSTEAM = COST OF STEAM, $/MMBTU
CSTEAM = 4.00
C
C COST FUNCTION
CFUNC = CPROD * P + CBYPR * G - CFEED * A - CSTEAM * Q /1D6

There are two constraints:

• Maximum duty for the reactor
• Minimum product purity.
Optimization is used to find the reaction temperature and the feed
flow rate that maximizes the cost function.
• The molar flow rate of P and of G in stream PROD, the molar
flow rate of A in stream FEED and the reactor duty are the
sampled variables for the optimization. These variables are
called P, G, A, and Q, respectively.
• The optimization problem is converged when CFUNC is at a
maximum.
• There are two manipulated variables: the reactor temperature
and the flow rate for the reactant A in the feed. The

23-14 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 optimization convergence block finds the combination of
values that makes CFUNC a maximum subject to the
constraints.
• The Fortran sheet is used to calculate the cost function
CFUNC.
• The manipulated variables are specified in the blocks just as if
there were no optimization. The specified value is the initial
estimate used by the optimization convergence block.
• You do not have to specify convergence of the optimization.
Aspen Plus automatically generates a convergence block to
converge the optimization problem.
• There are two constraints associated with the optimization
problem. They are called DUTY and PURITY.
• The constraint DUTY is satisfied when the reactor duty is less
than or equal to 3 MMbtu/hr.
• The constraint PURITY is satisfied when mole fraction of P in
the stream PROD is greater or equal to than 0.9.
On the Optimization sheets:

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-15

23-16 • Optimization and Data-Fit Aspen Plus 11.1 User Guide
Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-17
23-18 • Optimization and Data-Fit Aspen Plus 11.1 User Guide
 On the DUTY constraint sheets:

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-19

23-20 • Optimization and Data-Fit Aspen Plus 11.1 User Guide
 On the PURITY constraint form:

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-21

23-22 • Optimization and Data-Fit Aspen Plus 11.1 User Guide
 Data-Fit Overview
This section is about SM data fitting. For EO Reconciliation, see
EO Run Modes.
You can fit Aspen Plus simulation models to plant or laboratory
data using Data-Fit. You provide one or more sets of measured
data for input and results variables of a simulation model. Data-Fit
adjusts (or estimates) input parameters to find the best fit of the
model to the data. If you want Data-Fit to reconcile measured data
for input variables to match the fitted model, it can do this
simultaneously.
Data-Fit minimizes the weighted sum of squares of the differences
between the measured data and the model prediction. In statistical
terms, Data-Fit performs either ordinary least squares or maximum
likelihood (errors-in-variables) estimation.
For help on fitting a simulation model to Data, see one of the
following:
• Types of Data-Fit applications
• Defining a Data-Fit problem
• Creating Point-Data sets
• Creating Profile-Data data sets
• Defining Data-Fit regression cases
• Ensuring well-formulated Data-Fit problems
• Analyzing convergence problems
• Examining results

Types of Data-Fit Applications

Data-Fit applications fall into two main categories.
In the first type of application, Data-Fit determines coefficients for
Aspen Plus user or built-in kinetics models from laboratory
kinetics data. For example, given data for concentration versus
time at one or more temperature, Data-Fit determines coefficients
of the power law kinetics model.
In the second type of application, Data-Fit matches an Aspen Plus
simulation to plant data as the first step in a simulation study. For
example, given one or more sets of distillation column feed and
product measurements, Data-Fit finds the column efficiency that
best fits the measurements. At the same time, Data-Fit can:

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-23

 • Adjust the measurements to match the fitted model
• Estimate missing feed or product measurements
• Help identify poor measurements
Data-Fit is designed for off-line use in developing an Aspen Plus
simulation model that matches available data. Data-Fit is not
designed for online plant data reconciliation applications.

Defining a Data-Fit Problem

Fitting a simulation model to data involves three major steps:
1 Creating base-case Aspen Plus model.
For example, to fit concentration versus time kinetics data,
create an RBatch model. The kinetics model coefficients you
enter for RBatch using the Reactions forms become initial
estimates for the Data-Fit problem.
2 Creating one or more Data-Fit data sets.
Use this Data Set To fit
type
POINT-DATA • One or more steady-state experiments or
operating points
• Initial charge and final products of a batch
reactor, but not intermediate time points
• Feeds and products of a plug flow reactor,
but not points along the length of the
reactor
PROFILE-DATA • Time series data for a batch reactor
• Measurements along the length of a plug
flow reactor
3 Defining regression cases. Specify Data-Fit cases and input
parameters to be estimated. See Defining Data-Fit Regression
Cases.

Creating Point-Data Data Sets

To create a Point-Data data set:
1 From the Data menu, point to Model Analysis Tools, then Data
Fit.
2 On the left pane of the Data Browser, select Data-Set
3 In the Data-Set Object Manager, click New.

23-24 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 4 In the Create New ID dialog box, enter an ID or accept the
default ID.
5 In the Select Type list, select Point-Data and click on OK.
6 On the Define sheet, identify the flowsheet variables for which
you have measurements (see Identifying Flowsheet Variables).
7 On the Data sheet, enter the measured data (see Entering the
Measured Point-Data).
Identifying Flowsheet You must identify the flowsheet variables for which you have
Variables measurements. Use the Data-Fit Data-Set Define sheet to identify
the flowsheet variables used in the data set and assign them
variable names. The variable name identifies the flowsheet
variable on other data set sheets.
Use the Define sheet to identify a flowsheet variable and assign it a
variable name. When completing a Define sheet, specify the
variables on the Variable Definition dialog box. The Define sheet
shows a concise summary of all the accessed variables, but you
cannot modify the variables on the Define sheet.
On the Define sheet:
1 To create a new variable, click the New button.
or
To edit an existing variable, select a variable and click the Edit
button.
2 Type the name of the variable in the Variable Name field. If
you are editing an existing variable and want to change the
variable name, click the right mouse button on the Variable
Name field. On the popup menu, click Rename. A variable
name must:
• Be six characters or less for a scalar variable
• Be five characters or less for a vector variable
• Start with an alphabetic character (A – Z)
• Have subsequent alphanumeric characters (A – Z, 0 – 9)
• Not begin with IZ or ZZ
3 In the Category frame, use the option button to select the
variable category.
4 In the Reference frame, select the variable type from the list in
the Type field.
Aspen Plus displays the other fields necessary to complete the
variable definition.
5 Click Close to return to the Define sheet.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-25

 See Accessing Flowsheet Variables for more information on
accessing variables.

Tip: Use the Delete button to quickly delete a variable and all of
the fields used to define it.
Use the Edit button to modify the definition of a variable in the
Variable Definition dialog box.

Types of Flowsheet You must identify the flowsheet variables for which you have
Variables measurements. You can also identify results variables for which
you have no measurements. Aspen Plus will estimate the results
variables and tabulate them for each data point.
In Data-Fit, you cannot access vectors. You must access each
stream variable or each component in a composition vector as a
different scalar variable.
Always access feed stream compositions as mole, mass, or
standard volume component flows. Do not access them as
fractions. This avoids any problems with normalizing fractions.
You can access both input values and results values for certain
flowsheet variables. For example, the condenser duty of a RadFrac
block can be accessed either as the input variable Q1 or the results
variable COND-DUTY. The reboiler duty can be accessed as the
input variable QN or as the results variable REB-DUTY. Select
either the input or results variable as follows:
Is the measured variable Then select
specified as an input in the base
case simulation?
Yes The input variable
No The results variable
For example, suppose:
• Your base-case model consists of a RadFrac block with Reflux
Ratio and Condenser Duty specified.
• The data you want to fit includes reboiler and condenser duty.
You must select the results variable REB-DUTY for the reboiler
duty, since it is not specified as an input in the base-case model.
You must select the input variable Q1 for the condenser duty, since
it is specified as an input in the base-case model.
If you want to reconcile the measurement for Q1, provide a non-
zero standard deviation. If you do not want to reconcile it, provide
a zero standard deviation.

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 Entering the Use the Data-Fit Data-Set Data sheet to enter measured data.
Measured Point-Data For each measured variable:
1 On the Data-Fit Data-Set form, click the Data tab.
2 Specify whether the variable is a simulation Input or Result for
the Data-Fit problem.
Specify these variables As
Measured feed stream Input
Measured product stream Result
Measured variables that were accessed as Input
input variables on the Define sheet
All other measured variables Result

Note: Intermediate stream variables are usually results. However,

when a Data-Fit problem spans only a subset of the flowsheet, you
must specify intermediate streams that are inlets to the Data-Fit
subproblem as inputs.

3 Specify a standard deviation for the measurement in the first

row of the data table.
4 Enter one or more data points (rows in the table). If a
measurement is not available for a Result variable, leave its
Data field blank. Data-Fit will estimate it. You must always
enter a value for an Input variable.
You can introduce a new standard deviation row at any time. It
will apply to subsequent data points.
Standard Deviation The standard deviation is the level of uncertainty in the
measurement. You can enter it as an absolute or percent error
(append a percent sign (%) to the value). Statistically determined
standard deviations are seldom available. It is enough to supply an
approximate "expected error," estimated from experiences or
instrument specifications. Each residual (measurement — model
prediction) term in the sum of squares function is weighted by
1/(standard deviation2).
You must specify a standard deviation greater than zero for each
results variable to be fit. If a zero value is entered for standard
deviation, that results variable is not included in the regression.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-27

 For inputs, a standard deviation greater than zero invokes
maximum likelihood (errors-in-variables) estimation:
If the standard deviation Then Aspen Plus
for an input variable is
Zero Treats the measurement as exact and Data-
Fit does not adjust it
Greater than zero Adjusts (reconciles) the measurement, along
with results measurements, to match the
fitted model
Note Reconciling inputs can increase
solution time significantly, since each
reconciled input is treated as a decision
variable by the least squares algorithm

Creating Profile-Data Sets

To create a Profile-Data data set:
1 On the Data menu, select Model Analysis Tools, then Data Fit.
2 On the left pane of the Data Browser, select Data-Set
3 In the Data-Set Object Manager, click New.
4 In the Create New ID dialog box, enter an ID or accept the
default ID.
5 In the Select Type list, select Profile-Data and click on OK.
6 On the Define sheet, identify the flowsheet variables for which
you have measurements (see Identifying Profile Variables).
7 On the Data sheet, enter the measured data (see Entering the
Measured Profile-Data).
8 You can specify the charge (Rbatch) or feed (Rplug) on the
Initial Conditions sheet.
Identifying Profile Profile variables are available for the RBatch and RPlug unit
Variables operation models.
1 On the Data-Set form, click the Define tab.
2 In the Model and Block Name area, select either RBatch or the
RPlug.
3 In the Block field, identify the block where the profiles have
been measured.
4 In the Variable Name field, enter a variable name. A variable
name must:
• Be six characters or less for a scalar variable
• Start with an alphabetic character (A – Z)

23-28 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 • Have subsequent alphanumeric characters (A – Z, 0 – 9)
• Not begin with IZ or ZZ
5 In the Variable list, select a variable. See the prompt for a
description of each variable.
6 For concentration or fraction profile variables, identify the
component being measured in the Component field. You must
identify each component concentration or fraction as a separate
measured variable.
7 Repeat steps 4 through 6 for each measured variable.
You can identify profile variables for which you have no
measurements. Data-Fit will calculate and tabulate them.
Entering the Use the Data-Fit Data-Set Data sheet to enter measured data.
Measured Profile- For each measured variable:
Data
1 On the Data-Fit Data-Set form, click the Data tab.
2 In the first row of the data table, specify a standard deviation
greater than zero for each measured variable to be fit. If a zero
value is entered for the standard deviation, that results variable
is not included in the regression.
3 Enter the time or length and the measurements for each data
point. Leave missing measurements blank. Aspen Plus will
estimate them.
You can introduce a new standard deviation row at any time. It
will apply to subsequent data points.
4 If you want to specify temperature and pressure values to
replace those in the base-case, enter the value(s) on the Initial
Conditions sheet. Data-Fit does not reconcile (adjust) these
values. It assumes they are exact.
5 If the experiment was carried out with a feed or charge
different than that in the base-case model, specify the
component flows on the Profile-Data Initial Conditions sheet.
Select the basis (Mole/Mass/StdVol) and the units. Enter the
component flows. Aspen Plus assumes the values you enter are
exact and does not adjust them. You can only specify flows for
conventional components. If the feed/charge specified in the
base-case model contains nonconventional components, Data-
Fit will use:
• Base-case specifications for nonconventional components
• Conventional component flows entered on this form as
feed/charge to reactor
The standard deviation is the level of uncertainty in the
measurement. See Standard Deviation for more information.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-29

 Defining Data-Fit Regression Cases
You can fit both Point-Data and Profile-Data data sets in the same
regression case. For example, you might have time series data for a
reaction at one temperature (Profile-Data), and overall conversion
data at several temperatures (Point-Data).
A Data-Fit regression case must involve at least one of the
following:
• An estimated parameter
• A reconciled input (with a standard deviation greater than zero)
Aspen Plus adjusts (reconciles) measured input variables when you
specify non-zero standard deviations for the input measurements
on the Data-Set Data sheet. There will be one estimate for a
reconciled measured input for each data point.
For an estimated parameter, you must have already entered a value
for it as an input specification for the base simulation, or it must
have a default value. Data-Fit uses this specification as the initial
guess for the variable.
If the base-case value lies outside the bounds you enter for the
parameter on the Regression Vary sheet or for a reconciled input,
Data-Fit uses the nearest bound as the initial guess.
There is no limit to the number of estimated parameters.
Data-Fit leaves a variable at its lower or upper limit if violating the
limit would further decrease the sum-of squares function.
Creating Data-Fit To define a Data-Fit regression case:
Regression Cases 1 On the Data menu, select Model Analysis Tools, then Data Fit.
2 On the left pane of the Data Browser, select Regression
3 In the Regression Object Manager, click New.
4 In the Create New ID dialog box, enter an ID or accept the
default ID.
5 On the Specifications sheet, identify the data sets to be fit in
the case (see Creating Point-Data Data Sets and Creating
Profile-Data Sets). You can also supply Weights to adjust the
relative weighting of the data sets, but this is usually not
necessary. For more information on Weights see Data-Fit
Numerical Formulation.
6 On the Vary sheet, identify any simulation input parameters
you want to estimate. Data-Fit will adjust the variables to find
the best fit to the Data-Sets listed on the Specifications sheet.
7 On the Convergence sheet, you can select the Initialization
Method when reconciling input measurements.

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 To initialize the reconciled inputs to Use the initialization method
Base-case values Base Case Values (default)
Measured values Measurements
The default base-case initialization method is robust, but it can
take a few more iterations if the measurements are far off from
the base case.
8 you do not need to change any other defaults on the Regression
Convergence sheet. See Convergence Parameters for more
information.
Convergence The Regression Convergence sheet is used to specify optional
Parameters Data-Fit convergence parameters. In most cases, it is unnecessary
to change these parameters from their default values.
The following parameters are available on the Convergence sheet:
Field Default Used To
Maximum 50 Specify the maximum number of optimizer iterations.
Algorithm
Iterations
Maximum Passes 1000 Set the maximum number of flowsheet passes allowed in a Data-Fit run.
Through Flowsheet Included in the count of flowsheet passes are the initial base case, passes
required to compute the residuals, and passes required to compute the
Jacobian matrix through perturbation.
Bound Factor 10 Lower and Upper bounds for reconciled input variables are computed
using Bound Factor times Standard Deviation for that variable.
See Bound Factor for more information about setting the Bound Factor.
Absolute Function 0.01 Specify the absolute sum-of-squares objective function tolerance.
Tolerance If the optimizer finds a point where the objective function value is less
than the Absolute Function Tolerance, the problem is converged.
Relative Function 0.002 Specify the relative function convergence tolerance.
Tolerance If the current model predicts a maximum possible function reduction of
at most the relative function tolerance times the absolute value of the
function value at the start of the current iteration, and if the last step
attempted achieved no more than twice the predicted function decrease,
then the problem is considered converged.
X Convergence 0.002 Specify the X convergence tolerance.
Tolerance If a step is tried that has a relative change in X less than or equal to the X
Convergence Tolerance and if this step decreases the objective function
by no more than twice the predicted objective function decrease, the
problem is considered converged.
Minimum Step 1e-10 Data-Fit returns with suboptimal solution if a step of scaled length of at
Tolerance most Minimum Step Tolerance is tried but not accepted.
Calculate checked Calculate covariance and correlation matrices and write correlation
Covariance Matrix matrix to report file.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-31

 Advanced The Regression Advanced sheet is used to specify additional Data-
Parameters Fit convergence parameters. In most cases, it is unnecessary to
change these parameters from their default values.
The algorithm maintains an estimate of the diameter of a region
about the current estimate of the vector of varied values in which it
can predict the behavior of the least-squares objective function,
that is, a trust region.
The following parameters are available on the Convergence sheet:
Trust region tuning Default Used To
parameters field
Switching Parameter 1.5 Data-Fit algorithm uses a trust-region strategy. Switching Parameter is
used in a test to decide when to switch the model for the trust region.
Adjustment Factor 0.75 If the decrease in the value of the objective function is at least
Adjustment Factor*inner product of the step and the gradient, then the
trust region radius is increased
Reduction Factor 0.5 The factor by which the trust region radius is shrunk if current X leads to
errors in function or Jacobian evaluation.
Minimum Reduction 0.1 The minimum factor by which the trust region radius may be shrunk.
Factor
Minimum Expansion 2 The minimum factor by which the trust region radius is increased if it is
Factor increased at all.
Maximum Expansion 4 The maximum factor by which the trust region radius may be increased
Factor at one time.

Step and tuning Default To

parameters field
Initial Step Size 1 Factor determining the initial step size of the trust region.
The choice of Initial Step Size can profoundly affect the performance of
the algorithm - different values sometimes lead to finding different local
minima. Too small or too large a value of Initial Step Size causes the
algorithm to spend several function evaluations in the first iteration
increasing or decreasing the size of the trust region.
Size Control Parameter0.0001 For the step to be accepted the actual function reduction must be more
than Size Control Parameter times its predicted value.
Adaptive Scaling 0.6 Tuning factor associated with adaptive scaling strategy in the algorithm
Strategy
Relative Perturbation 0.005 Default perturbation size during Jacobian evaluation for variable X is
Size Relative Perturbation Size times the absolute value of X.
False Convergence 0.1 Helps decide when to check for false convergence and to consider
Check Parameter switching the algorithm model for the current trust region.

Data-Fit Numerical Formulation

Data-Fit solves a problem with the following formulation:

23-32 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 1 Nsets   N exp i 
Min ∑  Wi *  ∑ ( term1 + term2) 
 j =1 
Xp , Xri 2 i =1 

term1 = ∑ (( Xmri − Xri ) / σ Xmri )

Nri
2

l =1

term2 = ∑ (( Xmrr − Xrr ) / σ Xmrr )

Nrr
2

m =1

subject to Xplb = Xp = Xpub

Xrilb = Xri = Xriub
Where:
Nsets = Number of data sets specified on the Regression
Specifications sheet
Nexpi = Number of experiments in data set i
Nri = Number of reconciled input variables
Nrr = Number of measure results variables
Wi = Weight for data set I specified on the
Regression Specifications sheet
Xp = Vector or varied parameters
Xmri = Measured values of the reconciled input
variables
Xri = Calculated values of the reconciled input
variables
Xmrr = Measured values of the results variables
Xrr = Calculated values of the results variables
Sigma = Standard deviation specified for the measured
variables
Reconciled input variables are adjusted to minimize the sum of
square of errors for each experiment independently.

Ensuring Well-Formulated Data-Fit

Problems
This topic applies primarily to Point-Data data sets.
Although Data-Fit is extremely flexible, you must ensure that a
Data-Fit problem is well posed. Data-Fit does not check this for
you. There are two basic rules you must follow:

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-33

 • When Data-Fit evaluates a data point, it merges the current
values of the measured inputs and the estimated parameters
with the base-case specifications. To avoid erroneous results,
the set of measured inputs for a data set must form a complete
input specification for uniquely calculating the measured
results for that data set.
• The base-case simulation model must be formulated to have a
solution, even when the measurements are not in mass or
energy balance.
Example of a Well- Suppose you want to fit column efficiency to operating data for a
Formulated Data-Fit distillation column with one feed and two products. Data are
Problem available for several operating points. Each operating point has:
• A different feed composition, flow rate, and temperature
• Different distillate and bottoms flow rates and temperatures
• The same reflux ratio and feed and column pressures
The feed data consists of component mole flow rates and
temperatures. Product stream data consists only of total flow rates
and temperatures.
The following table describes a well-posed Data-Fit formulation
for this problem:
This Consists of
The base-case • A feed stream with temperature, pressure, and
simulation component mole flows specified
model
• A RadFrac block with Mole Reflux Ratio, Mole
Distillate to Feed Ratio, and pressure specified
The data set for Inputs:
the operating • Mole flow rate for each component with a non-
points
zero flow in the base-case feed stream
• Feed stream temperature
• Distillate-to-feed ratio, accessed as the RadFrac
Mole-D:F input variable and entered as an
unmeasured input in the data set
Results:
• Distillate and bottoms temperature
• Distillate and bottoms flow rate
The pressure and Mole Reflux Ratio are fixed specifications for
this problem. Data-Fit overrides the base-case feed component
flow rates, temperature, and column distillate-to-feed ratio
specification for the evaluation of each data point. If any inputs
were omitted from the data set, base-case values would be used for
the data point evaluations, causing incorrect results.

23-34 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 The distillate-to-feed ratio specification must be used so that
RadFrac can solve with most any feed. If the distillate flow
specification were used instead, a measure distillate rate that was
not in good mass balance with the measured feeds could result in
an infeasible column specification that RadFrac could not solve.
Bound Factor When you specify non-zero standard deviations for measured
inputs, Data-Fit uses the following limits for the variable estimates:
Lower Bound = Measured value - (Bound Factor) * (Standard
Deviation)
Upper Bound = Measured value + (Bound Factor) * (Standard
Deviation)
Bound Factor has a default value of 10. You can enter a different
value on the Regression Convergence sheet.
Aspen Plus checks to see whether the lower bound for flows is
negative. If so, a warning is given and the lower bound is set to
zero. Care should be taken in setting the Bound Factor to avoid
zero flow rates.
Remember that setting bounds that are too tight or too loose could
cause Data-Fit to move into an infeasible region. For example, if
you are reconciling the reflux rate for a tower and using the reflux
rate as a reconciled input variable, and you allow the lower bound
on the reflux rate to be zero, Data-Fit may drive the reflux rate to
zero during the solution process and cause severe errors in
RadFrac.
Instead of setting very tight bounds on the reconciled input
variables, you should treat them as fixed instead.
Estimating Data-Fit can estimate and tabulate any unmeasured result. Access
Unmeasured the calculated variable as a Result in a data set, enter a nonzero
Variables standard deviation, and leave the data field blank.
Data-Fit can also estimate unmeasured input variables. Access the
variable as an Input in a data set. Enter a reasonable initial guess
and a large standard deviation (for example, 50%) for the variable.
Make sure the standard deviation gives reasonable lower and upper
limits for the estimated variable.

Sequencing Data-Fit
For Data-Fit problems, Aspen Plus will:
1 Run the base-case simulation.
2 Execute the Data-Fit loop until it converges or fails to
converge.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-35

 3 Replace the base-case values of fitted parameters with the
regressed values, and rerun the base-case simulation
If any Case-Study or Sensitivity blocks are present, Aspen Plus
uses the fitted parameters to generate the Case-Study and/or
Sensitivity tables. The Data-Fit problem is not re-executed each
time.
The Aspen Plus automatic sequencing algorithm places Data-Fit
loops outside any flowsheet convergence loops.
In most cases, Data-Fit should be run standalone. For example, you
may want to estimate kinetic coefficients in the power-law
expression, using a RCSTR block. Run Data-Fit with RCSTR.
Then use the regressed values as input in a larger flowsheet with
that RCSTR block.
You can sequence the execution manually to suit your needs on the
Convergence Sequence form.

Using Data-Fit Results

The key Data-Fit results are:
Results On Data-Fit sheet
Chi-Square statistic for the fit Regression Results
Summary
Final estimates and standard deviations for Regression Results
the estimated parameters Manipulated Variables
Table of measured values, estimated values, Regression Results Fitted-
and normalized residuals for the data sets Data
Table of iteration history of the function Regression Results
results or of the vary results and reconciled Iteration History
input
A Chi-Square value greater than the threshold value indicates the
model does not fit the data. This can occur due to errors in the
measured data, or because the model does not represent the data.
You can use the Chi-Square statistic for selecting between models.
If you fit two or more models to the same data set(s), the model
with the lowest Chi-Square value fits the data best.
It is not uncommon for the standard deviations of estimated
parameters to be relatively large. This does not necessarily indicate
a poor fit.
Review the Regression Results Fitted-Data sheet for large
normalized residuals (outliers). A residual value much larger than
the others might indicate a bad data point.

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 For measured inputs with standard deviations equal to zero, there
are no estimated values or residuals. Data-Fit does not adjust these
measurements.
The Regression Results Fitted-Data sheet allows the plotting of
results. These plots can help you:
• Visualize how well your model fits the data
• Spot poor data points
For information about how to generate plots, see chapter 13,
Working with Plots.

Troubleshooting
If Data-Fit fails to converge, look for:
• Large errors in the values entered for the measurements, such
as data entry errors or incorrect units
• Gross errors in source data
Errors may occur in the problem formulation. Check:
• Does the base-case simulation converge?
• Do measured inputs completely determine the measured
results? See Ensuring Well-Formulated Data-Fit Problems.
• Is the base-case simulation formulated to handle measured data
that are not in good mass balance? See Ensuring Well-
Formulated Data-Fit Problems.
• Do the values specified in the base-case simulation provide
good estimates for the estimated parameters?
• Do the estimated parameters affect the measured variables over
the range specified? You can check the sensitivity of the
measured variables to the estimated parameters with a
sensitivity run. A different base-case parameter value or a
smaller parameter range may be needed.
• Do specified bounds allow the decision variables to take the
model into infeasible regions (leading to convergence failures
for unit operation model algorithms or internal convergence
loops)? The recommended action is to tighten the bounds.
• Do the fitted parameters have large differences in order of
magnitude? If so, it may be helpful to scale those values using
a Calculator block.
• Does the model represent the data? If not, either choose
another model or enter new base-case specifications.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-37

 Example of Fitting Determine the coefficients of the Aspen Plus power law kinetics
Reaction Kinetics Data model for the liquid phase reaction ALLYL + ACET Å PROD. A
backup file for this problem is included in the Examples library as
[Link].
The following data is available:
Initial charge: 0.05 lb ALLYL
0.07 lb ACET
Reaction temperature: 30oC
Mole fractions:
Time ALLYL PROD
600 seconds 0.30149 0.19745
900 seconds 0.25613 Unmeasured
1900 seconds 0.14938 0.45820
A base-case simulation is defined with the following
specifications:
Feed Flow Rate
ALLYL 0.05 lb/hr
ACET 0.07 lb/hr

RBatch Specification Value

Reactor Type Constant Temperature
Temperature 30.0oC
Cycle time 1900.0 seconds
Valid phases Liquid-Only

Power Law Kinetics Value

Specifications
ALLYL exponent 1.0
ACET exponent 0.5
Pre-exponential factor 1.5E7
Activation energy 6.5E7
Time series data is entered in a Profile-Data data set.

23-38 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-39
 Because data is available at only one temperature, the pre-
exponential factor is fit with the activation energy fixed. The
Regression case is entered as follows:

23-40 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 After running the Data-Fit problem, the resulting estimate of the
pre-exponential factor appears on the Regression Results
Manipulated Variable sheet:

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-41

 The Regression Results Fitted-Data sheet displays the original
measured values, along with the final estimated values for these
variables.

These original measured values and the final estimated values can
be plotted against each other to see the fit of the data and identify
any outliers.

23-42 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 Example for Matching a This example reconciles measurements and fits column Murphree
Column Model to Plant stage efficiency to operating data for a binary distillation column
Data with one feed and two product streams. A backup file for this
problem is in the Examples library as [Link].
The following data is available:
Run 1 Run 2 Run 3
Feed
Water flow rate, lbmol/hr 55 45 50
Ethanol flow rate, lbmol/hr 45 55 50
Temperature, oF 77 75 80
Distillate
Total flow rate, lbmol/hr 45 55 50
Temperature, oF 175 170 174
Bottoms
Total flow rate, lbmol/hr 45 55 50
Temperature, oF 180 185 183
A base-case simulation is defined with the following
specifications:
Feed Stream Specification Value
Water flow rate, lbmol/hr 50
Ethanol flow rate, lbmol/hr 50
Temperature, oF 77
Pressure, psia 15

RadFrac Specification Value

Number of stages 20
Feed stage 10
Pressure, psia 15
Distillate vapor fraction 0.0
Reflux ratio 3.0
Distillate-to-feed ratio 0.5
Murphree stage efficiencies 0.1
The column specifications (reflux ratio and distillate-to-feed ratio)
ensure that the column can be solved even if the measured feed and
distillate flow rates are not in mass balance.
A Fortran Calculator block is defined to set the stage efficiency of
the column and is executed just before the RadFrac block. This
Calculator block reads a parameter being varied by Data-Fit and
transfers this to the efficiency of the first and last stages of the
column. RadFrac automatically uses this efficiency for all
intermediate stages.

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-43

 The Point-Data data set is:

The distillate-to-feed ratio (COLDF) measurement is given an

arbitrary value (0.5) and a large standard deviation (100.0). This
specification tells Data-Fit to vary the distillate-to-feed ratio as
needed for each data point to find the best fit to the measured data.
The initial guess is 0.5. The distillate-to-feed ratio is an
unmeasured input, to be estimated. Distillate and bottoms flow rate
are treated as measured results. This ensures a feasible solution for
the column for each Data-Fit data point.
The measured distillate or bottoms flow rate could have been used
directly as an input (the RadFrac specification). But, RadFrac
would be unable to find a solution if the flow rate measurements
contained significant error and were not in mass balance.

23-44 • Optimization and Data-Fit Aspen Plus 11.1 User Guide

 The Data-Fit Regression case is defined as follows:

Aspen Plus 11.1 User Guide Optimization and Data-Fit • 23-45

23-46 • Optimization and Data-Fit Aspen Plus 11.1 User Guide
 C H A P T E R 24

Transferring Information
Between Streams or Blocks

Overview
This chapter provides information about:
• Transfer blocks
• Equation-oriented connection equations

Transfer Blocks
Use a transfer block to copy the values of flowsheet variables from
one part of the flowsheet to another. You can copy to any number
of destinations:
• Whole streams
• Stream composition and flow rate
• Any flowsheet variable (for example, block variables)
The most common application is to copy one stream into another.
For help on transferring information between streams and blocks,
see one of the following topics:
• Defining transfer blocks
• Creating transfer blocks
• Copying streams
• Copying flowsheet variables
• Specifying when to execute a transfer block
• Entering flash specifications for destination streams
• Using Transfer blocks in EO runs

Aspen Plus 11.1 User Guide Transferring Information Between Streams or Blocks • 24-1
 Defining a Transfer Block
To define a transfer block:
1 Create the transfer block.
2 Copy either a stream, a stream flow, a substream or a block or
stream variable.
3 Optionally enter flash specifications for destination streams.
By default, Aspen Plus will flash modified streams
automatically, using the values present in the stream and the
flash options established either on the Streams form for process
feeds, or by the source block for other streams.
4 Optionally specify when the transfer block is executed.
By default, Aspen Plus will sequence the block automatically.

Creating a Transfer Block

To create a transfer block:
1 From the Data menu, point to Flowsheeting Options, then click
Transfer.
2 In the Transfer Object Manager, click New.
3 In the Create New ID dialog box, enter an ID, or accept the
default, and click OK.

Copying Flowsheet Variables

The From and To sheets are used to specify what flowsheet
variables are copied from one place to another.
The following information can be copied:
If you select on Aspen Plus copies
the From sheet
Entire stream An entire stream
Stream flow Only the component flows and total flow of a stream
Substream An entire substream
Block or stream A scalar stream variable or block variable
variable When scalar variables are copied, the variable type
does not have to be the same on each sheet, but each
variable type must have the same physical
dimensions (for example temperature).

24-2 • Transferring Information Between Streams or Blocks Aspen Plus 11.1 User Guide
 Copying Streams To copy a stream:
1 On the Transfer form, click the From tab.
2 Click the Entire Stream option and specify the stream in the
Stream Name field. The information for an entire stream
including all substreams will be copied.
3 Click the To tab.
4 Specify any number of destination streams in the Stream field.
Copying Stream Flow To copy component flows of a stream:
1 On the Transfer form, click the From tab.
2 Click the Stream Flow option and specify the stream in the
Stream Name field. The component and total flow rates of a
stream will be copied, but not the conditions (temperature,
pressure, vapor fraction, and other intensive variables).
3 Click the To tab.
4 Specify any number of destination streams in the Stream fields.
Copying Substreams To copy a substream:
1 On the Transfer form, click the From tab.
2 Click the Substream option and specify the stream and
substream in the Stream Name and Substream fields. The
information for one substream of a stream will be copied.
3 Click the To tab.
4 Specify any number of destination streams in the Stream and
Substream fields.
Copying Block or To copy a block, stream, or other flowsheet variable:
Stream Variables 1 On the Transfer form, click the From tab.
2 Select the Block or Stream Variable option.
3 In the Type field, select the type of variable you want to copy.
4 Aspen Plus takes you to the remaining fields necessary to
completely identify the variable.
5 Click the To tab.
6 On the Variable Number field, click the down arrow and select
<new>.
7 In the Type field, select the type of variable for the destination
of the copy.
8 Aspen Plus takes you to the remaining fields necessary to
completely identify the variable.
Repeat steps 6 to 8 for all the variables to which the From
variable is to be copied.

Aspen Plus 11.1 User Guide Transferring Information Between Streams or Blocks • 24-3
 Specifying Transfer Block Execution
Use the Transfer Sequence sheet to specify when the transfer block
is executed.
You can do either of the following:
• Use the default, Automatically Sequenced, to let Aspen Plus
sequence the block automatically.
• Specify when the Transfer block is to be executed (Before or
After a block, or at the beginning (First) or end (Last) of a
simulation).
To specify transfer block execution:
1 On the Transfer form, click the Sequence tab.
2 This table shows how to specify when the transfer block is to
be executed:
Specify this in the To
Execute field
Automatically Have the Transfer block sequenced automatically
sequenced
First Have the Transfer block executed at the beginning
of the simulation
Before Have the Transfer block executed before a specified
Block, Convergence, Calculator, Transfer, Balance,
or Pressure Relief
The Block Type and Block Name must be specified.
After Have the Transfer block executed after a specified
Block, Convergence, Calculator, Transfer, Balance,
or Pressure Relief
The Block Type and Block Name must be specified.
Last Have the Transfer block executed at the end of the
simulation
3 If you entered Before or After, select the unit operation block,
convergence block, Calculator block, transfer block, balance
block or pressure relief block before or after which you want
the transfer block to be executed.
4 Use the Diagnostics button on this sheet to set the levels of
diagnostic output.

Entering Flash Specifications for

Destination Streams
When you copy into a stream, Aspen Plus flashes the destination
stream(s) to calculate a new set of stream properties using the
values present in the stream and the flash options established

24-4 • Transferring Information Between Streams or Blocks Aspen Plus 11.1 User Guide
 either on the Streams form for process feeds, or by the source
block for other streams.
You can use the optional Stream Flash sheet to specify the
thermodynamic condition and flash options for modified streams.
For example, use it when you copy stream flows and need to
specify the temperature and pressure of the destination stream.
Types of Flash The flash type must be specified. The possible flash types are:
• Temperature & Pressure
• Temperature & Vapor Fraction
• Temperature & Enthalpy
• Pressure & Vapor Fraction
• Pressure & Enthalpy
• Do not Flash Stream
Temperature or pressure estimates can be entered if desired.
Also specify the phases the flash calculation should consider and
optionally the maximum iterations and error tolerance for the flash
calculation.
How to Enter Flash To enter flash specifications for a stream:
Specifications 1 On the Transfer form, click the Stream Flash tab.
2 Specify the stream name in the Stream field.
3 Specify the Flash Type.
4 Specify the flash specifications, estimates and/or convergence
parameters.
Example of a Stream A transfer block is used to copy stream F-STOIC into streams F-
Copied to Two Other CSTR, F-GIBBS, and F-PLUG.
Streams

Aspen Plus 11.1 User Guide Transferring Information Between Streams or Blocks • 24-5
 Example of Stream The transfer block TEMP sets the temperature of block
Conditions Copied to a TRANSFER equal to the temperature in stream LIQUID2.
Block
The stream LIQUID2 is an outlet from a Flash3 where the
properties are being calculated using the UNIF-LL physical
property methods. Downstream from the Flash3, the properties are
being calculated using the NRTL physical property methods.
When two different physical property methods are being used in a
flowsheet, there may be inconsistencies where they meet. Often it
is good practice to add in a Heater block with a temperature and
pressure specification between the two sections with the different
physical property methods. The Heater should use the temperature
and pressure of the inlet stream and the physical property method
of the new section or block to which the outlet from the Heater is
connected. A Transfer block can be used to transfer the
temperature and pressure of the inlet stream to the Heater block.
In this flowsheet, only the temperature is transferred since the
pressures are all ambient. A similar transfer block could be used to
transfer the pressure from the LIQUID2 stream to the TRANSFER
Heater block.

24-6 • Transferring Information Between Streams or Blocks Aspen Plus 11.1 User Guide
 EO Usage Notes for Transfer
Transfer blocks connecting stream variables or stream vectors are
converted to EO connection equations. Transfer blocks involving
block variables are ignored in the EO problem.
Also, flash specifications in Transfer blocks are ignored in EO.

Aspen Plus 11.1 User Guide Transferring Information Between Streams or Blocks • 24-7
 Equation Oriented Connection
Equations
Equation Oriented Connection Equations are additional equations
that can be added to a system that equate two variables, thus
ensuring that they have the same value at the solution. Connection
processing automatically adjusts the specifications of the variables
involved in order to preserve the net specification of a problem.
Specifying Equation To specify EO connections:
Oriented Connections 1 From the Data Browser, select the EO Configuration folder,
then select Connection.
The EO Configuration Connection Configuration sheet
appears.
2 Enter data in the following fields:
Use this field To
Name Specify the name of the connection
Destination Specify the target variable to be connected
Source Specify the source variable to be connected
Port Connection Select if the destination is a port
Enabled Select if you wish the connection to be included
in the problem. Clear this to disable processing
of the connection in the problem.
Scale Specify the Scale multiplier in the connection
equation.
Bias Specify the Bias term in the connection equation.
Description Enter optional comments (72 characters max) to
associate with the connection equation.
The destination and the source can be any of the following:
• Open variables
• Aliases
• Streams
• Ports
Bias and Scale Equation oriented connections equate two variables. The equation
Factors in Equation is expressed in the form:
Oriented Connections destination = source x scale - bias
The Scale and Bias factors are used to modify the source value
when connected to the destination variable.
You enter Scale and Bias factors on the EO Configuration
Connection Configuration sheet.

24-8 • Transferring Information Between Streams or Blocks Aspen Plus 11.1 User Guide
 When you specify equation-oriented Connections, connection
Effects of Equation
Oriented Connections processing automatically adjusts the specifications of the variables
involved in order to preserve the net specification of a problem.
on Variable
Specifications

Aspen Plus 11.1 User Guide Transferring Information Between Streams or Blocks • 24-9
24-10 • Transferring Information Between Streams or Blocks Aspen Plus 11.1 User Guide
 C H A P T E R 25

Balance Blocks

Overview
Balance blocks only apply to sequential-modular simulations.
There is no equation-oriented equivalent.
You can use a Balance block to calculate heat and material
balances around an envelope of one or more unit operation blocks.
The Balance block updates stream variables entering or leaving the
envelope with the calculated results. For example, the Balance
block can calculate:
• Flow rate of make-up streams in recycle calculations. (This
eliminates Calculator blocks.)
• Feed stream flow rate and conditions, based on other stream
and block information. (This eliminates design specifications
and convergence loops.)
For help on balance blocks, see one of the following topics:
• Defining a Balance block
• Specifying blocks and streams for balance calculations
• Specifying and updating stream variables
• Sequencing Balance blocks
• Flash specifications
• Material and energy balance equations

Defining a Balance Block

Define a Balance block by:
1 Creating the Balance block.
2 Specifying blocks and streams for balance calculations.

Aspen Plus 11.1 User Guide Balance Blocks • 25-1

 3 Specifying and updating stream variables.
4 Sequencing balance blocks.
5 Optionally, specifying flash conditions.

Creating a Balance Block

To create a Balance block:
1 From the Data menu, select Flowsheeting Options, then
Balance.
2 On the Balance Object Manager, click the New button.
3 In the Create New ID dialog box, enter an ID or accept the
Default ID and click OK.
4 Select the Balance form you want to enter data on from left
pane of the Data Browser.
Form Sheet What is Specified
Setup Mass Blocks or streams to include in each
Balance material balance envelope
Energy Blocks or streams to include in each
Balance energy balance envelope
Equations Material and energy balance
relationships in addition to what is
specified on the Mass Balance and
Energy Balance sheets
Calculate Stream variables to calculate and update
after the mass and energy balance
calculations
Scale Stream scale factors
Advanced Parameters Optional convergence parameters,
including relative tolerance of balance
equation residuals
Sequence Optional execution sequence for the
balance block
Stream Flash Optional flash specifications for
specified streams. This sheet can also be
used to suppress automatic flash
calculations for streams updated by the
Balance block.
Diagnostics Levels of diagnostic output from the
balance block

25-2 • Balance Blocks Aspen Plus 11.1 User Guide

 Specifying Blocks and Streams for
Balance Calculations
Use the Mass Balance and Energy Balance sheets to specify blocks
or streams for a mass and energy balance envelope. The energy
balance equations are overall energy balances.
The mass balance equations can be any one of these:
• Overall. Do not specify Components, Component Groups, or
Substreams.
• Substream. Do not specify Components or Component Groups.
• Component balances
To specify blocks or streams for mass balance calculations:
1 Select the Mass Balance sheet.
2 On the Mass Balance Number field, click the down arrow and
select <new>.
3 In the New Item dialog box, specify an ID or accept the default
ID. The ID must be an integer.
4 Specify blocks or streams (inlets and outlets) to include in the
material balance envelope.
5 Specify components, component groups, or substreams,
depending on the material balance type.
6 If you want to enter more than one material balance, repeat
steps 2 through 5.
To specify blocks or streams for energy balance calculations:
1 Select the Energy Balance sheet.
2 On the Energy Balance Number field, click the down arrow
and select <new>.
3 In the New Item dialog box, specify an ID or accept the default
ID. The ID must be an integer.
4 Specify the blocks or streams (inlets and outlets) for the energy
balance envelope.
5 If you want to enter more than one energy balance, repeat steps
2 through 4.

Tip: If you want to delete an mass balance or energy balance, click

the right mouse button on the Mass Balance Number or the Energy
Balance Number field. From the popup menu, select Delete.

Use the Equations sheet to set up general molar/mass relationships

among the total or component flows of one or more streams. You
can also specify the mole and mass right hand side of a relation.

Aspen Plus 11.1 User Guide Balance Blocks • 25-3

 See Material and Energy Balance Equations for more information
about the form of the equations.

Specifying and Updating Stream

Variables
Use the Calculate sheet to specify which stream variables to
calculate by solving the mass and energy balance relationships.
You can specify to update these variables after they are calculated.
To solve the balance equations, the total number of variables
specified on this form must equal the total number of equations
specified on the Mass Balance and Energy Balance sheets. .
Aspen Plus can calculate these types of flow variables:
• Total flow rate. The stream composition remains the same.
• Substream flow rates. The stream composition remains the
same.
• Component flow rates of all applicable substream/component
combinations
If you do not specify substreams when you specify component
flows, Aspen Plus calculates the component flow rate of the
default substream. The default substream for a specified
component is the first substream containing that component.

Convergence Parameters
Use the Advanced Parameters sheet to:
• Specify Balance block convergence parameters
• Check additional implicit mass balance equations
• Adjust the maximum number of iterations, the relative
tolerance of the balance equation residuals, and the relative
tolerance of calculated variables
The implicit mass balance equations are any mass balance or
mass/mole relationships which do not involve any variables to be
calculated or material balance equations for the energy balance.
The additional mass balance equations are checked by default, and
if they are out of balance, the calculated variables are not updated.
It is possible to update calculated variables even if the equations
are out of balance. You can choose not to check the additional
mass balance equations.

25-4 • Balance Blocks Aspen Plus 11.1 User Guide

 Sequencing Balance Blocks
Use the Advanced Sequence sheet to specify when to execute a
Balance block.:
A Balance block can be sequenced automatically or manually. In
automatic sequencing the Balance block executes before any unit
operation block with a feed stream updated by this Balance block.
In some cases, Aspen Plus places the Balance block within a
convergence loop. You can control whether the block executes
only once (for example, for initializing a tear stream) or always
(for example, for makeup calculations).

Flash Specifications
Use the Stream Flash sheet to specify thermodynamic conditions
or suppress automatic flash calculations for streams updated by a
balance block. Aspen Plus automatically flashes an updated stream
unless the only updated variable is the total flow.

Material and Energy Balance

Equations
When the number of variables exceeds the number of equations,
you must enter the unknown variables to be calculated on the
Calculate form. Since the system of equations is linear, Aspen Plus
solves the unknown variables directly. You can specify that the
corresponding stream variables are updated.
Aspen Plus uses the following material and energy balance
equations:
Overall mass balance:
NM

∑S σ F
i =1
i i i =0

Substream mass balance for j=1 to NSS:

NM
∑ S i Fi f ij = 0
i =1

Component mass balance for k=1 to NC, j=1 to NSS:

NM

∑S F f
i =1
i i ij Z ijk = 0

Aspen Plus 11.1 User Guide Balance Blocks • 25-5

 Overall energy balance:
NM NH NW

∑S σ Fh +∑S σ
i i i i j j H j + ∑ S k σ k Wk = RHS
i =1 j =1 k =1

Where:
Si = +1 for inlet streams, -1 for outlet streams

σi = Stream scale factor

Fi = Mass flow of stream i

f ij = Mass fraction of substream j in stream i

Z ijk = Mass fraction of component k in substream j of

stream i
NM = Number of combined inlet and outlet material
streams
NH = Number of combined inlet and outlet heat streams
NW = Number of combined inlet and outlet work streams
NSS = Number of substreams within material streams
NC = Number of components specified on the
Components Specifications or Components
Comp-Group forms
hi = Mass enthalpy of stream i

Hj = Heat flow of heat stream j

Wk = Work of work stream k

RHS = Right-hand side of the energy balance equation
On the Equations sheet, you can specify additional material
relationships, which span components in various streams. This is
useful for reactive systems. When you specify additional
relationships, Aspen Plus uses the following mole/mass balance
equations for the component mole/mass balance equation:
NTi

∑C ij Fij = RHS i
j =1

25-6 • Balance Blocks Aspen Plus 11.1 User Guide

 Where:
C ij = Coefficient of Term j in equation i

Fij = Mole/mass flow Term j in equation i as

determined by Stream, Substream, and
Component of the term
RHS i = Right-hand side of mole/mass equation i

NTi = Number of terms in mole/mass equation i

Example of Backward Flow rates of the two outlet streams from HeatX are given. Flow
Calculations Using a rates of the two inlet streams into HeatX need to be calculated.
Balance Block Both the inlet and the outlet streams are specified, but the flow
rates specified for the two inlets are just dummy numbers.
The final values for the calculated variables are found on the
Calculated Variables sheet. In this example, the mass flow of the
two inlet streams, H2OIN and MECHIN are calculated.
Example of Calculating a Use a balance block to calculate the required flow rate of cooling
Coolant Flow Rate water in order to cool a stream of methanol from 150 F to 100 F.
A Balance block will eliminate the need for a Design specification
and a convergence loop.
150 F, 14.7 PSI 100 F, 14.7 PSI
MEOHIN Hot-Side MEOHOUT

H2OOUT Cold-Side H2OIN

Spec = 80 F 50 F, 14.7 PSI

Aspen Plus 11.1 User Guide Balance Blocks • 25-7

25-8 • Balance Blocks Aspen Plus 11.1 User Guide
 C H A P T E R 26

Case Study

Overview
Case Study only applies to sequential-modular simulations. There
is no equation-oriented equivalent.
This section includes information about:
• Using Case Study
• Creating a Case Study
• Identifying Case Study variables
• Specifying values for Case Study variables
• Specifying report options for Case Study

Using Case Study

After you run a base-case simulation, you may want to run several
parametric cases for the same flowsheet. You can use the Case
Study tool to run multiple simulation cases for the same flowsheet
when you make batch runs. Case Study will perform a flowsheet
simulation for each case in a series. The Case Study block does not
affect the base-case simulation or the base-case report.
Aspen Plus generates a report for each case. You can tailor the
case reports to contain only those report sections of interest.
Aspen Plus ignores a Case Study block when you make interactive
runs from the user interface.

Aspen Plus 11.1 User Guide Case Study • 26-1

 Creating a Case Study
To create a Case Study:
1 From the Data menu, point to Model Analysis Tools, then Case
Study.
2 On the Case Study Setup Vary sheet, identify the variables you
want to change from case to case. See Identifying Case Study
Variables.
3 On the Case Study Setup Specifications sheet, specify values
for the case study variables for each case. See Specifying
Values for Case Study Variables.
4 If you want to specify report options, use the Case Study
ReportOptions form. See Specifying Report Options for Case
Studies.

Identifying Case Study Variables

Use the Case Study Setup Vary sheet to identify flowsheet
variables you want to change from case to case. You can only
change block input, process feed stream, and other input variables.
Result variables cannot be modified directly.
To identify the variables you want to change from case to case:
1 On the Case Study Setup form, select the Vary tab.
2 On the Variable Number field, click the down arrow and select
<new> from the list.
3 In the Manipulated Variable Type field, select a variable type.
4 Aspen Plus automatically shows the fields necessary to
uniquely identify the flowsheet variables. Complete the fields
to define the variable. See Accessing Flowsheet Variables, for
more information on accessing variables.
5 You have the option of labeling the variables for the report.
Use the Report Labels Line 1 to Line 4 fields to define these
labels.
6 Repeat steps 2-5 until you have identified all case study
variables.

26-2 • Case Study Aspen Plus 11.1 User Guide

 Specifying Values for Case Study
Variables
Use the Case Study Setup Specifications sheet to specify values for
the case study variables.
To specify values for case study variables:
1 On the Case Study Setup form, select the Specifications tab.
2 On the Case Number field, click the down arrow and select
<new> from the list.
3 In the New Item dialog box, enter an ID or accept the default
ID. The ID must be an integer.
4 In the Values for Manipulated Variable field, enter a value for
each variable. Enter multiple variable values in the same order
as you identified them on the Vary sheet.
5 To enter another case, repeat steps 2 and 3 until you have
defined all the cases you want to run.
On the Case Study Setup Specifications sheet, you can also:
• Reset convergence and unit operation restart flags for blocks
• Restore initial values for tear streams and feed streams
• Enter the case report description
Resetting Initial Use the Case Study Setup Specifications sheet to reset
Values convergence and unit operation reinitialization options for blocks.
You can also restore initial values for tear streams, feed streams
manipulated by design specifications, optimization blocks, and
Calculator blocks. By default, blocks or streams are not
reinitialized. It is usually most efficient to begin the calculation for
a new case with the results of the previous case.
To reinitialize blocks:
1 On the Case Study Setup form, select the Specifications tab.
2 In the Blocks to be Reinitialized field, select either Include
Specified Blocks or Reinitialize All Blocks.
3 If you choose Include Specified Blocks, select the unit
operation blocks and/or the convergence blocks to be
reinitialized.
To reinitialize streams:
1 On the Case Study Setup form, select the Specifications tab.
2 In the Streams to be Reinitialized field, select either Include
Specified Streams or Reinitialize All Streams.
3 If you choose Include Specified Streams, select the streams to
be reinitialized.

Aspen Plus 11.1 User Guide Case Study • 26-3

 Use the Case Study Setup Specifications sheet to enter the case
Entering a
report description, which will appear as a title in the case report.
Description
To enter a case report description:
1 On the Case Study Setup form, select the Specifications tab.
2 Click the Description button.
3 Enter the description
4 Click Close.

Specifying Report Options for Case

Studies
Use the Case Study ReportOptions form to specify which sections
of the report to include or suppress in the case reports. A separate
report is generated for each case and appended to the report file. If
you specified report options for the base case on the Setup
ReportOptions form, and would like the same options for the case
reports, you must re-specify the report options on the Case Study
ReportOptions sheet.
Any options for Block reports which you specified for the base
case on the Setup ReportOptions Block sheet or on the
BlockOptions ReportOptions sheet for the block also applies to the
case reports.
The following table shows what you can specify and where:
To specify ReportOptions
Sheet
Whether to generate a report file and which General
sections of the report to include
Which flowsheet option reports to include in the Flowsheet
report file
Which block reports to include in the report file Block
Which streams to include in the report file and the Stream
format for the streams
Whether to generate additional stream reports, and Supplementary
if so the streams to include in the report file and the Stream
format for the streams

26-4 • Case Study Aspen Plus 11.1 User Guide

 C H A P T E R 27

Specifying Reactions and

Chemistry

Overview
This chapter describes how to define reaction systems in
Aspen Plus including:
• About Reactions and Chemistry
• About Electrolytes Chemistry
• Specifying Electrolytes Chemistry
• Specifying Power Law Reactions for Reactors and Pressure
Relief Systems
• Reactions With Solids
• Specifying LHHW Reactions for Reactors and Pressure Relief
Systems
• Specifying Reactions for Reactive Distillation
• Using a User Kinetic Subroutine

About Reactions and Chemistry

There are two types of reaction systems and Aspen Plus uses
different methods for simulating them:
Type of reaction Description Use this Data
system Browser Form
Electrolytes Reactions involving the formation Chemistry
solution chemistry of ionic species
Non-electrolyte Rate-controlled or equilibrium Reactions
reactions limited. For reactors and reactive
distillation modeling.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-1
 Reactions Rate-controlled and non-electrolyte equilibrium reactions are
specified as Reaction IDs that can be referenced in kinetic reactors,
columns, and pressure relief calculations. These reactions can be
used by:
• RadFrac, RateFrac, and BatchFrac for reactive distillation
• RBatch, RCSTR, and RPlug, the kinetics-based reactor models
• Pressure Relief model for pressure relief calculations in
reactive systems
The reaction kinetics of rate-based reactions can be represented
using any of the following expressions:
• Power Law kinetic model
• Langmuir-Hinshelwood-Hougen-Watson (LHHW) kinetic
model (not applicable to reactive distillation systems)
• User-defined kinetic model
Chemistry Electrolyte solution chemistry is specified as a Chemistry ID that
can be referenced on the Properties Specification Global sheet and
on the BlockOptions Properties sheets for individual unit operation
blocks. Unlike non-electrolyte reactions which are specified and
executed only within certain unit operation blocks and pressure
relief calculations, electrolyte chemistry definitions become part of
the physical property specifications for a simulation or flowsheet
section. They are used for all calculations (in any stream or unit
operation block ) which use that property specification.

About Electrolytes Chemistry

In electrolyte systems, molecular species dissociate partially or
completely in solution and/or precipitate as salts. Examples include
the following systems:
• Sour water (H2S-NH3-CO2-Water)
• Amines
• Acids (HCl-Water)
• Brine (NaCl-Water)
Electrolyte systems are characterized by their base molecular
components (the apparent components), and by:
• Species resulting from dissociation and/or precipitation, such
as ions and salts
• Compounds formed through chemical reactions among the
species

27-2 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 There are three types of electrolyte reactions:
Type Example
Partial dissociation equilibria † HCl + H2O ↔ H3O+ + Cl-
Salt precipitation equilibria † NaCl (Salt) ↔ Na+ + Cl-
Complete dissociation NaCl (liquid phase) → Na+ + Cl-
† Equilibrium constants are required to model these reactions.
They can be calculated from correlations (as a function of
temperature) or from Gibbs free energy.
Collectively the species and reactions are referred to as the
electrolytes chemistry. Electrolytes chemistry must be modeled
correctly for accurate simulation results. Normally this requires
expert knowledge of the solution chemistry. In most cases,
however, the Aspen Plus Electrolytes Wizard can generate the
species and reactions for you, using a built-in knowledge base of
reactions, equilibrium constant data, and possible ionic species.

Specifying Electrolytes Chemistry

To specify the electrolytes chemistry for a simulation, you must:
1 Define the complete set of components present (including ions,
salts, and other species generated by reaction) on the
Components Specification Selection sheet.
2 Define the stoichiometry and reaction type, using the Reactions
Chemistry Stoichiometry sheet.
3 Specify the concentration basis, the temperature approach to
equilibrium, and coefficients for the equilibrium constant
expression, using the Reactions Chemistry
EquilibriumConstants sheet.
It is recommended that you use the Electrolytes Wizard to define
both the components and reactions. The Electrolytes Wizard:
• Uses a built-in knowledge base to generate the electrolyte
components and reactions
• Accesses the Aspen Plus electrolytes reaction database for
equilibrium constant data
You can define your own electrolyte chemistry, or you can view or
modify the chemistry generated by the Electrolytes Wizard.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-3
 To define, view, or modify electrolyte chemistry:
1 From the Data menu, point to Reactions then Chemistry.
2 To create a new Chemistry ID, click New on the Reactions
Chemistry Object Manager. Enter an ID in the Create new ID
dialog box or accept the default ID, and click OK.
3 To modify an existing Chemistry ID, select its name in the
Object Manager and choose Edit.
4 Follow the instructions in subsequent sections for details on
defining each type of reaction within a Chemistry ID.
The following sections explain how to create new reactions within
an existing Chemistry ID, by specifying stoichiometry and
calculations options for the equilibrium constant. You can specify
any number of reactions within a Chemistry ID.
You also can have any number of Chemistry IDs in your
simulation. Because the Chemistry ID becomes part of the total
Property Method definition, you can specify different Chemistry
IDs anywhere you use different Property Methods, such as
flowsheet sections or individual unit operation blocks.
Defining Equilibrium ionic reactions describe the partial dissociation of
Stoichiometry for weak electrolytes and other liquid phase equilibria. Each
Electrolytes equilibrium ionic reaction within a Chemistry ID is referenced
Chemistry with a reaction number (for example, 1, 2, 3, etc.)
Equilibrium Ionic To define a new reaction number and specify the stoichiometry for
Reactions an ionic equilibrium reaction:
1 On the Reactions Chemistry Stoichiometry sheet for your
Chemistry ID, click New.
2 On the Select Reaction Type dialog box, Equilibrium is the
default reaction type. Enter an ID or accept the default ID and
click OK. The ID must be an integer.
3 On the Equilibrium Reaction Stoichiometry dialog box, enter
the components and stoichiometric coefficients that make up
your reaction. Coefficients should be negative for reactants and
positive for products.
4 Click Close when finished. You should see your new reaction
listed on the Stoichiometry sheet with the information
displayed in equation form.
5 Repeat steps 1-4 for each additional ionic equilibrium reaction.
Salt Precipitation Salt precipitation reactions describe the formation or dissolution of
Reactions salts in equilibrium with the liquid phase. Each salt precipitation
reaction within a Chemistry ID is referenced by the component
name of the salt.

27-4 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 To define the stoichiometry for a new salt precipitation reaction:
1 On the Reactions Chemistry Stoichiometry sheet for your
Chemistry ID, click New.
2 On the Select Reaction Type dialog box, select Salt in the
Choose Reaction Type frame.
3 In the Enter Salt Component ID field, select the name of the
salt for which you are defining the reaction, and click OK.
4 On the Salt Dissolution Stoichiometry dialog box, enter the
components and stoichiometric coefficients for the products
(ions) formed by the dissolution of the salt.
5 Click Close when finished. You should see your new reaction
listed on the Stoichiometry sheet with the information
displayed in equation form.
6 Repeat steps 1-5 for each additional salt precipitation reaction.
Complete Dissociation Complete dissociation reactions describe the complete dissociation
Reactions of strong electrolytes in the liquid phase. These reactions do not
have equilibrium constants. Each complete dissociation reaction
within a Chemistry ID is referenced by the name of the
dissociating component.
To define the stoichiometry for a new complete dissociation
reaction:
1 On the Reactions Chemistry Stoichiometry sheet for your
Chemistry ID, click New.
2 On the Select Reaction Type dialog box, select Dissociation in
the Choose Reaction Type frame.
3 In the Enter Dissociating Electrolyte field, select the name of
the component for which you are defining the reaction, and
click OK.
4 On the Electrolyte Dissociation Stoichiometry dialog box, enter
the components and stoichiometric coefficients for the
dissociation products.
5 Click Close when finished. You should see your new reaction
listed on the Stoichiometry sheet with the information
displayed in equation form.
6 Repeat steps 1-5 for each additional complete dissociation
reaction.
Defining Equilibrium Equilibrium constants are required to model equilibrium ionic
Constants for reactions and salt precipitation reactions. Aspen Plus can calculate
Electrolytes these equilibrium constants from correlations (as a function of
Chemistry temperature) or from reference state Gibbs free energy (available
in the Aspen Plus databanks).

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-5
 To define how the equilibrium constants will be calculated for the
equilibrium ionic reactions and salt precipitation reactions within
your Chemistry ID:
1 On the Reactions Chemistry form for your Chemistry ID, select
the Equilibrium Constants sheet.
2 Choose the concentration basis for equilibrium constants in the
Concentration Basis For Keq list. The concentration basis
determines how the equilibrium constant is calculated:
Concentration Basis Equilibrium Constant Definition
Mole-Frac (default) K = Π ( xi γ i )ν i
Molal K = Π (mi γ i )ν i
Where:
K = Equilibrium constant
x = Component mole fraction
m = Molality (gmole/kg-H2O)
γ = Activity coefficient
ν = Stoichiometric coefficient
i = Component index
Π is the product operator.
All properties refer to the liquid phase.
3 You can specify a Temperature Approach to Equilibrium that
applies to all ionic equilibrium and salt precipitation reactions
defined in the Chemistry ID. The temperature approach you
specify is added to the stream or block temperature to compute
the equilibrium constants. If you do not specify a temperature
approach, Aspen Plus uses a default value of 0.
4 Use the Hydrate-Check field to select the method that
Aspen Plus uses to determine which hydrate to precipitate
when you have specified multiple hydrates as precipitation
reactions for a salt.
Hydrate-check Method Information
Rigorous (default) Uses Gibbs free energy minimization to
select the hydrate. Allows Aspen Plus to
predict the formation of the correct hydrate
for salts with multiple hydrates.
Approximate Uses the lowest solubility product value at
the system temperature to select the hydrate.
Requires less computation time than the
rigorous method.
5 Select the appropriate reaction type (Equilibrium Reaction or
Salt), and choose the appropriate reaction from the list.

27-6 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 6 Leave the equilibrium coefficients blank.
– or –
Enter coefficients for the built-in equilibrium constant
expression:
ln (Keq) = A + B / T + C*ln (T) + D*T
Where:
Keq = Equilibrium constant
T = Temperature in Kelvin
A, B, C, D = User supplied coefficients
The definition of K depends on the concentration basis
selected.
If coefficients are not entered, Aspen Plus computes the
equilibrium constant from the reference state Gibbs free
energies of formation.
Repeat steps 5 and 6 for all ionic equilibrium reactions and salt
precipitation reactions included in the Chemistry ID. Because
complete dissociation reactions do not have equilibrium constants,
nothing on the Equilibrium Constants sheet applies to reactions of
this type.

Specifying Power Law Reactions for

Reactors and Pressure Relief
Systems
Powerlaw Reaction IDs can represent equilibrium reactions, or
rate-controlled reactions represented by the power law. To use a
Powerlaw Reaction ID in the Aspen Plus reactor models RCSTR,
RPlug, and RBatch, or for the pressure relief calculations in
Pres-Relief, you need to:
• Define the type and stoichiometry of the reactions
• Enter equilibrium or kinetic parameters
RPlug, RBatch, and Pres-Relief can handle rate-controlled
reactions. RCSTR can handle both rate-controlled and equilibrium
reactions.
To create a new Powerlaw Reaction ID:
1 From the Data menu, point to Reactions then Reactions.
2 To create a new Reaction ID, click New in the Reactions
Object Manager.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-7
 3 In the Create New ID dialog box, enter a reaction ID in the
Enter ID field, or accept the default ID.
4 Select Powerlaw in the Select Type list, and click OK.
Once the Reaction ID is created, Aspen Plus brings you to the
Stoichiometry sheet where you can begin defining reactions
within the Reaction ID. There are two types of reactions
allowed in a Powerlaw type Reaction ID.
Type For
Equilibrium Equilibrium reactions
Kinetic Rate-controlled reactions
5 To specify the individual reactions within your reaction ID,
follow the instructions in subsequent sections for the type of
reaction you want to create.
Equilibrium To add equilibrium type reactions to your Powerlaw Reaction ID:
Reactions (for RCSTR 1 Click New on the Reactions Stoichiometry sheet of your
only) Powerlaw Reaction ID.
2 On the Edit Reaction dialog box, select Equilibrium from the
Reaction Type list. The reaction number is entered
automatically.
3 Enter components and stoichiometric coefficients to define the
reaction. Coefficients should be negative for reactants and
positive for products. You should not specify exponents for
equilibrium reactions.
4 Click Close when finished. You should see your new reaction
number, type, and equation displayed on the Stoichiometry
sheet.
5 Repeat steps 1 through 4 for each additional equilibrium
reaction.
6 Select the Equilibrium tab on the Reactions form to open that
sheet.
7 On the Equilibrium sheet, select a reaction from the list at the
top of the sheet.
8 Specify the phase in which the reaction will occur in the
Reacting Phase list. The default is the liquid phase.
9 If the reaction does not actually reach equilibrium, you can
enter a temperature approach to equilibrium in the Temperature
Approach to Equilibrium field. The number of degrees you
enter will be added to the reactor temperature to compute the
equilibrium constant.
10 Choose whether you want to compute Keq from Gibbs energies
or from a built in polynomial expression by selecting the
appropriate option.

27-8 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 If you choose Compute Keq From Gibbs Energies, you do not
need to enter coefficients for the equilibrium constant.
Aspen Plus will compute the Keq from the reference state
Gibbs free energy of the components.
11 If you choose Compute Keq From Built-In Expression, enter
coefficients for the built-in equilibrium constant expression,
and choose a basis for the equilibrium constant:
ln Keq = A + B/T + C*ln(T) + D*T
Where:
Keq = Equilibrium constant
T = Temperature in Kelvin
A, B, C, D = User-supplied coefficients
The definition of Keq depends on the basis you select in the
Keq Basis list.
Keq Basis Equilibrium Constant Definition
Mole gamma (default) Keq = Π (xi γi)υi (liquid only)
Molal gamma Keq = Π (mi γi)υi (electrolytes, liquid only)
Mole fraction Keq = Π (xi)υi
Mass fraction Keq = Π (xim)υi
Molarity Keq = Π (Ci)υi
Molality Keq = Π (mi)υi (liquid only)
Fugacity Keq = Π (fi)υi
Partial pressure Keq = Π (pi)υi (vapor only)
Mass concentration Keq = Π (Cim)υi
Where:
Keq = Equilibrium constant
x = Component mole fraction
m
x = Component mass fraction
C = Molarity (kgmole/m3)
m = Molality (gmole/kg-H2O)
γ = Activity coefficient
f = Component fugacity (N/m2)
p = Partial pressure (N/m2)
m
C = Mass concentration (kg/m3)
υ = Stoichiometric coefficient (positive for products,
negative for reactants)
i = Component index
Π is the Product operator
12 If solids are present, click the Solids button and select the
appropriate options for calculation of concentration. For more
information, see Reactions With Solids.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-9
 13 Repeat steps 7 through 12 for each equilibrium reaction.
Rate-Controlled To add kinetic type reactions to your Powerlaw Reaction ID:
Reactions 1 Click New on the Reactions Stoichiometry sheet of your
Powerlaw Reaction ID.
2 On the Edit Reaction dialog box, Reaction Type defaults to
Kinetic, and the reaction number is entered automatically.
Enter components and stoichiometric coefficients to define the
reaction. Coefficients should be negative for reactants and
positive for products.
3 Specify power law exponents for the components. These
exponents represent the order of the reaction with respect to
each component. If you do not specify an exponent for a
component, Aspen Plus uses a default value of 0.
4 Click Close when finished. You should see your new reaction
number, type, and equation displayed on the Stoichiometry
sheet.
5 Repeat steps 1 through 4 for each additional kinetic reaction.
6 Select the Kinetic sheet.
7 On the Kinetic sheet, select a reaction from the list at the top of
the sheet.
8 Specify in which phase the reaction will take place in the
Reacting Phase field. The default is the liquid phase.
9 Enter the pre-exponential factor (k), the temperature exponent
(n), and the activation energy (E) in the appropriate fields. The
pre-exponential factor must be in the SI units described later in
this section. The temperature exponent refers to temperature in
Kelvin.
10 In the [Ci] Basis list, select the concentration basis. The
concentration basis determines which form of the power law
expression will be used, as discussed later in this section.
11 If solids are present, click the Solids button and select the
appropriate options for calculation of concentration. For more
information, see Reactions With Solids.
12 Repeat steps 7 through 11 for each kinetic reaction.

27-10 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 The power law expression depends on the concentration basis you
select in the [Ci] Basis list:
[Ci] Basis Power Law Expression Power Law Expression
(To is not specified) (To is specified)

r = kT n e − E / RT ∏ (Ci ) r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ (Ci )

Molarity (default) αi αi

r = kT n e− E / RT ∏ (mi ) r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ (mi )

Molality αi αi
(electrolytes only)
r = kT n e− E / RT ∏ ( xi ) r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ ( xi )
Mole fraction αi αi

Mass fraction
( )
r = kT n e− E / RT ∏ xim
αi
( )
r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ xim
αi

r = kT n e − E / RT ∏ ( pi ) r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ ( pi )
Partial pressure αi αi
(vapor only)
Mass concentration
( )
r = kT n e − E / RT ∏ Cim
αi
( )
r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ Cim
αi

Where:
r = Rate of reaction
k = Pre-exponential factor
T = Temperature in degrees Kelvin
To = Reference temperature in degrees Kelvin
n = Temperature exponent
E = Activation energy
R = Universal gas law constant
x = Mole fraction
xm = Mass fraction
C = Molarity (kgmole/m3)
m = Molality (gmole/kg-H2O)
m
C = Mass concentration (kg/m3)
p = Partial pressure (N/m2)
α = Concentration exponent
i = Component index
Π is the product operator.
The units of the reaction rate and the pre-exponential factor depend
on the:
• Order of the reaction
• Concentration basis selected in the [Ci] Basis list box

Reactions With Solids

When modeling reactive systems containing solids, there are many
ways to account for the effect of these solids in your simulation.
Aspen Plus provides calculation options to appropriately model the
effect of your solids on the reaction stoichiometry, the reaction

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-11
 rate, and volume basis for concentrations. The information in this
section is designed to help you specify Reaction IDs that most
accurately reflect your reactions.
Stoichiometry and When specifying a reaction on the Edit Reaction dialog box:
Reaction Rate For Solids that Specify
Participate in reactions and Both stoichiometric coefficients and
control the reaction rate. exponents.
Participate in reactions without Only the stoichiometric coefficients
controlling the reaction rate. for these solids, without entering
exponents.
Act as catalysts by controlling Only the exponents for these solids,
reaction rates without without entering stoichiometric
participating in the reactions. coefficients.
Are inert. Neither stoichiometric coefficients nor
exponents.
Volume Basis for When specifying information for the calculation of an equilibrium
Concentrations constant for equilibrium reactions, or a reaction rate for kinetic
reactions, solid components can either be included or ignored in
the denominator term of concentrations. To control how these
calculations are performed, use the Solids button on Equilibrium
sheet or the Kinetic sheet of your Reaction ID.
The Solids dialog box allows the following specifications with
regard to the denominator term of component concentrations:
• For liquid and vapor component concentrations, you can
include the reacting phase only, or the reacting phase and the
solid phase, by clicking the appropriate option in the For
Liquid or Vapor Component frame. The default is to include
only the reacting phase.
• For solid component concentrations, you can include the solid
phase only, or the solid and total liquid phases, by clicking the
appropriate option in the For Solid Component frame. The
default is to include only the solid phase.
• For wolid component concentrations, you can also include
solid components in all substreams, or only those in the
substream of the reacting solid, by click the appropriate option.
The default is to include solids in all substreams.

27-12 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 Specifying LHHW Reactions for
Reactors and Pressure Relief
Systems
To specify Langmuir-Hinshelwood-Hougen-Watson (LHHW)
kinetics for the reactor models RCSTR, RPlug, and RBatch, or for
the pressure relief calculations in Pres-Relief, you need to:
• Define the type and stoichiometry of the reactions
• Enter equilibrium or kinetic parameters
• Specify optional adsorption expressions
To specify LHHW reactions:
1 From the Data menu, point to Reactions, then Reactions.
2 On the Reactions Object Manager, click New to create a new
Reaction ID.
3 In the Create New ID dialog box, enter a reaction name in the
Enter ID field, or accept the default ID.
4 Select LHHW in the Select Type list, and click OK.
Once the Reaction ID is created, you can begin defining
reactions within the Reaction ID. There are two types of
reactions allowed in a LHHW type Reaction ID.
Type For
Equilibrium Equilibrium reactions
Kinetic Rate-controlled reactions
To specify the individual reactions within your LHHW Reaction
ID, follow the instructions in subsequent sections for the type of
reaction you want to create.
Equilibrium Specify equilibrium reactions for LHHW the same way as for
Reactions for LHHW Powerlaw reactions. See Specifying Power Law Reactions for
(for RCSTR only) Reactors and Pressure Relief Systems

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-13
 For rate-controlled reactions, the LHHW rate expression can be
Rate-Controlled
written as:
Reactions for LHHW
( kinetic factor)(driving force expression )
γ =
(adsorption expression)
Where:
Kinetic factor (if To is specified) = T 
n

k   e (− Ea / R )[1 / T −1 / To ]
 To 
Kinetic factor (if To is not specified) = kT n e − Ea / RT
Driving force expression = ( )
K1 ∏ Civi − K 2 ∏ C j j ( v
)
Adsorption expression = {ΣK (∏ C )}
i
vj
j
m

Where:
r = Rate of reaction
k = Pre-exponential factor
T = Temperature in Kelvin
To = Reference temperature in Kelvin
n = Temperature exponent
Ea = Activation energy
R = Universal gas law constant
C = Component concentration
m = Adsorption expression exponent
K1 , K 2 , K i = Equilibrium constants

υ = Concentration exponent
i, j = Component index
Π is the product operator, and Σ is the summation operator.
The concentration terms Ci and Cj depend on the concentration
basis you select:
[Ci] basis Concentration term C
Molarity Component molar concentration (kgmole/m3)
Molality Component molality (gmole/kg H2O)
Mole fraction Component mole fraction
Mass fraction Component mass fraction
Partial pressure Component partial pressure (N/m2)
Mass concentration Component mass concentration (kg/m3)

27-14 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 To add kinetic type reactions to your LHHW Reaction ID:
1 Click New on the Reactions Stoichiometry sheet of your
LHHW Reaction ID.
2 On the Edit Reaction dialog box, Reaction Type defaults to
Kinetic, and the reaction number is entered automatically.
Enter components and stoichiometric coefficients to define the
reaction. Coefficients should be negative for reactants and
positive for products.
3 Click Close when finished. You should see your new reaction
number, type, and equation displayed on the Stoichiometry
sheet.
4 Repeat steps 1 through 3 for each additional kinetic reaction.
5 Select the Kinetic sheet.
6 On the Kinetic sheet, select a reaction from the list at the top of
the sheet.
7 Specify in which phase the reaction will take place using the
Reacting Phase list. The default is the liquid phase.
8 Enter the pre-exponential factor (k), the temperature exponent
(n), and the activation energy (E) in the appropriate fields of
the Kinetic Factor frame. The pre-exponential factor must be in
the SI units described in Specifying Power Law Reactions for
Reactors and Pressure Relief Systems. The temperature
exponent refers to temperature in Kelvin.
9 If solids are present, click the Solids button and select the
appropriate options for calculation of concentration. For more
information, see Reactions With Solids.
10 Click the Driving Force button.
11 On the Driving Force Expression dialog box, select the
concentration basis in the [Ci] Basis list. See Specifying Power
Law Reactions for Reactors and Pressure Relief Systems for
the definitions of the concentration basis options.
12 With the Enter Term value at the default of Term 1, enter the
concentration exponents for reactants and products, and the
coefficients for the driving force constant (A, B, C, and D) for
term 1 of the driving force.
13 Select Term 2 in the Enter Term list.
14 Enter the concentration exponents for reactants and products,
and the coefficients for the driving force constant (A, B, C, and
D) for term 2 of the driving force expression.
15 Click Close when finished with both terms.
16 To specify optional adsorption expressions, click the
Adsorption button.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-15
 17 On the Adsorption Expression dialog box, enter the overall
exponent for the adsorption term in the Adsorption Expression
Exponent field.
18 Specify concentration exponents by selecting components and
entering an exponent for each term in the adsorption
expression.
19 Specify adsorption constants by entering the Term No. and
specifying the coefficients.
The coefficients are for the following correlation:
ln Ki = Ai + Bi/T + Ci * ln(T) + Di * T
Where:
Ki = Equilibrium constant
T = Temperature in Kelvin
Ai, Bi, Ci, Di = User-supplied coefficients
20 Repeat steps 6 through 19 for each additional LHHW kinetic
reaction.

Specifying Reactions for Reactive

Distillation
To specify reactions for reactive distillation in the distillation
models, RadFrac, BatchFrac, and RateFrac, use the Reactions
REAC-DIST forms to:
• Define reaction stoichiometry
• Enter equilibrium or kinetic parameters
• Specify parameters for user-defined kinetics
For RadFrac and RateFrac, you can also use the Reactions User
forms to specify user-defined kinetics (see Using a User-Kinetics
Subroutine, ). The Reactions User forms is preferred because you
can use the same user-defined kinetics in reactor or pressure relief
calculations.
To create a new distillation reaction ID:
1 From the Data menu, point to Reactions then Reactions.
2 On the Reactions Object Manager, click New to create a new
Reaction ID.
3 In the Create New ID dialog box, enter a reaction name in the
Enter ID field, or accept the default ID.
4 Select REAC-DIST in the Select Type list, and click OK.

27-16 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 Once the Reaction ID is created, you can begin defining
reactions within the Reaction ID. There are four types of
reactions allowed in a Reac-Dist Reaction ID.
Type For
Equilibrium Equilibrium reactions
Kinetic Rate-controlled reaction
Conversion Fractional conversion reaction (RadFrac only)
Salt Electrolyte salt precipitation (RadFrac only)
5 To specify the individual reactions within your Reac-Dist
reaction ID, follow the instructions in subsequent sections for
the type of reactions listed in the previous table.
Equilibrium To add equilibrium type reactions to your Reaction ID:
Reactions 1 Click New on the Reactions Stoichiometry sheet of your Reac-
Dist Reaction ID.
2 In the Select Reaction Type dialog box,
Kinetic/Equilibrium/Conversion is the default reaction type.
Accept the default Reaction No. displayed or enter a new
Reaction No. Click OK.
3 On the Edit Reaction dialog box, Reaction Type defaults to
Equilibrium. Enter components and stoichiometric coefficients
to define the reaction. Coefficients should be negative for
reactants and positive for products. You should not specify
exponents for equilibrium reactions.
4 Click Close when finished. You should see your new reaction
number, type, and equation displayed on the Stoichiometry
sheet.
5 Repeat steps 1 through 4 for each additional equilibrium
reaction.
6 Click the Equilibrium sheet.
7 On the Equilibrium sheet, select a reaction from the list at the
top of the sheet.
8 Specify the phase in which the reaction will occur in the
Reacting Phase list. The default is the liquid phase.
9 Specify a calculation basis for the equilibrium constant by
selecting an option in the Keq Basis list. The basis you choose
defines how the equilibrium constant will be calculated, as
discussed later in this section.
10 If the reaction does not actually reach equilibrium, you can
specify Temperature Approach to Equilibrium. The
temperature approach you enter will be added to the stage
temperature to compute the equilibrium constant.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-17
 11 Choose whether you want to compute Keq from Gibbs energies
or from a built in polynomial expression by selecting the
appropriate radio button.
If you choose Compute Keq From Gibbs Energies, you do not
need to enter coefficients for the equilibrium constant.
Aspen Plus will compute Keq from the reference state Gibbs
free energy of the components. You can skip to step 12.
12 If you choose Compute Keq From Built-In Expression, you
must enter coefficients for the built-in equilibrium constant
expression:
ln Keq = A + B/T + C*ln(T) + D*T
Where:
Keq = Equilibrium constant
T = Temperature in Kelvin
A, B, C, D = User-supplied coefficients
The definition of Keq depends on the basis you select in the
Keq Basis list box.
Kbasis Equilibrium Constant Definition
Mole gamma (default) K = ∏ ( xiγ i )υ i
(liquid only)
Molal gamma K = ∏ (miγ i ) υi
(electrolytes, liquid only)
Mole fraction K = ∏ ( xi )υ i
Mass fraction K = ∏ ( xim )υ i
Molarity K = ∏ (Ci )υ i
Molality K = ∏ (mi )υ i
(liquid only)
Fugacity K = ∏ ( fi ) υi

Partial pressure K = ∏ ( pi )υ i
(vapor only)
Mass concentration K = ∏ (Cim )υ i
Where:
K = Equilibrium constant
x = Component mole fraction
m
x = Component mass fraction
C = Molarity (kgmole/m3)
m = Molality (gmole/kg-H2O)
γ = Activity coefficient
f = Component fugacity (N/m2)
p = Partial pressure (N/m2)

27-18 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 Cm = Mass concentration (kg/m3)
υ = Stoichiometric coefficient (positive for products,
negative for reactants)
i = Component index
Π = Product operator
All properties refer to the phase selected in the Reacting Phase
field.
13 Repeat steps 7 through 12 for each equilibrium reaction.
Rate Controlled Reactive distillation kinetics can be represented with a built-in
Reactions Power Law expression, or a user kinetics subroutine. The
following procedure shows how to use either method.
To add kinetic type reactions to your Reaction ID:
1 Click New on the Reactions Stoichiometry sheet of your Reac-
Dist Reaction ID.
2 In the Select Reaction Type dialog box,
Kinetic/Equilibrium/Conversion is the default reaction type.
Accept the default Reaction No. displayed or enter a new
Reaction No. Click OK.
3 On the Edit Reaction dialog box, select Kinetic from the
Reaction Type list.
4 Enter components and stoichiometric coefficients to define the
reaction. Coefficients should be negative for reactants and
positive for products.
5 Specify Power Law exponents for each component. These
exponents represent the order of the reaction with respect to
each component. If you wish to specify a user kinetics
subroutine to compute the reaction rates, do not enter
exponents on this sheet.
6 Click Close when finished. You should see your new reaction
number, type, and equation displayed on the Stoichiometry
sheet.
7 Repeat steps 1 through 6 for each additional kinetic reaction.
8 Select the Kinetic sheet.
9 On the Kinetic sheet, select the appropriate option to use the
built-in Power Law expression, or a user kinetic subroutine to
represent the kinetics for the current Reaction ID.
10 Select a reaction from the list and specify in which phase the
reaction will take place using the Reacting Phase list. The
default reacting phase is liquid.
11 To use a user kinetics subroutine, you do not need to enter any
further information on this sheet. Select the Subroutine tab of

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-19
 the reaction form, and specify the subroutine name in the Name
field.
For RadFrac and RateFrac, you can also specify user-defined
kinetics on the Reactions User forms (see Using a User-
Kinetics Subroutine). The Reactions User forms is preferred
because you can use the same user-defined kinetics in reactor
or pressure relief calculations. For more information on using
and writing user kinetics models, see Aspen Plus User Models.
The rest of this procedure assumes you are using the built in
Power Law.
12 To use the built-in Power Law expression, enter the pre-
exponential factor (k), the temperature exponent (n), and the
activation energy (E) on the Kinetic sheet of the Reactions
form. The pre-exponential factor must be in the SI units
described later in this section. The temperature exponent refers
to temperature in Kelvin.
13 In the [Ci] Basis list, select the concentration basis. The
concentration basis determines which form of the power law
expression will be used, as discussed later in this section.
14 Repeat steps 10 through 13 for each kinetic reaction.
The power law expression depends on the concentration basis you
select in the [Ci] Basis list box:
[Ci] Basis Power Law Expression Power Law Expression
(To is not specified) (To is specified)

r = kT n e − E / RT ∏ (Ci ) r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ (Ci )

Molarity (default) αi αi

r = kT n e− E / RT ∏ (mi ) r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ (mi )

Molality αi αi
(electrolytes only)
r = kT n e− E / RT ∏ ( xi ) r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ ( xi )
Mole fraction αi αi

Mass fraction
( )
r = kT n e− E / RT ∏ xim
αi
( )
r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ xim
αi

r = kT n e − E / RT ∏ ( pi ) r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ ( pi )
Partial pressure αi αi
(vapor only)
Mass concentration
( )
r = kT n e − E / RT ∏ Cim
αi
( )
r = k (T / To ) n e( − E / R )[1 / T −1 / To ] ∏ Cim
αi

The units of the reaction rate and the pre-exponential factor depend
on the:
• Order of the reaction
• Holdup basis used by the distillation block
• Concentration basis selected in the [Ci] Basis list box

27-20 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 The units for the pre-exponential factor are as follows:
When [Ci] Units are: Units are:
Basis is (To is not specified) (To is specified)
Molarity kgmole - K -n kgmole
sec − (holdup unit) sec − (holdup unit)
∑ ∑
 kgmole  i
 kgmole  i

   
 m3   m3 
Molality kgmole - K -n kgmole
sec − (holdup unit) sec − (holdup unit)
∑ ∑
 gmole  i
 gmole  i

   
 kg H 2 O   kg H 2 O 
Mole fraction kgmole - K -n kgmole
or Mass
sec − (holdup unit) sec − (holdup unit)
fraction
Partial pressure kgmole - K -n kgmole
sec − (holdup unit) sec − (holdup unit)
∑ ∑
 N  i
 N  i

 2  2
m  m 
Mass kgmole - K -n kgmole
concentration
sec − (holdup unit) sec − (holdup unit)
∑ ∑
 kg  i
 kg  i

 3  3
m  m 

Where holdup When this is specified in the distillation block that

unit is uses the reactions
kgmole Mole holdup or residence time
kg Mass holdup
m3 Volume holdup
Fractional Another way to define reactions in a distillation column is to
Conversion calculate a conversion based on a built-in, temperature-dependent
Reactions (for correlation.
RadFrac only) To add conversion type reactions to your Reac-Dist Reaction ID:
1 Click New on the Reactions Stoichiometry sheet of your Reac-
Dist Reaction ID.
2 In the Select Reaction Type dialog box,
Kinetic/Equilibrium/Conversion is the default reaction type.
Accept the default Reaction No. displayed or enter a new
Reaction No. Click OK.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-21
 3 On the Edit Reaction dialog box, select Conversion from the
Reaction Type list.
4 Enter components and stoichiometric coefficients to define the
reaction. Coefficients should be negative for reactants and
positive for products. You should not specify exponents for
conversion reactions.
5 Click Close when finished. You should see your new reaction
number, type, and equation displayed on the Stoichiometry
sheet.
6 Repeat steps 1 through 5 for each additional conversion
reaction.
7 Select the Conversion sheet.
8 If you have multiple conversion reactions within your Reaction
ID, specify whether you want the conversion reactions to be
computed simultaneously, or in series. By default, conversion
reactions are assumed to occur simultaneously. If you want the
conversions to be calculated in series, check the Reactions
Occur in Series box. You must specify the same type for all
conversion reactions. Series reactions take place in the order
they are entered.
9 Select a reaction from the list.
10 In the Conversion Expression frame, select the component on
which you will base the conversion of the selected reaction, in
the Key Component list. Conversion is defined as the fractional
conversion of the key component.
11 Enter the coefficients (A, B, C and D) for the fractional
conversion correlation:
Conv = A + B/T + C*ln(T) + D*T
You can also enter the conversion on the RadFrac Reactions
Conversion sheet, to override the value computed from the
conversion correlation.
Salt Precipitation In addition to liquid and vapor phase reactions, you also can
Reactions (for specify salt precipitation reactions. These reactions are liquid/solid
RadFrac only) phase equilibrium reactions, where the solid phase consists of a
single salt.
To add salt precipitation type reactions to your Reac-Dist Reaction
ID:
1 Click New on the Reactions Stoichiometry sheet of your Reac-
Dist Reaction ID.
2 On the Select Reaction Type dialog box, select Salt
Precipitation in the Choose Reaction Type frame.

27-22 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 3 Select the component name of the salt in the Precipitating Salt
list, and click OK.
4 On the Edit Salt dialog box, enter components and
stoichiometric coefficients for the salt dissociation products.
5 Click Close when finished. You should see the new reaction
displayed on the Stoichiometry sheet referenced by the
component name of the salt.
6 Repeat steps 1 through 5 for each additional salt precipitation
reaction.
7 Select the Salt sheet.
8 On the Salt sheet, select a salt from the Salt list.
9 If the reaction does not actually reach equilibrium, you can
specify the Temperature Approach to Equilibrium. The
temperature approach you enter will be added to the stage
temperature to compute the equilibrium constant.
10 Choose whether you want to compute the equilibrium constant
(solubility product) from Gibbs energies or from a built in
polynomial expression by selecting the appropriate radio
button.
If you choose Compute Keq From Gibbs Energies, you do not
need to enter coefficients for the equilibrium constant.
Aspen Plus will compute Keq from the reference state Gibbs
free energies of the components.
11 If you choose Compute Keq From Built-In Expression, you
need to enter coefficients for the built-in equilibrium constant
expression, and choose a concentration basis for the
equilibrium constant in the Keq Basis field.

The expression and equilibrium constant definitions are the

same as for fluid phase equilibrium reactions. For more
information, see Equilibrium Reactions.
If no rate-controlled or fractional conversion fluid-phase reactions
are present, it is recommended that you specify salt precipitation
reactions as electrolyte chemistry reactions. The advantages are
that Electrolyte Chemistry:
• Can be generated automatically by the Electrolytes Wizard
• Accesses the Aspen Plus electrolytes reaction database for
equilibrium constant data
See Specifying Electrolytes Chemistry.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-23
 Using a User-Kinetics Subroutine
To use a user-supplied kinetics subroutine to calculate reaction
rates, you need to specify the Fortran subroutine name. Use the
Reactions User forms to specify user-defined kinetics for:
• Reactor models (RCSTR, RPlug, and RBatch)
• Distillation models (RadFrac and RateFrac)
• Pressure relief calculations in Pres-Relief
For RadFrac and RateFrac, you can also use the Reactions
Reac-Dist forms to specify user-defined kinetics (see Specifying
Reactions for Reactive Distillation). You can define equilibrium
reactions to be solved simultaneously with rate-controlled
reactions. Only RCSTR, RadFrac and RateFrac can handle
equilibrium reactions.
To specify a user Fortran subroutine for reaction rates:
1 From the Data menu, point to Reactions then Reactions.
2 On the Reactions Object Manager, click New to create a new
Reaction ID.
3 In the Create New ID dialog box, enter a reaction name in the
Enter ID field, or accept the default ID.
4 Select User in the Select Type list, and click OK.
5 On the Reactions Stoichiometry sheet click New.
6 On the Edit Reaction dialog box, the default reaction type is
Kinetic, and the reaction number is entered automatically.
Enter components and stoichiometric coefficients to define the
reaction. Coefficients should be negative for reactants and
positive for products.
7 Click Close when finished. You should see your new reaction
displayed on the Stoichiometry sheet.
8 Repeat steps 7 through 9 for each additional user kinetic
reaction.
9 Select the Kinetic sheet.
10 On the Kinetic sheet, select a reaction from the list and specify
in which phase the reaction will take place using the Reacting
Phase list. The default is the liquid phase.
11 If solids are present, click the Solids button and select the
appropriate options for calculation of concentration. See
Reactions With Solids for details.
12 Select the Subroutine sheet.

27-24 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 13 On the Subroutine sheet, enter the name of the user subroutine,
in the Name field. For more information on using and writing
user kinetics models, see Aspen Plus User Models.
For any equilibrium reactions within a User type Reaction ID,
specify them as you would for equilibrium reactions within a
Powerlaw Reaction ID. For details, see Specifying Power Law
Reactions for Reactors and Pressure Relief Systems.

Aspen Plus 11.1 User Guide Specifying Reactions and Chemistry • 27-25
27-26 • Specifying Reactions and Chemistry Aspen Plus 11.1 User Guide
 C H A P T E R 28

Property Sets

Overview
For help on property sets, see one of the following topics:
• About Property Sets
• How to specify a new or existing property set
• How to specify user properties for use in property sets

About Property Sets

A property set is a collection of thermodynamic, transport, and
other properties that you can use in:
• Stream reports
• Physical property tables and Analysis
• Unit operation model heating/cooling curve reports
• Distillation column stage property reports and performance
specifications
• Reactor profiles
• Design specifications and constraints
• Calculator and sensitivity blocks
• Optimization and Data-Fit blocks
Aspen Plus has several built-in property sets that are sufficient for
many applications. The list of built-in property sets is determined
by the Template you choose when creating a new run. For more
information on Templates, see About the Templates in chapter
[Link] can use a built-in property set and modify it to fit your
needs, or you can create your own property sets. To see the built-in
sets available or select one, use the drop-down list on any property

Aspen Plus 11.1 User Guide Property Sets • 28-1

 set list box. The list prompts describe the contents of each built-in
property set.

Defining a Property Set

To define a property set:
1 From the Data menu, click Properties.
2 Double-click on the Prop-Sets folder in the left pane of the
Data Browser.
3 To create a new property set, click New. In the Create New ID
dialog box, enter a new property set ID or accept the default
ID, and click OK.
4 Once the new property set has been created, to modify it (or
any existing property set), select the name from the Object
Manager and click Edit.
5 On the Properties sheet of the Prop-Sets form, you can select
properties from the drop-down list in the Physical Properties
field. Choose one or more properties to be included in your
property set. When you make a selection, a prompt appears for
each property.

Tip: Use the Search button to find the properties you want
included in the property set. For information on using the search
dialog box see Using the Search Dialog Box.

6 Select one or more units for the property, using the Units
fields.
If you select multiple units the property is reported in each of
the units selected.
7 On the Prop-Sets Qualifiers sheet, specify the following
qualifiers for the properties to be calculated:
• Phase (total mixture, total liquid, vapor, 1st or 2nd liquid,
and solid)
• Components
• 2nd liquid key components (key component to identify the
2nd liquid phase)
• Temperature
• Pressure
• Percent distilled(points on petroleum distillation curves)
• Water basis (wet or dry)

28-2 • Property Sets Aspen Plus 11.1 User Guide

 Some qualifiers, such as temperature and pressure, are
optional. For more information, see the Physical Property Data
Reference, Chapter 4.
When you select multiple units and qualifiers, Aspen Plus
computes the properties for each units specification and each valid
combination of qualifiers.
Using the Search If you want to search for a property by its common name, click the
Dialog Box Search button on the Prop-Sets Properties sheet. A dialog box
appears where you can type the name or a fragment of the name of
the property you want. To add a property to your property set,
select the property you desire and click Add. Once you have added
all the properties you want, click OK to return to the Prop-Sets
form.
Example of Using Search Searching for the word "viscosity" shows a number of properties.
to Find Properties Kinematic viscosity has been selected and added to the property
set.

Specifying Phase The default for phase is Total. If a property cannot accept Total
Qualifiers phase as a qualifier, you must enter an appropriate alternative
(Liquid, Vapor, 1st liquid, 2nd liquid, or Solid).
The phases you select should be consistent with the type of
calculation desired. For example, if you request 1st and 2nd liquid
phase properties for a heating/cooling curve for a Heater block, the
block should perform either rigorous three-phase or free-water
calculations.

Aspen Plus 11.1 User Guide Property Sets • 28-3

 By default, Aspen Plus calculates properties at the stream
Specifying
conditions. Alternatively, you can specify the temperature and
Temperature and
pressure for property calculations in the Temperature and Pressure
Pressure Qualifiers
fields of the Prop-Sets Qualifiers sheet. These specifications do not
affect the composition of vapor and liquid phases, which are
determined at the stream temperature and pressure. Aspen Plus
determines the units for the Temperature and Pressure
specifications from the Units-Set you specify.
Example of Property Set Define a property set consisting of the pure component liquid and
for Reporting Enthalpy vapor enthalpies (H) of components C1, C2, and C3, as well as the
mixture enthalpies (HMX) for the vapor and liquid phases. HMX
is calculated on both a mole and mass basis.

28-4 • Property Sets Aspen Plus 11.1 User Guide

 Example of Property Set Define a property set consisting of the activity coefficients for
for Activity Coefficients components C1 and C2 in the liquid phase. The activity
Over a Temperature coefficients are evaluated at 100, 200, and 300°F.
Range

The units for the temperatures entered will be the temperature units
of the ENG Units-Set, °F.

User-Defined Properties
You can define your own properties for use in property sets. You
must supply a Fortran subroutine to calculate each property. See
Aspen Plus User Models for more information about user
subroutines.

Aspen Plus 11.1 User Guide Property Sets • 28-5

 To define an additional property for use in property sets:
1 From the Data menu, click Properties.
2 Open the Advanced folder by double-clicking on it in the left
pane of the Data Browser.
3 Select UserProperties.
4 On the UserProperties Object Manager, click New.
5 Enter a user property ID or accept the default ID, and click OK
6 On the Specifications sheet, select whether your user property
will be a standard property or an Assay curve property.
7 For standard properties, enter the name of the subroutine to be
used for calculating the property, in the User Subroutine Name
field.
8 Use the remaining fields on the Specifications sheet to enter
information about the property.
9 On the Units sheet, specify whether you want any units
conversion to be performed automatically by Aspen Plus, or
within your user subroutine.

28-6 • Property Sets Aspen Plus 11.1 User Guide

 C H A P T E R 29

Analyzing Properties

Overview
After you complete property specifications, you should analyze the
properties predicted by your model to ensure correct results. You
can do this using the Aspen Plus Property Analysis feature.
Property Analysis generates tables of physical property values,
which can be plotted to visualize and better understand the
behavior of properties as predicted by your property specifications.
You can access Property Analysis via the following methods:
• Many commonly used tables and plots can be generated
quickly and easily through an interactive method accessed from
the Tools menu.
• Alternatively, generating Property Analyses from the
Properties Analysis folder in the Data Browser Menu provides
the most flexibility.
You can also use Aspen Split™ (a separately-licensed product of
the Aspen Engineering Suite) to perform azeotrope searches and to
construct ternary maps.
This section discusses using the Property Analysis features.
Topics include:
• About Property Analysis
• Generating Property Analyses Interactively
• Generating Property Analyses Using Forms
• Property Method Specifications for Property Analysis
• Examining Analysis Results
• Using Aspen Split

Aspen Plus 11.1 User Guide Analyzing Properties • 29-1

 About Property Analysis
The Property Analysis feature generates tables of properties from
variations in:
• Temperature
• Pressure
• Vapor fraction
• Heat duty
• Composition
The tables include property values that are defined using Property
Sets, and can consist of thermodynamic, transport, and other
derived properties.
You can use Property Analysis:
• On a standalone basis
• In a Flowsheet run
• In a Data Regression run
To use Property Analysis on a standalone basis, specify Property
Analysis in the Run Type list on the Setup Specifications Global
sheet. Or if you are creating a new run, specify Property Analysis
in the Run Type list of the New dialog box.

Generating Property Analyses

Interactively
This topic describes how to generate many common analyses
interactively, using the Analysis commands from the Tools menu.
This method automates many of the steps required to generate a
Property Analysis, and defines built-in plots that provide quick and
easy access to commonly used information.
If the information you require can be generated from the
interactive Analysis commands, this is always quicker and easier
than creating the Analysis using forms.
If you require property information that is not available from the
interactive Analysis commands, you should create the Analysis
manually using forms.
You can use the interactive Analysis commands at any time after
you complete the properties specifications.

29-2 • Analyzing Properties Aspen Plus 11.1 User Guide

 The interactive Analysis commands can generate:
• Pure component properties
• Properties for binary systems
• Residue maps for ternary systems
• Stream properties. To generate stream properties, you must
define at least one material stream.
Pure Component Use the interactive Analysis Pure commands to calculate and
Properties display pure component properties as a function of temperature to:
• Check pure component data and parameter values
• Compare properties for components that belong to the same
family. Family plots can reveal incorrect trends.
• Determine whether the property is extrapolated correctly when
temperatures are outside correlation limits
To generate pure component properties as a function of
temperature, using the interactive Analysis Pure commands:
1 Ensure your Setup, Components, and Properties specifications
are complete.
2 From the Tools menu, click Analysis, then Property, then Pure.
On the Pure Component Properties Analysis dialog box, most
of the required information is set to defaults, including:
Item Information
Property Method The global property method is used, as specified on
the Properties Specifications Global sheet. You can
select any Property Method that appears on the
Properties Specifications form.
Temperature The default is a temperature range from 0 to 25°C.
You can enter a new range by modifying the lower
and upper temperatures, or you can change from a
temperature range to a temperature list, and specify
a list of discreet temperature values.
Number of points to The default is 41 points. You can change the number
be tabulated of points, or enter a temperature increment
Pressure The default is 1 atm. You must change the default
for vapor properties, for liquid properties near the
critical point., and properties generated from EOS
property methods
3 From the Property list box, select the property to be tabulated.
The Property list box displays the properties of the type shown
in the Property Type list box.
To focus your search for a property, you can change the
property type to Thermodynamic or Transport. To see a list of
all available properties, change the property type to All.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-3

 This table shows the available thermodynamic properties:
Availability Free energy
Constant pressure heat capacity Enthalpy
Heat capacity ratio Fugacity coefficient
Constant volume heat capacity Fugacity coefficient pressure
correction
Free energy departure Vapor pressure †
Free energy departure pressure Density
correction
Enthalpy departure Entropy
Enthalpy departure pressure Volume
correction
Enthalpy of vaporization † Sonic velocity
Entropy departure
† Ideal and activity coefficient property methods only

This table shows the available transport properties:

Thermal conductivity Surface tension
Viscosity
Optionally you can specify the units for the selected property in
the Units list. If you do not specify the units, they will be
determined by the output results Units-set specified on the
Setup Specifications Global sheet.
4 Select the phase(s) for which you want the property to be
reported, by clicking one or more of the Phase check boxes:
Vapor, Liquid or Solid. Liquid is the default. Not all phases are
valid for all properties. For a list of valid phases for each
property, see the Physical Property Data Reference, Chapter 4.
5 Choose components by selecting one or more from the
Available Components list, and clicking the right arrow button
to move them to the Selected Components list.
6 When finished, click Go to generate the results.

– or –

Click Save As Form to save the interactive Property Analysis

you have created to forms within the Properties Analysis
section of the Data Browser menu. Saving an interactive
Property Analysis as forms, allows you to preserve the input
and results of this Property Analysis to view or modify at a
later time. For more information on using forms to create
Property Analyses, see Creating A Property Analysis Using
Forms.

29-4 • Analyzing Properties Aspen Plus 11.1 User Guide

 Aspen Plus calculates the property at the temperature values
you specify. Results appear in a form window and a plot. The
plot displays results for all components you select.
Example of Examining Calculate and display the vapor pressures of CCL4, CH2CL2, and
Component Vapor CHCL3, between 50 and 200°F, using the IDEAL Property
Pressures Method. To do this:
1 From the Tools menu, point to Analysis, then Property, then
Pure.
2 The Pure Component Properties Analysis dialog box appears.

3 When you have finished choosing your components, click Go

to generate the results.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-5

 Tabular results form:

Plotted Results:

Properties for Binary You can generate common phase diagrams for binary systems to:
Systems • Check the validity of data and parameter values
• Assess the degree of nonideality
• Check for existence of azeotropes
• Check for existence of two liquid phases
• Check quality of extrapolation of the model

29-6 • Analyzing Properties Aspen Plus 11.1 User Guide

 To generate properties for binary systems use the Analysis Binary
commands. To do this:
1 Ensure your Setup, Components, and Properties specifications
are complete.
2 From the Tools menu, click Analysis, then Property, then
Binary.
3 On the Binary Analysis dialog box, choose the type of Analysis
in the Analysis Type list box:
Use analysis type To tabulate
Txy Temperature (T) versus liquid (x) and vapor (y) compositions at given
pressures
Pxy Pressure (P) versus liquid (x) and vapor (y) compositions at given
temperatures
Gibbs energy of mixing Gibbs energy of mixing versus liquid compositions at given temperatures
and pressures. Used to detect the formation of two liquid phases.
For all three types of Binary Analysis, you can accept the
default settings or specify the following information:
Item Information
Components Two are required. Use the Component 1 and Component 2 lists to choose
the pair of components you wish to study. Only conventional
components that are not solids or ions are allowed. Defaults are the first
two conventional components listed on the Components Specifications
Selection sheet.
Composition basis - Mole The default is mole fraction.
fraction or mass fraction
Composition component This designates which component’s composition is varied to generate the
results. The default is the component selected as Component 1.
Composition - range or list To determine at what compositions Aspen Plus will perform its
calculations, you can specify a composition range or a composition list.
The default is the full composition range between pure component 1 and
pure component 2. You can either modify the default composition range,
or change to a composition list, and specify a list of discreet
compositions.
Number of points to generate The default is 41 points. You can modify the number of points, or
specify an increment of composition. Note that this only applies when
using a composition range.
Property Method, Henry Defaults are obtained from the Properties Specifications Global sheet.
Components, Chemistry ID, and For electrolyte systems, you should use the apparent components
simulation approach approach.
The remaining specifications for an interactive Binary Analysis
depend on the Analysis type.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-7

 Completing the To complete the specifications for a Txy type Binary Analysis, you
Specifications for Txy can either modify the following specifications or accept the
Binary Analysis defaults.
For You can specify The default is
Valid Phases Rigorous Vapor-Liquid, Vapor-Liquid- Vapor-Liquid
Liquid, or Vapor-Liquid-FreeWater
calculations
Pressure(s) You may specify a single pressure, or A single
multiple pressures by entering a list of pressure of 1
values, or by giving a range of values. If atm
you choose to specify a range of values,
you must enter number of points or an
increment size.
When finished, you can simply click the Go button to generate the
Txy diagram, or you can first click the Save As Form button to
save the interactive Property Analysis you have created, to forms
within the Properties Analysis section of the Data Browser menu.
Saving an interactive Property Analysis as forms allows you to
preserve the input and results of this Property Analysis to view or
modify at a later time. For more information on using forms to
create Property Analyses, see Generating Property Analyses Using
Forms, later this chapter.
Aspen Plus displays the results in tabular form in a form window
and as a plot. If you specify more than one pressure, Txy diagrams
for all the pressures appear on a single plot. In addition to the Txy
diagram, you can display other plots from the Txy analysis results
using the Plot Wizard. The following plots are available:
Type of Plot Description
TXY Temperature versus liquid and vapor composition
TX Temperature versus liquid composition
YX Vapor versus liquid composition
Gamma Liquid activity coefficients of both components
versus liquid composition
KVL K-values of both components versus liquid
composition
Displaying Txy Plots To display these plots:
1 On the Binary Analysis Results window containing the tabular
data, click the Plot Wizard button.
2 On the Plot Wizard Step 1 window, click Next.
3 On the Plot Wizard Step 2 window, click the plot type you
want.

29-8 • Analyzing Properties Aspen Plus 11.1 User Guide

 4 To accept default plot settings, click Finish to generate the plot.
Otherwise, click Next to enter additional settings and follow
the remaining steps.
5 On the Plot Wizard Step 3 window, in the Component to Plot
list box choose a component for which compositions will be
displayed. If applicable, specify units for the plot variables.
6 Click Finish to accept defaults for the remaining plot settings
and generate the plot.
– or –
Click Next to enter additional settings.
7 On the Plot Wizard Step 4 window, you can modify the
defaults for plot title, axis titles, display options, grid or line
type.
8 Click Finish to generate the plot.
Example of Generating Generate Txy curves at 1 atm and 2 atm for a mixture of HNO3
Txy Curves and water, using the ELECNRTL property method and GLOBAL
solution chemistry.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-9

 Tabular results form:

Plotted results:

29-10 • Analyzing Properties Aspen Plus 11.1 User Guide

 Completing the To complete the specifications for a Pxy type Binary Analysis, you
Specifications for Pxy can either modify the following specifications or accept the
Binary Analysis defaults:
For You can specify The default is
Valid Phases Rigorous Vapor-Liquid, Vapor-Liquid- Vapor-Liquid
Liquid, or Vapor-Liquid-FreeWater
calculations
Temperature(s) More than one temperature by entering a A single
list of values, or by giving a range of temperature of
values. 25°C
If you choose to specify a range of
values, you must enter number of points
or an increment size.
When finished, click Go to generate the Pxy diagram, or click Save
As Form to save the interactive Property Analysis to forms within
the Data Browser.
Saving an interactive Property Analysis as forms enables you to
preserve the input and results of this Property Analysis to view or
modify at a later time.
For more information on using forms to create Property Analyses,
see Generating Property Analyses Using Forms.
Aspen Plus displays the results in tabular form in a form window
and as a plot. If you specify more than one temperature, Pxy
diagrams for all the temperatures appear on a single plot.
In addition to the Pxy diagram, you can display other plots from
the Pxy analysis results using the Plot Wizard. The following plots
are available:
Type of Plot Description
PXY Pressure versus liquid and vapor composition
PX Pressure versus liquid composition
YX Vapor versus liquid composition
Gamma Liquid activity coefficients of both components versus
liquid composition
KVL K-values of both components versus liquid composition
Displaying Pxy Plots To display Pxy plots:
1 On the Binary Analysis Results window containing the tabular
data, click the Plot Wizard button. The results window is
behind the plot window.
2 On the Plot Wizard Step 1 window, click Next.
3 On the Plot Wizard Step 2 window, click the plot type you
want.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-11

 4 To accept default plot settings, click Finish to generate the plot.
Otherwise, click Next to enter additional settings.
5 On the Plot Wizard window, in the Component to Plot list box
choose a component for which compositions will be displayed.
If applicable, specify units for the resulting plot.
6 Click Finish to accept defaults for the remaining plot settings
and generate the plot.
– or –
Click Next to enter additional settings.
7 On the Plot Wizard Step 4 window, you can modify the
defaults for plot title, axis titles, display options, grid type or
marker size. You can also specify whether you want the plot to
be automatically updated when new results are available.
8 Click Finish to generate the plot.
Completing the To complete the specifications for a Gibbs Energy of Mixing type
Specifications for Gibbs Binary Analysis, you can either modify the following
Energy of Mixing specifications or accept the defaults.
Item Information
Units of Gibbs If you do not specify the units, they will be determined
energy by the Units-set specified on the Setup Specifications
Global sheet.
Pressure The default is 1 atm
Temperature(s) The default is 25°C. You can specify more than one
temperature, by entering a list of temperatures, or you
can specify a range of temperatures and a number of
points or an increment size.
When finished, click Go to generate the Gibbs energy of mixing
versus x diagram, or click Save As Form to save your interactive
Property Analysis to forms within the Data Browser.
Saving an interactive Property Analysis as forms enables you to
preserve the input and results of this Property Analysis to view or
modify at a later time.
For more information on using forms to create Property Analyses,
see Generating Property Analyses Using Forms.
Aspen Plus displays the results in tabular form in a form window
and as a plot. If you specify more than one temperature, Gibbs
energy of mixing diagrams for all the temperatures appear on a
single plot.

29-12 • Analyzing Properties Aspen Plus 11.1 User Guide

 Example of Generating Generate a Gibbs Energy of Mixing diagram for methanol-
Gibbs Energy of Mixing cyclohexane at 25°C, using the UNIF-LL property method.

Tabular results form:

Aspen Plus 11.1 User Guide Analyzing Properties • 29-13

 Plotted results:

Residue Curves Residue Curves (or maps) plot the composition trajectories of a
ternary mixture undergoing distillation at total reflux. You can use
them to visualize the presence of azeotropes and the constraints
azeotropes impose on the degree of separation.
Use Residue Curves to predict feasible splits, select entrainers, and
analyze potential column operability problems.
Use Residue Curves with nonideal chemical systems, and property
methods that represent such systems. Examples are activity-
coefficient-based property methods, such as NRTL, Wilson,
UNIQUAC, and UNIFAC. Do not use electrolyte property
methods.
Generating Residue To generate Residue Curves using the interactive Analysis Residue
Curves commands:
1 Make sure your Setup, Components, and Properties
specifications are complete.
2 From the Tools menu, point to Analysis, then Property, then
Residue.

29-14 • Analyzing Properties Aspen Plus 11.1 User Guide

 3 On the Residue Curves dialog box, Aspen Plus fills in defaults
for all the required information. You can accept the defaults, or
make changes to any of the following information:
Item Information
Components Three are required. Use the Component 1, Component 2,
and Component 3 lists to choose the three components
you wish to study. Only conventional components that
are not solids or ions are allowed. Defaults are the first
three conventional components listed on the
Components Specifications Selection sheet.
Pressure The default is 1 atm
Valid Phases You can specify rigorous two phase (Vapor-Liquid) or
three phase (Vapor-Liquid-Liquid) calculations. The
default is Vapor-Liquid.
Number of You can select 3-5 Curves, 10-15 Curves, or 15-20
curves Curves.
Property Defaults are obtained from the Properties Specifications
options Global sheet. For electrolyte systems, Aspen Plus uses
the apparent components approach.
4 When finished, click Go to generate the residue curves, or first
click the Save As Form button to save your interactive Property
Analysis to forms within the Data Browser.
Saving an interactive Property Analysis as forms enables you
to preserve the input and results of this Property Analysis to
view or modify at a later time.
Aspen Plus displays the results in tabular form, in a form
window and as a triangular plot.
Example of Generating a Generate a residue map for the ternary system ethanol-water-ethyl
Residue Map acetate, at 1 atm, using the NRTL property method.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-15

 Tabular results form:

Plotted results:

Stream Properties You can calculate and display stream properties interactively as
you create your simulation model. You do not have to complete the
flowsheet definition or input specifications first. For example, to
check your Property Method, you can analyze a feed stream as
soon as you define it. As you develop a flowsheet model
interactively, you can check the phase behavior of intermediate
streams to help you determine feasible specifications.

29-16 • Analyzing Properties Aspen Plus 11.1 User Guide

 The following table shows the types of stream analyses you can
perform:
Type Description
Point Stream properties for the total stream and each of the
phases present. Properties include temperature, pressure,
phase fractions, flow rates, and many thermodynamic
and transport properties.
Component Component flow rates for the total stream and each of
Flow the phases present. Mole, mass, and standard liquid
volume fractions are available.
Composition Component fractions for the total stream and each of the
phases present. Mole, mass, and standard liquid volume
fractions are available. Partial pressure is also available.
Petroleum Point properties, plus API gravity, specific gravity,
Watson K factor, and kinematic viscosity
Dist-Curve † Petroleum distillation curves (TBP, D86, D160, and
vacuum)
Bubble/Dew †† Bubble point temperature and dew point temperature
versus pressure curves
PV Curve †† Vapor fraction versus pressure curves at stream
temperature
TV Curve †† Vapor fraction versus temperature curves at stream
pressure
PT-Envelope Pressure-temperature envelope curves (For more
†† information, see Pressure-Temperature Envelopes.)
† Plots can be generated from this analysis.
†† These analyses automatically display plots of the curves.
Calculating and To calculate and display stream properties interactively:
Displaying Stream
1 Ensure that Setup, Components, and Physical Properties
Properties
specifications are complete.
2 Ensure the Stream Specifications sheet for the stream is
complete or the stream has results that were calculated in the
current session.
3 Click the stream on the flowsheet diagram to select it.
4 From the Tools menu, point to Analysis, then Stream, then the
type of stream analysis you want to perform. The Stream
Analysis types will be inactive if the conditions in steps 1,2 and
3 are not satisfied.
5 Make any selections and specifications in the dialog box for
selecting options, and click OK. Each stream analysis type has
defaults for required input, except temperature range for TV
curves.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-17

 Stream analysis results appear in a form window. For some
analysis types, a plot of the results also appears. Print or view these
results and plots as you would with simulation results.
With the exception of the PT-Envelope type stream analysis, when
you close the resulting forms and plots, the results are not saved.
On the Ptenvelope dialog box, you are given the option to Save as
Form, which will save the stream Property Analysis you have
created interactively, to forms within the Properties Analysis
section of the Data Browser menu. In all other types of stream
analysis, you must redo the calculations if you want to look at
them again, once you close the results forms.
Saving an interactive Property Analysis as forms allows you to
preserve the input and results of this Property Analysis to view or
modify at a later time. For more information on using forms to
create Property Analyses, see Generating Property Analyses Using
Forms.
Example of Generating a The screens below show an example for generating a Bubble/Dew
Bubble/Dew Point Curve type stream analysis for a stream containing an equimolar mixture
From Stream Analysis of ethane and n-heptane. The PENG-ROB property method is
used.

29-18 • Analyzing Properties Aspen Plus 11.1 User Guide

 Tabular results form:

Plotted results:

Aspen Plus 11.1 User Guide Analyzing Properties • 29-19

 Generating Property Analyses Using
Forms
In addition to the many tables and plots available through
interactive Property Analysis, generating Property Analyses using
forms provides the most flexibility because it:
• Generates tables of physical property values using
specifications you enter on the Properties Analysis forms
• Allows you to report and study any property that you define in
Property Sets
In general, you should only use manual Property Analysis when
you need functionality that is not available within the simpler
interactive Analysis commands.
The following Property Analyses types are available using forms:
Property Analysis For
Type
Pure Evaluation of pure component properties as a
function of temperature and pressure
Binary Generating common phase diagrams for binary
systems, such as Txy, Pxy, or Gibbs energy of
mixing curves
Generic Property evaluations for multi-phase mixtures from
flash calculations, or single-phase mixtures without
flash calculations
PT-Envelope Pressure-temperature envelopes and properties along
a constant vapor fraction line
Residue Generating residue curve maps which plot the
composition trajectories of a ternary mixture
undergoing distillation at total reflux
You cannot create Pure and Binary analyses using forms. You
must use the interactive Analysis commands for these analysis
types because the appropriate property sets are defined
automatically. You can modify these analysis types using forms,
but you should not modify the prop-sets created by the interactive
Analysis because the Plot Wizard may not produce the correct
plots.
Unlike the interactive method for using Property Analysis, when
generating Analyses from forms, you must run the simulation to
generate results. You can run the Property Analyses:
• On a standalone basis (Property Analysis run type)
• In a Flowsheet run
• In a Data Regression run

29-20 • Analyzing Properties Aspen Plus 11.1 User Guide

 To use Property Analysis on a standalone basis, specify Property
Analysis in the Run Type list on the Setup Specifications Global
sheet (or the New dialog box when creating a new run).
Creating A Property To manually create a Property Analysis using forms:
Analysis Using 1 Make sure your Setup, Components, and Properties
Forms specifications are complete.
2 From the Data menu, click Properties.
3 From the left pane of the Data Browser menu, click the
Analysis folder.
4 On the Properties Analysis Object Manager, click New.
5 On the Create New ID dialog box, select the type of Analysis
you want to create in the Select Type list.
When creating Property Analyses on forms, there are three types:
Property Analysis For
Type
Generic Property evaluations for multi-phase mixtures from
flash calculations, or single-phase mixtures without
flash calculations
PT-Envelope Pressure-temperature envelopes and properties along
a constant vapor fraction line
Residue Generating residue curve maps which plot the
composition trajectories of a ternary mixture
undergoing distillation at total reflux
6 Enter an ID for the new Analysis, or accept the default ID.
7 Click OK.
The remaining specifications for using forms to generate a
Property Analysis depend on the Analysis type. The following
sections provide instructions for specifying each type of
Analysis.
Pure You must use the interactive Analysis commands to define your
analysis, save the specifications as forms using the Save As Form
button, then edit the form to add additional specifications. Use
forms to modify pure component Property Analyses only when
you need flexibility not afforded by the simpler interactive
Analysis commands (for example results at multiple pressures).
Binary You must use the interactive Analysis commands to define your
analysis, save the specifications as forms using the Save As Form
button, then edit the form to add additional specifications.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-21

 Generic Use the Property Analysis Generic form to generate tables of
properties of either:
• Multi-phase mixtures (for example, vapor and liquid) resulting
from flash calculations
• Single-phase mixtures without flash calculations
The generic type of Property Analysis is the most flexible.
To generate a generic Property Analysis using forms:
1 On the System sheet of the Properties Analysis Generic Input
form, click one of the options in the Generate frame to specify
whether you want to generate properties at points along a flash
curve for a multi-phase mixture resulting from flash
calculations, or at points for single-phase mixtures without
flash calculations.

Click either Points Along a Flash Curve or Point(s) Without

Flash.
2 In the System section, choose either to Specify Component
Flow or Reference Flowsheet Stream. If you choose to specify
component flow, enter the flowrates of your system. If you
choose to reference a flowsheet stream, enter the Stream ID.
3 If you choose to specify component flow when generating
points along a flash curve, specify the valid phases for flash
calculations in the Valid Phases list. Choices are Vapor-Liquid,
Vapor-Liquid-Liquid, or Vapor-Liquid-FreeWater. The default
is Vapor-Liquid.
4 If you choose to reference a flowsheet stream when generating
points along a flash curve, you can optionally specify the type
of flash for the flowsheet stream, in the Flash Type list (see
Notes in step 6.)
5 Click the Variable sheet.
6 On the Variable sheet, specify the Adjusted Variables and their
values to be used in calculations.
Notes:
If a stream is referenced on the System sheet, you must either:
• Vary two of temperature, pressure, vapor fraction, and duty
– or –
• Specify Flash Type on the System sheet
If Flash Type is specified, any varied state variable must be
consistent with that specification. Unspecified state variables
default to the stream values. The number of valid phases is
determined by the type of calculation performed to generate the
referenced stream.

29-22 • Analyzing Properties Aspen Plus 11.1 User Guide

 If a stream is not referenced, you must either vary or specify on
this form two of temperature, pressure, and vapor fraction.
You can define values for a varied variable by specifying
either:
• A list of values
– or –
• Upper and lower limits for the variable and either the
number of points or the increment size.
7 Click the Tabulate sheet.

On the Tabulate sheet, specify the Property Set(s) that contain

properties you want to tabulate. To add a Property Set to the
Selected Prop-Sets list, select it from the Available Prop-Sets
list, and click the right arrow button. To select all available
Property Sets, click the double right arrow button. Use the left
arrow buttons to remove items from the Selected Prop-Sets list.
Optionally you can click the Table Specifications button to
enter a heading, change the precision of the results, or specify
the width of the tables generated in the report file.

Further optional specifications include:

• Using the Properties sheet to change default property
methods used to generate the generic Property Analysis.
• Using the Diagnostics sheet to set how much information
you receive about warnings and errors from calculations.
Results for the generic Analysis can be viewed on the Properties
Analysis Generic Results form. For more information on Analysis
results see Examining Property Analysis Results this chapter.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-23

 Example of Using Forms Generate a table of properties at four pressures, using rigorous
to Create a Generic isothermal three-phase flash calculations. Tabulate vapor fraction,
Property Analysis to liquid-liquid ratio (beta), component mass fractions, and
Study Rigorous 3-Phase component flows for each of the three phases separately, and for
Flash Behavior the combined liquid phases.

29-24 • Analyzing Properties Aspen Plus 11.1 User Guide

 The following two screens shows the property set, LIST-4, that
defines the properties to be tabulated.

Aspen Plus 11.1 User Guide Analyzing Properties • 29-25

 Tabular results:

29-26 • Analyzing Properties Aspen Plus 11.1 User Guide

 To generate a plot of these results, select the variable on the
Results sheet, then use Plot from the main menu bar to specify the
x-axis or y-axis variable. Select Display Plot to view the plot.
Pressure- Use the PT-Envelope Property Analysis type to generate
Temperature pressure-temperature envelopes. These tables are parametric,
Envelopes consisting of one curve for each vapor fraction, through the critical
point, and its complementary vapor fraction. For example, the
complementary branch for a vapor fraction of 0.75 is 0.25.
The interactive PT-Envelope Analysis command for streams also
provides a complete facility for generating PT-Envelopes. Use the
Property Analysis forms only if you want to tabulate properties in
addition to temperature, pressure, and vapor fraction, or if you do
not want to reference a stream.
You can generate PT-Envelopes from any property method except
electrolyte property methods (for example, ELECNRTL).
However, PT-Envelopes generated from activity coefficient-based
and other non-equation-of-state property methods will not pass
through the critical point. Instead there will be separate curves for
each vapor fraction and its complementary branch.
To generate a PT-Envelope using forms:
1 On the System sheet of the Properties Analysis PTEnvelope
Input form, choose either to Specify Component Flow or
Reference Flowsheet Stream. If you choose to specify
component flow, enter the flow rates of your system. If you
choose to reference a flowsheet stream, enter the Stream ID.
2 Click the Envelope sheet. By default this sheet is already
complete.
3 On the Envelope sheet, specify the vapor fractions for which
tables will be generated. By default, Aspen Plus generates the
dew and bubble point curves (vapor fraction = 1 and 0,
respectively.) You can specify additional vapor fractions.
Aspen Plus generates one curve for each vapor fraction,
through the critical point, and its complementary vapor
fraction. For example, if you specify a vapor fraction of 0.25,
Aspen Plus will generate one curve for the 0.25 and 0.75 vapor
fraction branches.

You can also specify these options:

• Temperature or pressure of the first point
• Maximum number of points
• Termination point
Further optional specifications include:

Aspen Plus 11.1 User Guide Analyzing Properties • 29-27

 • Using the Tabulate sheet to specify properties to calculate in
addition to the default temperature and pressure tabulations.
Specify any additional properties by adding Property Set IDs to
the Selected Prop-Sets list (see Chapter 28). You can also click
the Table Specifications button to enter a heading, change the
precision of the results, or specify the width of the tables
generated in the Report file.
• Using the Properties sheet to change default property methods
used to generate the PT envelope.
• Using the Diagnostics sheet to set how much information you
receive about warnings and errors from calculations.
Results for the PT-Envelope can be viewed on the Properties
Analysis PT-Envelope Results form. For more information on
Analysis results see Examining Property Analysis Results this
chapter.
Example of Using Forms Generate a PT-Envelope for an equimolar mixture of ethane and
to Generate a Pressure- n-heptane using the PENG-ROB property method. Generate the
Temperature Envelope phase envelope for vapor fractions of 1, 0.5, and 0. Tabulate the
mole fractions of the vapor and liquid phases, in addition to the
default temperature and pressure.

29-28 • Analyzing Properties Aspen Plus 11.1 User Guide

 This is the property set, LIST-3, that defines the additional
properties (mole fraction) to be tabulated:

Aspen Plus 11.1 User Guide Analyzing Properties • 29-29

29-30 • Analyzing Properties Aspen Plus 11.1 User Guide
 Tabular Results:

To generate a plot of these results, choose Plot Wizard from the

Plot menu of the main menu bar, while viewing the above results
form. This is the resulting PT-Envelope plot, generated by
accepting all the default settings of the Plot Wizard:

Aspen Plus 11.1 User Guide Analyzing Properties • 29-31

 Residue Curves Residue Curves (or maps) plot the composition trajectories of a
ternary mixture undergoing distillation at total reflux. You can use
them to visualize the presence of azeotropes and the constraints
azeotropes impose on the degree of separation. Use Residue
Curves to predict feasible splits, select entrainers, and analyze
potential column operability problems (Doherty, 1978 and
Wahnschaft, 1992).
Doherty, M.F. and Perins, J.D., Chem. Eng. Sci., (1978), Vol. 33, p. 281
Wahnschaft, O., "The Product Composition Regions of Single-feed Azeotropic
Distillation Columns," Ind. Eng. Chem. Res., (1992), Vol. 31, pp. 2345-2362.
Use Residue Curves with nonideal chemical systems, and Property
Methods that represent such systems. Examples are activity-
coefficient-based Property Methods, such as NRTL, Wilson,
UNIQUAC, and UNIFAC.
To generate a Residue Curve using forms:
• On the System sheet of the Properties Analysis Residue Input
form, specify:
− Components for the ternary mixture you want to analyze,
using the Component 1, Component 2, and Component 3
list boxes.
− System pressure using the Pressure field. The default is 1
atm.
− Whether you want Aspen Plus to perform rigorous two-
phase or three-phase calculations. Choose either Vapor-
Liquid or Vapor-Liquid-Liquid in the Valid Phases list. The
default is Vapor-Liquid.
− Number of curves to be generated. Choose either 3-5
Curves, 10-15 Curves, or 15-20 Curves. Note that more
curves require more calculation time. The default is 10-15
curves.
Optional specifications include:
• Using the Properties sheet to change default property methods
used to generate the Residue Curve.
• Using the Diagnostics sheet to set how much information you
receive about warnings and errors from calculations.
Results for the Residue Curve can be viewed on the Properties
Analysis Residue Results form. For more information on Analysis
results see Examining Property Analysis Results this chapter.

29-32 • Analyzing Properties Aspen Plus 11.1 User Guide

 Property Methods Specifications for
Property Analysis
Property Analyses use default property methods. Aspen Plus
determines these defaults based on whether a flowsheet stream is
referenced on the Property Analysis System form.
Flowsheet stream Default property methods are
referenced?
No Specified on the Properties Specifications
Global sheet.
Yes The same as those used to calculate stream
properties in the flowsheet simulation
You can override the default property specifications on the
Properties Analysis Properties sheet.

Examining Property Analysis Results

To examine Property Analysis results:
1 From the Data menu, select Properties.
2 From the left pane of the Data Browser menu, double-click the
Analysis folder.
3 Double-click the folder for the Property Analysis you wish to
examine.
4 Click the Results folder.
You can plot the results using the Plot Wizard from the Plot menu
of the main menu bar.

Using Aspen Split

If Aspen Split™ (a separately-licensed product in the Aspen
Engineering Suite) is installed, you may call it directly from Aspen
Plus to perform azeotrope searches and to construct ternary maps.
Aspen Split is AspenTech’s state-of-the-art software for the
synthesis and conceptual design of distillation processes. A new
analysis component in Aspen Split enables the user to:
• Locate all the azeotropes (homogeneous and heterogeneous)
present in any multicomponent mixture
• Automatically compute distillation boundaries and residue
curve maps for ternary mixtures
• Compute multiple liquid phase envelopes (liquid-liquid and
vapor-liquid-liquid) for ternary mixtures

Aspen Plus 11.1 User Guide Analyzing Properties • 29-33

 The Aspen Split component has been fully integrated with Aspen
Plus so that these powerful analyses can be performed directly in
the flowsheeting environment. The results can then be used to:
• Access separation feasibility in azeotropic mixtures
• Synthesize feasible separation sequences for achieving a
desired separation
• Develop strategies for retrofit of existing separation sequences
• Identify potential operating problems for distillation columns
and strategies for correcting them
To perform these Aspen Split analyses, in the Aspen Plus click the
Tools menu, then point to Aspen Split, then select either Azeotrope
Search or Ternary Maps.
If you select Azeotrope Search, the Azeotrope Analysis dialog box
appears. The Input sheet is open, and the components and property
specifications from the simulation are automatically loaded into
Aspen Split. Select the checkboxes beside the components you
want Aspen Split to consider in its azeotrope search. You may also
change the property specifications. Then click the Azeotropes
output sheet in the pane on the left. Aspen Split will display a list
of the azeotropes found.
If you select Ternary Maps, the Ternary Maps dialog box appears.
As in the azeotrope search, the Input sheet is initially filled in with
data from the simulation. Select the components you want to map,
and select the options at the bottom of the sheet for the
clalculations you want to perform, and click the Ternary Plot sheet
in the pane at the left to see the resulting plot.
See the Aspen Split documentation for more information about the
capabilities of these features.

29-34 • Analyzing Properties Aspen Plus 11.1 User Guide

 C H A P T E R 30

Estimating Property Parameters

Overview
This chapter is about estimating property parameters. In the
equation-oriented environment there is a more general parameter
estimation feature, the parameter estimation run mode. For more
information on this mode, see EO Run Modes.
Aspen Plus stores physical property parameters in databanks for a
large number of components. If a required parameter is not in any
Aspen Plus databank, it can be:
• Entered directly
• Estimated using Property Estimation
• Regressed from experimental data using Data Regression

About Property Estimation

You can use Property Estimation in the following two ways:
• On a standalone basis
• In a Flowsheet, Property Analysis, PROPERTIES PLUS, or
Data Regression run
This topic includes the following information about estimating
parameters using Property Estimation:
• Property parameters Aspen Plus can estimate
• Defining molecular structure
• Estimating parameters
• Using experimental data to improve estimated parameters
• Comparing estimated parameters for components
• Examining parameter estimation results

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-1

 Property Estimation Property Estimation estimates all missing parameters listed in the
on a Standalone tables in What Property Parameters Can Aspen Plus [Link]
Basis create a standalone estimation run, do one of the following:
• Select the Property Estimation Run Type when creating a new
run.
• From the Data menu select Setup, then select the Specifications
form. On the Global sheet, select Property Estimation in the
Run Type list box.
Property Estimation Property Estimation estimates all missing parameters listed in these
in a Flowsheet, tables that are required in the run.
Property Analysis, When using Property Estimation in Flowsheet, Property Analysis,
PROPERTIES PLUS, Data Regression, or Properties Plus run types, it is important
or Data Regression understand which parameters will be used if a parameter is
Run available from multiple sources.
If you select Estimate All Missing Parameters on the Estimation
Input form, Aspen Plus will estimate and use all missing
parameters that are required in the run. Parameters that are
estimated, but are not missing, will not be used in the run.
If you selectively specify the estimation of an individual parameter
that is required by the simulation, this estimated parameter will be
used regardless of whether another value is available in a databank,
or on a Properties Parameters input form.

What Property Parameters Can

Aspen Plus Estimate?
Property Estimation in Aspen Plus can estimate many of the
property parameters required by physical property models,
including:
• Pure component thermodynamic and transport property model
parameters
• Binary parameters for the Wilson, NRTL, and UNIQUAC
activity coefficient models

30-2 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 The following tables list the property parameters Aspen Plus can
estimate.
Property Names and Estimation Methods for Pure Component Constants
Description Parameter Method Information Required †
Molecular weight MW FORMULA Structure
Normal boiling point TB JOBACK Structure
OGATA-TSUCHIDA Structure
GANI Structure
MANI TC, PC, Vapor pressure data
Critical temperature TC JOBACK Structure, TB
LYDERSEN Structure, TB
FEDORS Structure
AMBROSE Structure, TB
SIMPLE MW, TB
GANI Structure
MANI TC, PC, Vapor pressure data
Critical pressure PC JOBACK Structure
LYDERSEN Structure, MW
AMBROSE Structure, MW
GANI Structure
Critical volume VC JOBACK Structure
LYDERSEN Structure
AMBROSE Structure
RIEDEL TB, TC, PC
FEDORS Structure
GANI Structure
Critical compressibility factor ZC DEFINITION TC, PC, VC
Standard heat of formation DHFORM BENSON Structure
JOBACK Structure
BENSONR8 Structure
GANI Structure
Standard Gibbs free energy of DGFORM JOBACK Structure
formation BENSON Structure
GANI Structure
Acentric factor OMEGA DEFINITION TC, PC, PL
LEE-KESLER TB, TC, PC
Solubility parameter DELTA DEFINITION TB, TC, PC, DHVL, VL
UNIQUAC R UNIQUAC R BONDI Structure
UNIQUAC Q UNIQUAC Q BONDI Structure
Parachor PARC PARACHOR Structure
Solid enthalpy of formation at DHSFRM MOSTAFA Structure
25 C
Solid Gibbs energy of DGSFRM MOSTAFA Structure
formation at 25 C

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-3

Description Parameter Method Information Required †
Aqueous infinite dilution DGAQHG AQU-DATA DGAQFM
Gibbs energy of formation for THERMO DGAQFM, S025C
the Helgeson model AQU-EST1 DGAQFM
AQU-EST2 S025C
Aqueous infinite dilution DHAQHG AQU-DATA DGAQFM
enthalpy of formation for the THERMO DGAQFM, S025C
Helgeson model AQU-EST1 DGAQFM
AQU-EST2 S025C
Entropy at 25 C for the S25HG AQU-DATA S025C
Helgeson model THERMO DGAQFM, DHAQFM
AQU-EST1 DGAQFM
AQU-EST2 DHAQFM
Helgeson OMEGA heat OMEGHG HELGESON S25HG, CHARGE
capacity coefficient
Property Names and Estimation Methods for Temperature-Dependent
Properties
Description Parameter Method Information Required †
Ideal gas heat capacity CPIG DATA Ideal gas heat capacity data
BENSON Structure
JOBACK Structure
BENSONR8 Structure
Vapor pressure PL DATA Vapor pressure data
RIEDEL TB, TC, PC
LI-MA Structure, TB
MANI TC, PC, Vapor pressure data
Enthalpy of vaporization DHVL DATA Heat of vaporization data
DEFINITION TC, PC, PL
VETERE MW, TB
GANI Structure
DUCROS Structure
LI-MA Structure, TB
Liquid molar volume VL DATA Liquid molar volume data
GUNN-YAMADA TC, PC, OMEGA
LEBAS Structure
Liquid viscosity MUL DATA Liquid viscosity data
ORRICK-ERBAR Structure, MW, VL, TC, PC
LETSOU-STIEL MW, TC, PC, OMEGA
Vapor viscosity MUV DATA Vapor viscosity data
REICHENBERG Structure, MW, TC, PC
Liquid thermal conductivity KL DATA Liquid thermal conductivity data
SATO-RIEDEL MW, TB, TC
Vapor thermal conductivity KV DATA Vapor thermal conductivity data
Surface tension SIGMA DATA Surface tension data
BROCK-BIRD TB, TC, PC
MCLEOD-SUGDEN TB, TC, PC, VL, PARC

30-4 • Estimating Property Parameters Aspen Plus 11.1 User Guide

Description Parameter Method Information Required †
Solid heat capacity CPS DATA Solid heat capacity data
MOSTAFA Structure
Helgeson C heat capacity CHGPAR HG-AQU OMEGHG, CPAQ0
coefficient HG-CRIS OMEGHG, S25HG, CHARGE,
IONTYP
HG-EST OMEGHG, S25HG
Liquid heat capacity CPL DATA Liquid heat capacity data
RUZICKA Structure
In Flowsheet, Property Analysis, Properties PLUS, or Data
Regression runs, Aspen Plus estimates missing binary parameters
only if you request them on the Properties Estimation Input Binary
sheet. If infinite dilution activity coefficients are estimated or
supplied on the Properties Data Mixture form at only one
temperature, then the parameters in brackets [ ] are set to zero.
Property Names and Estimation Methods for Binary Parameters
Description Parameter Method Information Required †
Wilson parameters WILSON/2 DATA Data
[WILSON/1] UNIFAC Structure
UNIF-LL Structure
UNIF- LBY Structure
UNIF- DMD Structure
UNIF-R4 Structure
NRTL parameters NRTL/2 DATA Data
[NRTL/1] UNIFAC Structure
UNIF-LL Structure
UNIF- LBY Structure
UNIF- DMD Structure
UNIF-R4 Structure
UNIQUAC parameters UNIQ/2 DATA Data
[UNIQ/1] UNIFAC Structure, GMUQR, GMUQQ
UNIF-LL Structure, GMUQR, GMUQQ
UNIF- LBY Structure, GMUQR, GMUQQ
UNIF- DMD Structure, GMUQR, GMUQQ
UNIF-R4 Structure, GMUQR, GMUQQ
Property Names and Estimation Methods for UNIFAC Group Parameters
Description Parameter Method Information Required †
UNIFAC R UNIFACR BONDI Structure
UNIFAC Q UNIFACQ BONDI Structure
Lyngby UNIFAC R UNIFLR BONDI Structure
Lyngby UNIFAC Q UNIFLQ BONDI Structure
Dortmund UNIFAC R UNIFDR BONDI Structure
Dortmund UNIFAC Q UNIFDQ BONDI Structure

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-5

 † Structure indicates that molecular structure must be defined
using the Properties Molecular Structure forms. Data indicates that
correlation parameters are determined directly from experimental
data you enter on Properties Data forms. When another parameter
is required, such as TB, it can come from a databank or from
another estimation method. Or you can enter it on a Properties
Parameters form.

Required Information for Parameter

Estimation
The minimum information required for parameter estimation is:
• Normal boiling point temperature (TB)
• Molecular weight (MW)
• Molecular structure, preferably entered using the General
method
Property Estimation uses normal boiling point and molecular
weight to estimate many parameters. You can greatly reduce the
propagation of errors in estimating other parameters by using the
experimental value of TB. If you do not supply TB and MW but
you enter the general molecular structure, Property Estimation can
estimate TB and MW.
To obtain the best possible estimates for all parameters, enter all
the experimental data that is available.

Defining Molecular Structure Using

the General Method
When you use the general method to describe the atoms and bonds
in a compound, Aspen Plus automatically generates the required
functional groups for the estimation methods used in a particular
run.
To use the general method:
1 Sketch the structure of the molecule on paper.
2 Assign a number to each atom, omitting hydrogen. The
numbers must be consecutive, starting from 1.
3 From the Data menu, click Properties.
4 In the left pane of the Data Browser, click Molecular Structure.
5 From the Molecular Structure Object Manager, select a
component ID for which you want to specify the molecular
structure, then click Edit.

30-6 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 On the General sheet, define the molecule by its connectivity,
one pair of atoms at a time.
In this field Enter
Number Unique number identifying an atom in the molecule.
This should be the atom number that you assigned in
your preliminary drawing.
Type Atom type (for example, carbon or oxygen)
Bond type Type of bond that connects a pair of atoms (for
example, single or double)
Atom numbers and atom types appear on the correspondence
list at the bottom of the form.
Atoms Numbers and When you enter an existing atom number, Aspen Plus displays the
Types atom type (except for the first pair of atoms). You can omit
specifying values in the Number and Type fields for the first atom
of a pair. Aspen Plus will automatically use the atom number and
type of the second atom for the previously entered pair. Enter a
number for the second atom of the current pair.
You can use the following bond types to simplify the task of
entering the structure of common ring compounds and saturated
hydrocarbons:
Special Bond Type Description
Benzene ring Benzene ring
Sat. 5-member ring Saturated 5-member ring
Sat. 6-member ring Saturated 6-member ring
Sat. 7-member ring Saturated 7-member ring
Sat. hydrocarbon chain Saturated hydrocarbon chain
When you use these special bond types, the atom numbers
assigned to the members of the carbon ring or carbon chain must
be consecutive.
Example of Defining Define the molecular structure of isobutyl alcohol (C4H10O) using
Molecular Structure the general method.
Using the General
Method CH 3

CH CH 2 OH

CH 3

Assign a number to each atom, omitting hydrogen.

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-7

 Defining Molecular Structure Using
Method-Specific Functional Groups
Use the Properties Molecular Structure Functional Group sheet to
enter method-specific functional groups. For each
group-contribution method, specify:
• Functional groups
• Number of times each group occurs in the compound
Functional groups are defined and numbered differently for each
method. For functional group definitions, browse through the
Group Number list.
You can enter any number of pairs for group numbers and number
of occurrences, with one exception. For the UNIFAC, UNIF-LL,
UNIF-DMD, and UNIF-LBY methods the limit is 12.
To specify method specific functional groups:
1 Sketch the structure of the molecule on paper.
2 From the Data menu, click Properties.
3 In the left pane of the Data Browser, click Molecular Structure.
4 From the Molecular Structure Object Manager, select a
component ID for which you want to specify the molecular
structure, then click Edit.
5 Click the Functional Group sheet.
6 On the Functional Group sheet, select the estimation method
from the Method list box.
7 In the Group Number list, select a functional group for the
method, that represents a functional group contained in your

30-8 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 molecule. The prompt area displays a description of the
functional group.
8 Count the number of times this group occurs in the molecule
and enter that number in the Number of Occurrences field. The
default is one.
9 Repeat steps 7 and 8 until all functional groups in your
molecule are represented with the appropriate number of
occurrences.
Example of Defining The structure of isobutyl alcohol is defined using the Lydersen
Molecular Structure method. The Lydersen functional groups are -CH3, >CH2, >CH-,
Using Method-Specific and -OH. The corresponding group numbers are 100, 101, 102, and
Functional Groups 121, respectively.
CH 3

CH CH 2 OH

CH 3

Identifying Parameters to be
Estimated
In a standalone Property Estimation run, Aspen Plus estimates all
missing parameters listed in the tables in What Property
Parameters Can Aspen Plus Estimate, using default [Link]
can use the Properties Estimation Input form to request parameter
estimation and to:

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-9

 • Specify the properties and components for which parameters
are to be estimated
• Select estimation methods
• Request estimation for parameters that are not missing
In a Flowsheet, Data Regression, or Property Analysis run, you
must request estimation of missing parameters. Aspen Plus
estimates all missing required parameters using default methods,
unless you specify otherwise on the Input form..
To request parameter estimation:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser Menu, select Estimation
then Input.
3 On the Setup sheet, specify one of the following Estimation
options.
Option Estimates
Do not estimate any Nothing. This is the default.
parameters
Estimate all missing All missing required parameters and any
parameters parameters you request on the Pure Component,
T-Dependent, Binary, and UNIFAC Group
sheets
Estimate only the Only the types of parameters you specify on the
selected parameters Setup sheet. Specific estimations must be
specified on the sheets identified by your
parameter types selection on this sheet.
The Estimate All Missing Parameters option is strongly
recommended unless you:
• Know exactly what parameters are missing and want to
estimate only those parameters
• Want to evaluate the estimation methods only for certain
parameters
4 If you selected Estimate Only the Selected Parameters, specify
the type(s) of parameters to estimate by checking the
appropriate checkboxes. Go to the appropriate sheet to specify
the desired parameters and methods.
You must supply all information required to estimate the
parameters.
5 If you selected Estimate All Missing Parameters, you can
override default estimation methods. Go to the appropriate
sheet to specify parameters and methods for the different types
of parameters.
Use these sheets to select parameters and methods:

30-10 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 Form What is Specified
Pure Component Parameter names and estimation methods for
pure component constants
T-Dependent Parameter names and estimation methods for
temperature-dependent parameters
Binary Parameter names and estimation methods for
binary parameters
UNIFAC Group Parameter names for UNIFAC group
parameters
When using Property Estimation in Flowsheet, Property Analysis,
Data Regression, or Properties Plus run types, if you manually
request the estimation of specific parameters using the sheets in the
table above, these estimated values are used preferentially over any
values available in a databank or on a Properties Parameters form.
You can specify more than one estimation method for a parameter.
This allows you to compare the estimates predicted by different
methods.
When you specify multiple estimation methods for a parameter
required in a Flowsheet, Property Analysis, Data Regression, or
Properties Plus run type, the simulation uses the value estimated by
the first estimation method selected.
The tables list the estimation methods Aspen Plus provides for
each parameter. For details on the accuracy and applicability of
each estimation method, see chapter 8 of Physical Property
Methods and Models.
Estimating Pure Use the Estimation Input Pure Component sheet to request
Component estimation of pure component constants, such as critical
Parameters temperature (TC).
To request estimation of a pure component constant:
1 From the Data menu, click Properties
2 In the left pane of the Data Browser Menu, select Estimation,
then Input.
3 On the Setup sheet, choose estimation options. For more
information, see Identifying Parameters to be Estimated.
4 Click the Pure Component sheet.
5 On the Pure Component sheet, select a parameter you want to
estimate using the Parameter list box.
6 In the Component list box, select the component for which you
want to estimate the selected parameter. If you want to estimate
the chosen parameter for multiple components, you may

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-11

 continue to select additional components individually, or you
may select All to estimate the parameter for all components.
7 In the Method list box for each selected component, choose the
estimation method you want to use. You can specify more than
one method.
8 To request estimation of additional pure component
parameters, select a different parameter in the Parameter list
box, and repeat steps 6 and 7.
If you specify more than one method, only the value estimated by
the first method is used. Results for all the methods specified are
displayed on the Estimation Results form. See Examining
Parameter Estimation Results .
The only reason for specifying more than one method is to
evaluate the accuracy of methods used in estimating a given
parameter. See Comparing Estimated Parameters to Experimental
Data .
Example for Estimating This estimation problem is set up to evaluate the accuracy of three
Critical Temperature methods (Joback, Lydersen, and Ambrose) for estimating TC for
isobutyl alcohol:

Estimating Use the Estimation Input T-Dependent sheet to request estimation

Temperature- of correlation parameters for temperature-dependent properties
Dependent Properties (such as parameters for the extended-Antoine vapor pressure).
Property Estimation uses estimation methods based on group
contributions and corresponding-states theory. In addition,
Property Estimation accepts experimental property versus
temperature data and uses them to determine the correlation
parameters by regression.

30-12 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 To request estimates of temperature-dependent properties:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, click the Estimation
subfolder.
3 On the Setup sheet, choose estimation options. For more
information, see Identifying Parameters to be Estimated.
4 Click the T-Dependent sheet.
5 On the T-Dependent sheet, specify the property you want to
estimate in the Property list box.
6 In the Component list box, select the component for which you
want to estimate the selected property. If you want to estimate
the chosen property for multiple components, you may
continue to select additional components individually, or you
may select All to estimate the property for all components.
7 In the Method list box for each selected component, choose the
estimation method you want to use. You can specify more than
one method for each property. To do this, list the component
again, and choose a different method.
8 To request estimation of additional temperature dependent
properties, select a different property in the Property list box,
and repeat steps 6 and 7.
If you specify more than one method for a component, only the
estimated value of the first method is used. Results for all the
methods specified are displayed on the Results form. See
Examining Parameter Estimation Results .
The only reason for specifying more than one method is to
evaluate the accuracy of methods used in estimating a given
property. See Comparing Estimated Parameters to
Experimental Data .
9 If you want to restrict estimation to a temperature range, enter
the lower temperature limit in the Lower Temp. field, and enter
the upper temperature limit in the Upper Temp. field.
10 If you have experimental property versus temperature data,
enter them on the Properties Data Pure-Comp form.
When you select Then Aspen Plus
DATA in the Method field Uses the experimental data you enter on
the Properties Data Pure-Comp form to
determine the correlation parameters by
regression
DATA in the Method field, and Uses only the experimental data within
Upper Temp. and Lower Temp. the temperature ranges you specify
A method other than DATA Uses the specified method to estimate
the property over a range of

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-13

 temperatures (Upper Temp. and Lower
Temp.). Aspen Plus determines the
correlation parameters that best fit the
estimated data
A method other than DATA and Combines the experimental data you
you check the Use Data check enter on the Properties Data Pure-Comp
box form with the estimated values using the
method you specified to determine the
best correlation parameters
If you combine the experimental data and estimated values (by
selecting the Use Data check box), you can assign a weight to
the experimental data in the Weight field. The weight is
relative to 1.0 for estimated values.
Estimating Binary Use the Estimation Binary Input sheet to request estimates of
Parameters binary parameters, such as WILSON/1 and WILSON/2 for the
Wilson model. Aspen Plus estimates binary parameters using
infinite-dilution activity coefficient data.
To request estimates of binary parameters:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser Menu, click Estimation
then Input..
3 On the Setup sheet, choose estimation options. For more
information, see Identifying Parameters to be Estimated.
4 Click the Binary sheet.
5 On the Binary sheet, click New then specify the parameter you
want to estimate in the Parameter list box.
6 In the Method list box, choose the estimation method you want
to use. You can specify more than one method for each
parameter.
When Method is Then Aspen Plus uses
DATA The infinite dilution activity coefficient data you
enter on the Properties Data Mixture form. For
more information see Using Infinite Dilution
Activity Coefficient Data.
A method other than The method to estimate infinite dilution activity
DATA coefficients
7 In the Component i and Component j list boxes, specify two
components for which you want to estimate interaction
parameters. If you want to estimate the chosen parameter for
multiple component pairs, you may continue to select
additional component pairs individually, or you may select All
to estimate the parameters for all component pairs.

30-14 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 8 In the Temp field, you can specify the temperature(s) of the
infinite-dilution activity coefficient data. The default
temperature is 25 C. If you select DATA in the Method field,
the default is all the data you entered on the Properties Data
Mixture form.
When you Aspen Plus estimates
Enter no temperature value, or Only the second element of the
enter only one temperature parameter (for example, WILSON/2 for
value Wilson)
Enter more than one Elements one and two of the parameter
temperature value (for example, WILSON/1, WILSON/2)
9 To request estimation of additional binary parameters, select a
different parameter in the Parameter list box, and repeat steps
6, 7 and 8.

Example for Estimating Estimate Wilson binary parameters from infinite-dilution activity
Binary Parameters coefficients generated by UNIFAC. Estimate the infinite-dilution
activity coefficients at 30 and 40°C for component pair C1-C2; and
at 30°C for component pair C2-C3. For C1-C2, the WILSON/1
and WILSON/2 binary parameters are estimated because two
temperatures are requested. For C2-C3, only the WILSON/2
parameter is estimated because only one temperature is requested.

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-15

 Use the Properties Estimation UNIFAC Group sheet to request
Estimating UNIFAC
parameter estimation for UNIFAC functional groups. Group
Group Parameters
parameters for all UNIFAC groups are built into Aspen Plus. You
do not need to estimate them.
If you define a new UNIFAC group on the Components UNIFAC-
Groups form:
Use this sheet To
Properties Molecular Structure Define the structure of the UNIFAC
Functional Group group using the Bondi method
Properties Estimation Input Estimate group parameters
UNIFAC Group
To request parameter estimation for UNIFAC functional groups:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser Menu, select Estimation
then Input.
3 On the Setup sheet, choose estimation options. For more
information, see Identifying Parameters to be Estimated.
4 Click the UNIFAC Group sheet.
5 In the Parameter list box, specify the UNIFAC group parameter
you want to estimate .
6 In the Group ID fields, enter the UNIFAC Group IDs for which
you want to estimate parameters.
UNIFAC group IDs must have been defined on the
Components UNIFAC-Groups form.
Using Experimental You can use any experimental property data available to improve
Data to Improve the quality of your parameter estimation. Whenever possible,
Estimated supply experimental data to minimize the propagation of errors due
Parameters to the uncertainty of estimated values.
Temperature-dependent property data (such as vapor pressure
versus temperature data) can be used directly to determine
correlation parameters by regression. Infinite-dilution activity
coefficient data are used to estimate binary parameters.
Use this form To enter this type of property data
Properties Parameters Scalar property constants, such as normal
Pure Component Scalar boiling point (TB) or critical temperature (TC)
Properties Parameters Temperature-dependent correlation parameters,
Pure Component T- such as PLXANT for the extended Antoine
Dependent vapor pressure model
Properties Data PURE- Temperature-dependent property data, such as
COMP vapor pressure versus temperature points )
Properties Data Infinite dilution activity coefficient data versus
MIXTURE temperature for binary systems

30-16 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 Using Temperature- Use the Properties Data PURE-COMP form to enter temperature-
Dependent Property Data dependent property data.
Enter the data as pairs of temperature and property values.
To enter temperature-dependent property data: listed in the table :
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, click the Data subfolder.
3 To create a new Data ID, on the Data Object Manager, click
New.
4 In the Create New ID dialog box, enter an ID for the data, or
accept the default ID. Choose PURE-COMP from the Select
Type list box, and click OK.
5 To modify an existing Data ID, select the ID from the Data
Object Manager, and click Edit.
6 On the Setup sheet, select the category For Estimation, then
specify the property for which you have data, in the Property
list box.
7 Select the component for which you have data, in the
Component list box.
8 If your data was measured at a constant temperature or
pressure, you can enter this value in the Constant Temperature
or Pressure frame.
9 Click the Data sheet.
10 On the Data sheet, enter the experimental data in the
appropriate columns. The first column in the data table, Usage,
will be filled in automatically when you begin entering your
data points.
The first row of the data table is filled in with default values of
standard deviation. These standard deviations are not
considered in Property Estimation however. They are only used
in Data Regression.
To combine the experimental pure component data to estimate
temperature-dependent property parameters:
1 Select the Properties Estimation Input T-Dependent sheet.
2 Select the property you wish to estimate in the Property list
box.
3 Specify the component then select DATA in the Method list
box.
You can combine experimental temperature-dependent property
data with estimated data. For example, you can combine
experimental vapor pressure data with values estimated by the
Riedel method. The combined data are then used to determine the

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-17

 best set of PLXANT parameters. You can use this feature to
extrapolate limited experimental data. For more information, see
Estimating Temperature-Dependent Properties.
The experimental data you enter can be used in three ways:
• By Data Regression, to obtain correlation parameters by
regression.
• By Property Estimation, to obtain correlation parameters by
regression.
• By Property Estimation, together with other estimated values,
to obtain correlation parameters.
Using Property Estimation is similar to using Data Regression to
regress pure component temperature-dependent property data or
infinite-dilution activity coefficient data. However, with Data
Regression you can:
• Mix VLE and pure component data
• Regress any parameter, such as an equation-of-state parameter
• Control which parameters in a correlation to regress
• Provide standard deviations (weightings) for individual
variables and data points
Using Infinite Dilution Use the Properties Data MIXTURE form to enter infinite-dilution
Activity Coefficient Data activity coefficient (gamma infinity) data for binary systems.
To enter infinite-dilution activity coefficient data:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser Menu, select the Data
subfolder.
3 To create a new Data ID, on the Data Object Manager, click
New. On the Create New ID dialog box, enter an ID for the
data, or accept the default ID. Choose MIXTURE from the
Select Type list box, and click OK.
4 To modify an existing Data ID, select the ID from the Data
Object Manager, and click Edit.
5 On the Setup sheet, select the category For Estimation in the
category list box, then GAMINF in the Data Type list box.
6 Select the components for which you have data from the
Available Components list, and use the right arrow button to
move the two components of interest to the Selected
Components list.
7 Click the Data sheet.
8 On the Data sheet, enter the experimental data in the
appropriate fields as described in the table below. The first

30-18 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 column in the data table, Usage, will be filled in automatically
when you begin entering your data points.
The first row of the data table is filled in with default values of
standard deviation. These standard deviations are not
considered in Property Estimation however. They are only used
in Data Regression.
Field Enter
TEMP1 Temperature corresponding to the infinite-dilution activity
coefficient of component 1 (GAMINF1)
GAMINF1 Infinite-dilution activity coefficient of component 1
TEMP2 Temperature corresponding to the infinite-dilution activity
coefficient of component 2 (GAMINF2)
GAMINF2 Infinite-dilution activity coefficient of component 2
If one infinite-dilution activity coefficient value is missing,
leave both the TEMP and GAMINF fields blank.
To use the experimental infinite-dilution activity coefficient data to
estimate binary parameters:
1 Select the Properties Estimation Input Binary sheet.
2 Select the parameter you want to estimate in the Parameter list
box.
3 Select DATA in the Methods list box.
4 In the Component i and Component j fields, specify the two
components for which you have entered infinite-dilution
activity coefficient data.
Comparing Estimated Use the Properties Estimation Compare form to compare estimated
Parameters to parameters to experimental data. You can also compare the
Experimental Data estimated values of components to results for other components.
This feature can help you select the best method for estimating
parameters for a nondatabank component when only limited
experimental data is available.
To evaluate the accuracy of estimation methods used for a
parameter and to select the best methods for estimating parameters
for a nondatabank component:
1 Identify databank components that are similar to the
nondatabank component in terms of molecular structure or
functional groups.
2 Request parameter estimation for these databank components
using all methods available on the Estimation Input form.
3 Use the Estimation Compare form to compare the estimated
parameters to the experimental data.

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-19

 From the comparison you can determine the best method for each
parameter. The best methods for the databank components should
also be best for the nondatabank component.
To compare estimated parameters to experimental data:
1 From the Data menu, click Properties
2 In the left pane of the Data Browser Menu, double-click the
Estimation subfolder.
3 Select the Compare form.
4 On the Compare Setup sheet, use the Components and
UNIFAC Group IDs list boxes to enter components or groups
to be compared with experimental data.
Examining Parameter To examine parameter estimation results:
Estimation Results 1 From the Data menu, click Properties.
2 In the left pane of the Data Browser Menu, double-click the
Estimation subfolder.
3 Select the Results or the Compare Results form.
The Estimation Results form displays the estimated properties and
parameters that you requested on the Estimation Input form.
Estimated parameters are also placed on appropriate Properties
Parameters forms. The Compare Results form displays
comparisons between estimated and experimental data , as
requested on the Estimation Compare form. Comparisons between
components are not displayed on the Compare Results form, they
are contained in the reports.
To view comparisons between components, from the View menu,
click Reports.

30-20 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 Example of Pure This example shows the estimated values of TC for isobutyl
Component Estimation alcohol using three methods (Joback, Lydersen, and Ambrose).
Results

Using Estimated Parameters

If you estimate parameters, you can choose whether the results are
automatically written to Properties Parameters input forms or not.
If you estimate parameters in a standalone Property Estimation run,
and then want to use them in a Flowsheet, Property Analysis, Data
Regression, or Properties Plus run:
• On the Setup Specifications Global sheet, change the Run
Type.
When using Property Estimation in Flowsheet, Property Analysis,
Data Regression, or Properties Plus runs, if you select Estimate All
Missing Parameters, Aspen Plus estimates and uses all missing
parameters that are required in the run. Aspen Plus does not
estimate any parameters that are not missing.
If you specifically request the estimation of an individual
parameter, this estimated parameter will be used preferentially
over any databank value, or any value entered on Properties
Parameters forms.
Saving Estimation If you estimate parameters, by default the results are automatically
Results Automatically written to Properties Parameters input forms.
This means that when you are satisfied with your estimation
results, you can turn off Property Estimation because the estimated
parameters have been preserved on the Parameters forms for use in
subsequent simulation runs.

Aspen Plus 11.1 User Guide Estimating Property Parameters • 30-21

 To turn off Property Estimation:
• On the Setup sheet of the Properties Estimation Input form,
check Do Not Estimate Any Parameters.
Not Saving If you do not want the estimation results to be written to the
Estimation Results Parameters forms automatically:
Automatically 1 From the Tools menu, click Options.
2 Click the Component Data tab.
3 Clear the Copy Regression and Estimation Results onto
Parameters Forms checkbox.

30-22 • Estimating Property Parameters Aspen Plus 11.1 User Guide

 C H A P T E R 31

Regressing Property Data

Overview
You can use experimental property data to determine the physical
property model parameters you need for an Aspen Plus simulation.
The Aspen Plus Data Regression System fits parameters of
physical property models to measured data for pure component or
multicomponent systems. You can enter almost any kind of
experimental property data, such as:
• Vapor-liquid equilibrium
• Liquid-liquid equilibrium
• Density
• Heat capacity
• Activity coefficients
You can use Data Regression for all property models in
Aspen Plus, including electrolyte and user models.
This section includes the following information about Data
Regression:
• Setting up a regression
• Entering pure component, phase equilibrium, and mixture data
• Plotting experimental data
• Formulating a regression case
• Evaluating the accuracy of known model parameters
• Examining and plotting regression results
• Comparing results from several cases
• Using the Dortmund Databank (DDB) interface
• Data regression example

Aspen Plus 11.1 User Guide Regressing Property Data • 31-1

 Setting Up a Regression
To set up a Data Regression:
1 Start Aspen Plus and create a new run from a Template.
2 On the New dialog box, select Data Regression in the Run
Type list box.
3 Define components on the Components Specifications
Selection sheet.
4 Select a property method on the Properties Specifications
Global sheet.
5 Enter or estimate any supplemental property parameters on the
Properties Parameters and Properties Estimation forms.
6 Enter experimental data on the Properties Data forms.
7 Specify the regression case on the Properties Regression form.
See Formulating a Regression Case.
Use Next to guide you through these steps.

Selecting a Property Method

You must select a property method that uses the property model
for which you want to determine parameters.
For example, to fit UNIQUAC binary parameters, choose one of
the following property methods:
• UNIQUAC
• UNIQ-HOC
• UNIQ-NTH
• UNIQ-RK
Choose the same property method you will use for simulation runs
using the fitted parameters. For example, if you want to use
UNIQUAC with the Hayden-O’Connell vapor phase association
property method (UNIQ-HOC) in a simulation run, you must also
use the UNIQ-HOC property method in your Data Regression run.
There is one important exception. Do not use property methods
ending in -2 in Data Regression, even when fitting LLE data. For
example, to determine parameters to use with the UNIQ-2 property
method, use the UNIQUAC property method in the Data
Regression run. In the simulation run, use the UNIQ-2 property
method. The binary parameters you determined in the Data
Regression run will be available on the Properties Parameters
Binary Interaction form.

31-2 • Regressing Property Data Aspen Plus 11.1 User Guide

 Entering Supplemental Parameters
If any component being regressed is not in the Aspen Plus
databank, do one of the following:
• Enter the required parameters on Properties Parameters forms
• Estimate the parameters using the Properties Estimation forms
For example, suppose you are regressing binary VLE data using
the WILSON property method and a component is not in the
databank. You must enter or estimate the following parameters:
MW, TC, PC, ZC, DHVLWT, PLXANT, and CPIG.
You can also enter values of the parameters to be determined on a
Properties Parameters form. Data Regression will use these values
as initial guesses.

Fitting Pure Component Data

To fit pure component temperature-dependent property data, such
as vapor pressure data:
1 Use the Properties Data PURE-COMP form to enter the
experimental data as a function of temperature.
2 Use the Properties Regression Input form to specify the
property method, experimental data, and parameters to be
regressed.

Entering Pure Component Data

Use the Properties Data PURE-COMP form to enter experimental
data for pure component properties as a function of temperature.
For example, you can enter vapor pressure versus temperature
data.
To enter pure component data:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, click the Data folder.
3 To create a new Data ID, click New on the Data Object
Manager.
4 In the Create New ID dialog box, enter an ID or accept the
default. Choose PURE-COMP in the Select Type list box, and
click OK.
5 To edit an existing ID, select the Data ID from the Object
Manger, and click Edit.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-3

 6 On the Setup sheet, select the type of property data in the
Property list box. Prompts describe each property. You can
limit the types of property data under the Property list box, by
selecting a property category in the Category list box. The
default category is All.
7 In the Component list box, specify the component for which
you have experimental data.
8 In the Temperature and Pressure fields, if active, specify a
constant temperature or pressure. A value entered in these
fields applies to all data points, and simplifies the entering of
isothermal or isobaric data.
9 Click the Data sheet.
10 On the Data sheet, enter the experimental data in the
appropriate columns.
11 Enter standard deviation values for the property data or accept
the system defaults
If you want Aspen Plus to ignore some data or standard deviations
that have already been entered, go to the Usage field, click on the
row, and select Ignore. Aspen Plus will not use the data point in
any subsequent regressions.

Fitting Phase Equilibrium and Mixture

Data
To fit phase equilibrium and mixture data, such as vapor-liquid
equilibrium and mixture density data:
1 Use the Properties Data MIXTURE form to enter experimental
data. See the following section.
2 Use the Properties Regression Input form to specify the
property method, experimental data, and the binary or pair
parameters to be regressed. See Formulating a Regression
Case.

Entering Phase Equilibrium and

Mixture Data
Use the Properties Data MIXTURE form to enter experimental
data for phase equilibrium and mixture properties as a function of
temperature, pressure, and composition. For example, you can
enter Txy vapor-liquid equilibrium data for two components.
To enter phase equilibrium and mixture data:

31-4 • Regressing Property Data Aspen Plus 11.1 User Guide

 1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, click the Data folder.
3 To create a new Data ID, click New on the Data Object
Manager. In the Create New ID dialog box, enter and ID or
accept the default. Choose MIXTURE in the Select Type list
box, and click OK.
4 To edit an existing ID, select the Data ID from the Object
Manger, and click Edit.
5 On the Setup sheet, choose the type of property data in the
Data Type list box, from the choices in Tables 31.1 and 31.2.
You can limit the types of property data under the Property list
box, by selecting a property category in the Category list box.
The default category is All.
6 Select the components from the Available Components list,
and use the right arrow button to move them to the Selected
Components list.
7 In the Temperature and Pressure fields, if active, specify a
constant temperature or pressure. A value entered in these
fields applies to all data points.
8 In the Composition Basis list box, specify the basis of the
composition data. You can enter composition data as mole
fraction, mass fraction, mole percent, or mass percent. Mole
fraction is the default.
9 Click the Data sheet.
10 On the Data sheet, enter the experimental data in the
appropriate columns.
11 Enter standard deviations for the property data or accept the
system defaults.
If you want Aspen Plus to ignore some data or standard deviations
that have already been entered, go to the Usage field, click on the
row, and select Ignore. Aspen Plus will not use the data point in
any subsequent regressions.
Data Types Vapor-Liquid Equilibrium Data
Select For this data
TXY Isobaric VLE
PXY Isothermal VLE
TPXY T-P-x-y VLE
ALPHA Relative volatility. Defined with respect to the first
component listed on the form.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-5

 Liquid-Liquid Equilibrium Data
Select For this data
TXX T-x-x
PXX P-x-x
TPXX T-P-x-x
TPXXY T-P-x-x-y
TPXXY is Vapor-liquid-liquid equilibrium data
Use with NRTL or UNIQUAC-based property methods; the
ELECNRTL property method; or SR-POLAR, PRWS, PRMHV2,
RKSWS, RKSMHV2, and PSRK equation-of-state property
methods.
Mixture Property Data
Select For this data
CPLMX Liquid heat capacity
CPVMX Vapor heat capacity
CPSMX Solid heat capacity
GLXS Excess liquid Gibbs free energy
HLMX Liquid enthalpy
HLXS Excess liquid enthalpy
HVMX Vapor enthalpy
HSMX Solid enthalpy
KLMX Liquid thermal conductivity
KVMX Vapor thermal conductivity
KSMX Solid thermal conductivity
MULMX Liquid viscosity
MUVMX Vapor viscosity
RHOLMX Liquid mass density
RHOVMX Vapor mass density
RHOSMX Solid mass density
SIGLMX Liquid surface tension
USER-X User property versus x
USER-Y User property versus y
VLMX Liquid molar volume
VVMX Vapor molar volume
VSMX Solid molar volume

31-6 • Regressing Property Data Aspen Plus 11.1 User Guide

 Partial Property Data (Data for Components in a Mixture)
Select For this data
DLMX Liquid diffusion coefficients
DVMX Vapor diffusion coefficients
GAMMA Liquid activity coefficients
GAMMAS Solid activity coefficients
HENRY Henry’s constants
KLL Liquid-liquid distribution coefficients
KVL Vapor-liquid K-values
USERI-X User partial property versus x
USERI-Y User partial property versus y
Data Types for Electrolyte Systems
Select For this type To
of data
GAMMAM Mean ionic Determine parameters for the electrolyte
activity activity coefficient model
coefficient †
HLMX Liquid molar Determine the temperature dependency
enthalpy of binary or pair parameters for the
activity coefficient model ††
OSMOT Osmotic Determine parameters for the electrolyte
coefficient activity coefficient model
PH pH Determine chemical equilibrium
constants (use only the apparent
component approach)
TPX Salt solubility Regress parameters for the electrolyte
††† activity coefficient model and chemical
equilibrium constants for precipitating
salts. Obtain electrolyte-electrolyte pair
parameters for the electrolyte NRTL
model
TX Salt solubility
†††
TXY, PXY, or Vapor liquid Regress electrolyte activity coefficient
TPXY equilibrium model parameters, Henry's constants,
and chemical equilibrium constants
TXX, TPXX, Liquid liquid Regress electrolyte activity coefficient
or TPXXY equilibrium model parameters and chemical
equilibrium constants
VLMX Liquid molar Determine parameters for the Clarke
volume density model
† You can enter only the molality scale mean ionic activity
coefficient data of single electrolyte systems.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-7

 †† Use data at several temperatures to ensure accurate
representation of heat of mixing.
††† Enter at saturation, for single or mixed electrolyte solutions.
You must specify the salt precipitation reactions on the Reactions
Chemistry form.

Generating Binary VLE and LLE Data

You can generate VLE and LLE data for a two-component system,
using a specified property method. Aspen Plus can then use the
generated data to regress parameters for another property method.
With this feature you can convert parameters between different
property models.
For example, you can generate VLE data using the UNIFAC
predictive property method, then use the generated data to
determine the binary parameters for the WILSON property
method.
To generate binary VLE and LLE data:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, click the Data folder.
3 To create a new Data ID, click New on the Data Object
Manager.
4 In the Create New ID dialog box, enter an ID or accept the
default. Choose MIXTURE in the Select Type list box, and
click OK.
5 To edit an existing ID, select the Data ID from the Object
Manger, and click Edit.
6 On the Setup sheet, choose the type of property data in the
Data Type list box:
Select To generate this data
TXY, PXY, or TPXY VLE
TXX or TPXX LLE
Do not select the GEN-TPXY or GEN_TPXX data type
7 Select the components from the Available Components list and
click the right arrow button to move them to the Selected
Components list.
8 In the Temperature and Pressure fields, if active, specify a
constant temperature or pressure at which the data will be
generated.
9 Click the Data sheet.
10 On the Data sheet, click the Generate Data button.

31-8 • Regressing Property Data Aspen Plus 11.1 User Guide

 11 In the Generate Binary VLE or LLE Data dialog box, select a
property method, and a Henry’s Components ID and Chemistry
ID, if applicable.
12 Click the Generate button to generate the data.
The Data sheet displays the liquid phase compositions for
which data are to be generated for the regression.

Entering Standard Deviations of

Measurements
The standard deviation of a measurement variable is an estimate of
the magnitude of random error. Data Regression assigns
reasonable default values for standard deviations, based on the
property or data type you select. If you know the standard
deviations of your data, enter them on the Properties Data Data
sheet.
Data Regression assigns the following default standard deviation
values:
For Value
Temperature 0.1 degrees †
Pressure 0.1%
Liquid compositions 0.1%
Vapor compositions 1.0%
Properties 1.0%
† For Txx or TPxx data, the default is 0.01
You can assign a set of standard deviation values to:
• A single data point
• Several data points
• All data points in a data group
To enter a standard deviation row on a Properties Data Data sheet,
go to the Usage field, and select Std-Dev. The values you enter
will apply to all subsequent data points until another Std-Dev row
is encountered. Enter the standard deviation in percent or as an
absolute value. Data Regression does not require precise values of
standard deviations. Usually you only need to determine the
appropriate order of magnitude and ratios.
A variable that has a standard deviation value of zero is treated as
error-freeOnly state variables with little or no random error can
have standard deviations of zero. Properties such as vapor pressure
or density cannot. You cannot enter all standard deviation values
as zero.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-9

 For phase equilibrium data, such as TPXY data, the number of
non-zero standard deviations must be greater than or equal to the
number of phase equilibrium constraints (or equivalently, the
number of components in the mixture that participate in phase
equilibrium). For example, for TPXY data of two components, you
can assign a standard deviation of zero to only two variables.
Either T or P, and either X(1) or Y(1) can have zero standard
deviations. An exception is TPX data. You can set the standard
deviation of X and either T or P to zero.
Unrealistically small standard deviations for "noisy" measurement
variables cause convergence problems.

Plotting Experimental Data

You can display a plot of the experimental data you entered using
the Plot Wizard from the plot menu.
Depending on the type of data you entered, the Plot Wizard allows
the following types:
Plot Typet Description
T-xy T-xy plot for isobaric VLE data
P-xy P-xy plot for isothermal VLE data
T-x T-x plot for isobaric VLE data
P-x P-x plot for isothermal VLE data
y-x y-x plot for VLE data
T-xx T-xx plot for LLE data
P-xx P-xx plot for LLE data
Prop-x Property vs. Composition
Prop-T Property vs. Temperature
Triangular Triangular diagram for ternary LLE data

Formulating a Regression Case

Use the Properties Regression forms to formulate a regression
case.
A regression case requires:
• Experimental data
• Parameters for regression

31-10 • Regressing Property Data Aspen Plus 11.1 User Guide

 To formulate a regression case:
1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, click the Regression
folder.
3 To create a new Regression ID, click New on the Regression
Object Manager. In the Create New ID dialog box, enter an ID
or accept the default, and click OK.
4 To edit an existing ID, select the Regression ID from the
Object Manger, and click Edit.
5 In the Property Options frame of the Regression Input Setup
sheet, specify property method, Henry Components ID,
Chemistry ID, and electrolyte calculation method. The global
properties specifications you entered on the Properties
Specifications Global sheet are the default. You can select any
property method already entered on the Properties
Specifications form.
6 At the bottom of the Setup sheet, use the Data Set list boxes to
enter the Data set IDs for the experimental data to be regressed.
To assign more weight to data sets, enter a value greater than 1
in the Weight field.
7 For each Binary VLE Data set referenced, you can choose
whether you want a thermodynamic consistency test
performed, using the Perform Test check box. If you choose to
perform a consistency test, you can use the Test Method list
box to choose the type of consistency test. Also select whether
you want to reject data sets that fail the consistency test, using
the Reject check box.
8 Click the Parameters sheet.
9 Enter the Parameters to be regressed, according to the
procedure in the following section, Specifying Parameters to be
Regressed.
In many cases Aspen Plus will automatically complete the
Regression Input form based on the property method and Data sets
you have specified. For example, suppose you select the NRTL
property method and enter Txy data for a binary system.
Aspen Plus completes the Regression Input form by:
• Filling in the Data ID field
• Specifying that the NRTL binary parameters are to be
regressed

Aspen Plus 11.1 User Guide Regressing Property Data • 31-11

 Specifying In cases where the parameters to be regressed are not specified
Parameters to be automatically, or when you want to modify the default parameters
Regressed or add additional parameters, you can use the Regression Input
Parameters sheet.
To specify parameters to be regressed:
1 In the Type field of the Regression Input Parameters sheet,
select one:
Option For
Parameter Pure component parameter
Binary parameter Binary parameter
Group parameter UNIFAC group parameter
Group binary parameter UNIFAC group binary parameter
Pair parameter Electrolyte NRTL model pair parameter
Chemistry Equilibrium constants for electrolyte chemistry
2 In the Name/Element list box, select the parameter names. The
prompt identifies parameters.
3 Enter the element number of the parameter in the field just to
the right of the parameter name. For group interaction
parameters for the Lyngby-modified UNIFAC and the
Dortmund-modified UNIFAC models, only the first element
can be regressed.
4 Enter the component(s) or UNIFAC group IDs in the
Component/Group list boxes.
5 For each parameter, use the Usage list box to:
Specify If you want the parameter to be
Regress † Used in the current regression case
Exclude Excluded †† from the current regression
[Link] value in the Initial Value field is
ignored.
Fix Set to the fixed value given in the Initial Value
field. †††
† Default
†† If the parameter is in the databank or has been entered on the
Properties Parameters forms, Aspen Plus uses this value in the
property calculation during the regression.
††† You can fix a parameter to a given value in one case, then set
it to another value in another case to study the effect on the fit. For
example, you can fix the third element of the NRTL binary
parameter (the nonrandomness factor) in a case study to see which
value gives the best results

31-12 • Regressing Property Data Aspen Plus 11.1 User Guide

 6 You can enter Initial Value, Lower Bound, Upper Bound, and
Scale Factor for the parameter.

Thermodynamic Consistency Test for

VLE Data
Aspen Plus tests the binary VLE data you enter on the Data
Mixture form for thermodynamic consistency when you supply
both of the following:
• Composition data for both the liquid and vapor phases
• At least five data points, not counting pure component data
points (x=0.0 and x=1.0)
Aspen Plus provides two methods for testing consistency:
• The area test of Redlich-Kister
• The point test of Van Ness and Fredenslund
Both methods use the Gibbs-Duhem equation. For detailed
information on both tests, see J. Gmehling and U. Onken, Vapor-
Liquid Equilibrium Data Collection, DECHEMA Chemistry Data
Series, Vol. I, Part 1, ed. Dieter Behrens and Reiner Eckermann
(Frankfurt/Main: DECHEMA, Deutsche Gesellschaft fur
Chemisches Apparatewesen, 1977).
By default, Aspen Plus performs the area test. To select another
test method or to change the test tolerance, use the Regression
Input Setup sheet. On the Setup sheet you can also specify whether
you want to use or reject the data sets that fail the consistency tests.
The Consistency Tests sheet on the Regression Results form
indicates whether your data passes or fails the consistency test.
Failed data can cause accuracy and convergence problems in your
simulation. The test can fail because:
• The data contains errors, either in the original data or occurring
during data entry
• The vapor phase equation-of-state model does not
appropriately account for the vapor phase nonideality
• You do not have enough data points or the data cover only a
small concentration range. To obtain meaningful consistency
test results, enter data for the entire valid composition range.
If your data fail the test, check the data values and units in the Txy,
Pxy, or TPxy data you entered on the Data Mixture form.
To obtain meaningful consistency test results, enter data for the
entire valid composition range. You can ignore the test results if
your data covers only a narrow composition range.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-13

 Evaluating the Accuracy of Known
Model Parameters
You can use Data Regression to evaluate the accuracy of known
model parameters. Compare the calculated results obtained using
the model with your experimental data.
1 Select a property method on the Properties Specifications
Global sheet.
2 Enter the experimental data on the Properties Data forms. See
Entering Pure Component Data, and Entering Phase
Equilibrium and Mixture Data, this chapter.
3 Enter the known model parameters on the Properties
Parameters forms. To evaluate parameters stored in the
databanks, skip this step.
4 Specify the property method and experimental data to be used
in the evaluation on the Regression Input Setup sheet
5 In the Calculation Type frame on the Regression Input Setup
sheet, select Evaluation.

Running the Regression

To run the regression, select Run from the Run menu or the
Control Panel. If you have more than one regression case, the Data
Regression Run Selection dialog box appears. All cases are listed
in the Run area. The Don’t Run area is empty. You can:
• Run all the cases by clicking on OK.
• Change the order in which the cases are executed. Select a case
and use the Up and Down arrows.
• Exclude certain Regression cases from the run. Select a case,
then use the left arrow to move the case into the Don’t Run
area.
The order in which the regression cases are run may be significant.
The regressed parameter values from a regression case are used
automatically in all subsequent regression cases. Aspen Plus will
execute the regression cases in the order they appear in the Run
area.

31-14 • Regressing Property Data Aspen Plus 11.1 User Guide

 Using Regression Results
This section discusses examining, plotting and comparing
regression results.
Examining To examine regression results:
Regression Results 1 From the Data menu, click Properties.
2 In the left pane of the Data Browser, double-click the
Regression folder.
3 From the Data Browser menu tree, double-click the Regression
ID of interest, and select Results.
The Regression Results form appears, containing these sheets:
Sheet Shows
Parameters Final parameter estimates, final parameter standard
deviations, number of iterations and the property
method used
Consistency Tests Thermodynamic consistency test results
Residual Residual for each property: the experimental value;
regressed value; standard deviation; difference
between the experimental and regressed values; the
percent difference. A summary of the deviation,
including average and maximum deviations can be
obtaining by clicking the Deviations button
Profiles All experimental and calculated values. These data
are used on all pre-defined plots. (see Plotting
Regression Results, this chapter)
Correlation Parameter correlation matrix: intercorrelation
between the parameters
Sum of Squares Objective function, regression algorithm,
initialization method, final weighted sum of squares
and residual root mean square error
Evaluation Property method, final weighted sum of squares and
residual root mean square error for the evaluation of
experimental data. This result sheet is only active for
Evaluation cases.
Extra Property Residuals for extra properties when VLE data is
used, as requested on the Regression Input Report
sheet (for example, activity coefficients and K-
values)
Problems with Data If your Data Regression run fails to converge, the Properties Data
Regression Results forms probably contain data entry errors. Check the data values
and units. Plot the data to check for errors or outliers using the Plot
Wizard from the Plot menu.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-15

 Inappropriate standards deviations may have been used for the
data. See Entering Standard Deviations of Measurements for
guidelines.
If you use binary VLE data, the data may not be
thermodynamically consistent. Request consistency test on the
Setup sheet. Rerun the regression. Examine the test results on the
Regression Results Consistency Tests sheet.
When fitting different models to the same data set, choose the
model that gives the smallest residual root mean square error
value.
On the Regression Results Correlation sheet, the off-diagonal
elements of the matrix indicate the degree of correlation between
any two parameters. When the parameters are completely
independent, the correlation coefficient is zero. A number close to
1.0 or -1.0 indicates a high degree of correlation. If possible, select
parameters that are not correlated. An important exception:
asymmetric binary parameters for activity coefficient models are
highly correlated. Both the ij and ji parameters are required for best
fits.
How to Identify It is possible for your Data Regression run to converge without
Unsatisfactory Data errors, but with results unsuitable for use in a simulation run. Use
Regression Results these Regression Results sheets to identify bad fits:
• Parameters
• Sum of Squares
• Consistency Tests
These signs indicate a bad fit:
• A standard deviation for a regressed parameter is 0.0,
indicating the parameter is at a bound.
• A large residual root mean square error value. Normally, this
value should be less than 10 for VLE data and less than 100 for
LLE data.
• Your VLE data fail the thermodynamic consistency test.
If any of these conditions exist, check the original data source and
the data and units on the Properties Data forms for errors. Plot the
data using the Plot Wizard from the Plot menu. Use the
Regression Results Residual sheet to see how well each data point
was fitted. Look for out-liers.
Plotting Regression When viewing the Regression Results form, you can use the Plot
Results Wizard to generate useful plots of the regression results.
Aspen Plus provides a number of predefined plots.

31-16 • Regressing Property Data Aspen Plus 11.1 User Guide

 To start the Plot Wizard, choose Plot Wizard from the Plot menu
on the main menu bar while viewing the Regression Results form.
Depending on your type of regression, some of the plots below will
be available:
Name of Plot Description
T-xy Temperature versus liquid and vapor composition for
isobaric VLE data
P-xy Pressure versus liquid and vapor composition for
isobaric VLE data
T-x Temperature versus liquid composition for isobaric VLE
data
P-x Pressure versus liquid composition for isobaric VLE
data
y-x Vapor versus liquid composition
T-xx Temperature versus liquid 1 and liquid 2 composition
for LLE data
P-xx Pressure versus liquid 1 and liquid 2 composition for
LLE data
Prop-x Property versus liquid composition
Prop-T Property versus temperature
(y-x) vs. x Vapor minus liquid composition versus liquid
composition
Triangular Triangular diagram for ternary LLE data
Exp vs. Est Experimental versus calculated
Residual Residual versus property
The residual versus property plot shows how the errors are
distributed. If the measurement data contain no systematic errors,
the deviations should distribute randomly around the zero axis.
Predefined plots such as T-xy or P-xy display the experimental
data as symbols and the calculated values as lines. These plots
allow you to assess the quality of the fit. You can also identify bad
data points by comparing the experimental data with the calculated
results.
You can use the Property Analysis capabilities to plot T-xy or P-xy
diagrams at other conditions to check the extrapolation of the
regressed parameters.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-17

 Comparing Results You can plot the results from several Regression cases on a single
from Several Cases plot. This allows you to compare several property models in fitting
the same sets of data. To plot results from several cases, select Add
to Plot on the Plot Wizard (step 3). For example, you could make a
Txy plot using results from two cases:
1 From the Plot menu of a results form of the first case, use the
Plot Wizard to generate a T-xy plot.
2 Select the data group and component to plot. Click Next or
Finish to display the plot
3 Go to the Regression Results form. Do not close the plot.
4 Use the Plot Wizard from the Plot menu. Select the T-xy plot
type. Click Next
5 Select the same data group and component as in step 2
6 For select Plot Mode, select Add to Plot, then select the first
plot from the list box
7 Click Next of Finish to display the combined plot.
You can change the plot attributes as necessary, by using the
Properties option from the right mouse button menu.
Using Regression The parameters determined by regression are placed automatically
Results in a on the appropriate Properties Parameters forms. To use the
Flowsheet Run regressed parameters in a flowsheet run:
1 From the Data Browser, select the Setup Specifications Global
sheet.
2 In the Run-type field, select Flowsheet.
You can copy regression and estimation results onto parameters
forms on the Component Data sheet:
1 From the Tools menu, select Options.
2 Click the Component Data tab.
3 Check the Copy Regression and Estimation Results Onto
Parameters Forms check box.
Retrieving Data From You can retrieve a wide range of experimental data from
DETHERM and the DETHERM and the internet. DETHERM contains the world’s
Internet most comprehensive collection of thermo physical property and
phase equilibrium data. If you have a valid license to use
DETHERM, click the DETHERM icon on the main application
tool bar to search for the experimental data you need. Experimental
data you retrieve will appear on the Properties Data forms and are
ready for use in data regression. Please call your account manger at
Aspen Technology to register to use Internet DETHERM.

31-18 • Regressing Property Data Aspen Plus 11.1 User Guide

 Example of Regressing For an ethanol-ethyl acetate system, the following vapor liquid
Vapor Liquid Equilibrium equilibrium data are available.
Data for Ethanol and
Ethyl-Acetate 40C and 70C data of Martl, Collect. Czech. Chem. Commun. 37,266
(1972):
T=40C T=70C
P MMHG X ETOAC Y ETOAC P MMHG X ETOAC Y ETOAC
136.600 0.00600 0.02200 548.600 0.00650 0.01750
150.900 0.04400 0.14400 559.400 0.01800 0.04600
163.100 0.08400 0.22700 633.600 0.13100 0.23700
183.000 0.18700 0.37000 664.600 0.21000 0.32100
191.900 0.24200 0.42800 680.400 0.26300 0.36700
199.700 0.32000 0.48400 703.800 0.38700 0.45400
208.300 0.45400 0.56000 710.000 0.45200 0.49300
210.200 0.49500 0.57400 712.200 0.48800 0.51700
211.800 0.55200 0.60700 711.200 0.62500 0.59700
213.200 0.66300 0.66400 706.400 0.69100 0.64100
212.100 0.74900 0.71600 697.800 0.75500 0.68100
204.600 0.88500 0.82900 679.200 0.82200 0.74700
200.600 0.92000 0.87100 651.600 0.90300 0.83900
195.300 0.96000 0.92800 635.400 0.93200 0.88800
615.600 0.97500 0.94800
Atmospheric data of Ortega J. and Pena J.A., J. Chem. Eng. Data
31, 339 (1986):
T C X ETOAC Y ETOAC T C X ETOAC Y ETOAC
78.450 0.00000 0.00000 71.850 0.44700 0.48700
77.400 0.02480 0.05770 71.800 0.46510 0.49340
77.200 0.03080 0.07060 71.750 0.47550 0.49950
76.800 0.04680 0.10070 71.700 0.51000 0.51090
76.600 0.05350 0.11140 71.700 0.56690 0.53120
76.400 0.06150 0.12450 71.750 0.59650 0.54520
76.200 0.06910 0.13910 71.800 0.62110 0.56520
76.100 0.07340 0.14470 71.900 0.64250 0.58310
75.900 0.08480 0.16330 72.000 0.66950 0.60400
75.600 0.10050 0.18680 72.100 0.68540 0.61690
75.400 0.10930 0.19710 72.300 0.71920 0.64750
75.100 0.12160 0.21380 72.500 0.74510 0.67250
75.000 0.12910 0.22340 72.800 0.77670 0.70200
74.800 0.14370 0.24020 73.000 0.79730 0.72270
74.700 0.14680 0.24470 73.200 0.81940 0.74490
74.500 0.16060 0.26200 73.500 0.83980 0.76610
74.300 0.16880 0.27120 73.700 0.85030 0.77730
74.200 0.17410 0.27800 73.900 0.86340 0.79140
74.100 0.17960 0.28360 74.100 0.87900 0.80740
74.000 0.19920 0.30360 74.300 0.89160 0.82160
73.800 0.20980 0.31430 74.700 0.91540 0.85040
73.700 0.21880 0.32340 75.100 0.93670 0.87980
73.300 0.24970 0.35170 75.300 0.94450 0.89190
73.000 0.27860 0.37810 75.500 0.95260 0.90380
72.700 0.30860 0.40020 75.700 0.96340 0.92080
72.400 0.33770 0.42210 76.000 0.97480 0.93480
72.300 0.35540 0.43310 76.200 0.98430 0.95260
72.000 0.40190 0.46110 76.400 0.99030 0.96860
71.950 0.41840 0.46910 77.150 1.00000 1.00000
71.900 0.42440 0.47300
1 Start Aspen Plus and create a new run, selecting Data
Regression as the Run Type.
2 Enter the components on the Components Specifications
Selection sheet:

Aspen Plus 11.1 User Guide Regressing Property Data • 31-19

 Note: A complete backup file with results for this example is
available in the Aspen Plus Online Applications Library. The
filename is DRS1.

In this example three activity coefficient models will be fitted

to the VLE data, each in a separate case.
3 Select the property method.
Use the Properties Specifications Global sheet to choose a
property method. This example compares fitting results for the
Wilson, NRTL, and UNIQUAC property methods. Select one
of the three on the Global sheet and the remaining two on the
Referenced sheet. In this example, the Wilson model is chosen
on the Global sheet.

31-20 • Regressing Property Data Aspen Plus 11.1 User Guide

 4 Enter experimental data.
Use the Properties Data Mixture form to enter the vapor liquid
equilibrium data. Three data sets are required, one for each set
of VLE data. The following setup and Data sheets are for the
40°C isothermal data set.

5 Specify the regression case.

Use the Properties Regression form to formulate a regression
case. In this example, Aspen Plus has already completed the
Properties Regression Input form. Since the WILSON property
method is the Global property method, it is used as the default
in the regression. All the VLE data groups you entered in Step
4 are on this form. Aspen Plus will test the data for
thermodynamic consistency, using the Area test.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-21

 Since the VLE data cover a wide temperature range,
Aspen Plus selects elements 1 and 2 of the Wilson binary
parameters for regression. Aspen Plus uses the databank values
for the binary parameters as initial guesses in the regression.

6 Specify additional regression cases.

Use the Regression Object Manager to specify two additional
cases. Use the same set of experimental data, but with the
NRTL and UNIQUAC property methods. Again Aspen Plus
completes the Regression Input form. However, since the

31-22 • Regressing Property Data Aspen Plus 11.1 User Guide

 WILSON property method is the global property method, it is
the default. Specify NRTL in the Method list box on the Setup
sheet, so that the NRTL property method is used in the second
case. When the NRTL property method is used, the NRTL
binary parameters must be regressed. Specify the NRTL binary
parameter elements 1 and 2 as the regression parameters.

Repeat this step for the UNIQUAC property method.

7 Run the regression.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-23

 Run all three cases. Click OK on the Data Regression Run
Selection dialog box. You can also run selected cases. Move
the cases you do not want to run into the Don’t Run area, using
the left arrow.

8 Examine the results on the Regression Results form.

Use the Regression Results Parameters sheet to examine the
final parameter values

31-24 • Regressing Property Data Aspen Plus 11.1 User Guide

 Use the Regression Results Sum of Squares sheet to examine
the weighted sum of squares and residual root mean square
errors.

Use the Regression Results Consistency Tests sheet to examine

the results of thermodynamic consistency tests. All data groups
passed the Redlich Kister area test.
Use the Regression Results Residual sheet to examine the
residual for the fit of pressure, temperature, and composition.

Aspen Plus 11.1 User Guide Regressing Property Data • 31-25

 Use Plot Wizard from the Plot menu to plot the residual of
pressure for case VLE 1.

You can also plot the residual of other variables.

It is most useful to compare experimental data with calculated
results. From the Plot menu, use the Plot Wizard to generate a
P-xy plot for the first data group.

Add the results from the NRTL and UNIQUAC cases to the
plot for WILSON. (See Comparing Results From Several
Cases, this chapter.)

31-26 • Regressing Property Data Aspen Plus 11.1 User Guide

 C H A P T E R 32

Petroleum Assays and

Pseudocomponents

Overview
This section explains how to use the Assay Data Analysis and
Pseudocomponent System (ADA/PCS) to define and characterize
petroleum mixtures.
Topics include how to:
• Use ADA/PCS
• Create assays and enter assay data
• Create a blend and enter blend specifications
• Generate and define pseudocomponents
• Define and modify petroleum properties
• Examine ADA/PCS results

About ADA/PCS
You can use ADA/PCS for defining and characterizing petroleum
mixtures.
You can enter data for any number of assays. The minimum assay
data consists of a distillation curve and a bulk gravity value. You
can enter optional data, such as:
• Light-ends analysis
• Gravity curve
• Molecular weight curve

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-1
 You can enter any number of petroleum property curves, such as:
• Sulfur content
• Metal content
• Freeze point
• Octane numbers
Given data for any number of assays, ADA/PCS:
• Converts the distillation data into the true boiling point basis
• Performs extrapolations on assay curves and estimates any
missing data
• Generates blends from two or more assays
• Develops sets of pseudocomponents to represent the assays and
blends
• Reports distillation curves for assays and blends in user-
specified bases
• Estimates physical properties for each pseudocomponent
You can define your own pseudocomponents and use ADA/PCS to
estimate their physical properties.

Using ADA/PCS
You can use ADA/PCS in:
• A standalone Assay Data Analysis run
• A Flowsheet simulation run
To use ADA/PCS on a standalone basis, specify Assay Data
Analysis in the Run Type list on the Setup Specifications Global
sheet. Or specify Assay Data Analysis in the Run Type list on the
New dialog box when creating a new run.
In an Assay Data Analysis run, only ADA/PCS calculations are
performed. You can display and plot the distillation curves for
assays and blends in different bases, and examine the generated
pseudocomponents and their properties.
In a Flowsheet run, you can use assays, blends, and
pseudocomponents to define process feed streams for the
simulation. If you entered petroleum properties, Aspen Plus
automatically associates these properties with the streams.

32-2 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 Creating Assays
You can define an assay using one of the following:
• Components Specifications Selection sheet
• Assay-Blend Object Manager
Defining an Assay To define an assay using the Components Specifications Selection
Using the sheet:
Components 1 From the Data menu, select Components, then Specifications.
Specifications
Selection Sheet 2 On the Components Specifications Selection sheet, enter a
name for the assay in the Component ID field.
3 In the Type list, select Assay as the component type.
4 In the left pane of the Data Browser, click the Assay/Blend
folder.
5 In the Assay/Blend Object Manager, select the Assay ID for
which you are entering assays, then click Edit.
Select the appropriate Assay sheet to enter assay data.
Defining an Assay To define an assay using the Assay-Blend Object Manager:
Using the Assay- 1 From the Data menu, select Components, then Assay/Blend.
Blend Object
Manager 2 On the Assay-Blend Object Manager, click New.
3 In the Create New ID dialog box, choose Assay in the Select
Type list.
4 Enter an ID for the assay, or accept the default ID.
5 Click OK.
The Assay Input menu appears. Select the appropriate assay sheet
to enter assay data.

Entering Assay Data

For each assay you must enter:
• At least four points on a distillation curve
• Either a bulk gravity or a gravity curve
Instructions for enter this required data, as well as other optional
data, are contained in the subsequent discussions of sheets and
forms.

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-3
 Entering a Distillation The assay distillation curve and bulk gravity value are entered on
Curve and Bulk the Dist Curve sheet of the Components Assay/Blend Basic Data
Gravity Value form.
To enter the required distillation curve and gravity input:
1 From the Data menu, select Components, then Assay/Blend.
2 On the Assay-Blend Object Manager, select the assay for
which you wish to enter data, and click Edit.
3 On the Dist Curve sheet, select a type of curve in the
Distillation Curve Type list.
4 In the Percent Distilled and Temperature columns, enter at least
four pairs of distillation percent and temperature values for the
curve.
5 In the Bulk Gravity Value frame, enter either Specific Gravity
or API Gravity, by clicking the appropriate radio button, and
typing in the value.
- or -
Click the Gravity/UOPK tab to open that sheet, and enter in a
gravity curve. (See next section for details on entering a gravity
curve.)
By default Aspen Plus reports the distillation curve in the input
and the true boiling (liquid volume) basis. You can use the
Optional sheet to request additional distillation curves to be
reported for the assay.
Use the remaining sheets on the Basic Data form, as well as the
Property Curves form, to enter optional information as
described below.
Entering a Gravity If you do not enter a bulk gravity value on the Dist Curve sheet,
Curve you must enter a gravity curve using the Gravity/UOPK sheet. You
may enter either:
• Gravity curve data
• Watson UOP K curve data
Gravities you specify on this sheet are normalized to match the
bulk gravity value specified on the Dist Curve sheet.
To enter a gravity curve:
1 On the Gravity/UOPK sheet of the Components Assay/Blend
Basic Data form, select the type of gravity data you wish to
enter by clicking one of the options in the Type frame.
2 Enter at least four pairs of mid-percent and gravity values to
define the profile in the columns for data.
If you enter a Watson UOPK curve, you must enter an average
gravity on the Assay Basic Data Dist Curve sheet. If the distillation

32-4 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 type is True Boiling Point (weight basis) or Vacuum (weight
basis), you cannot enter a Watson UOPK curve.
Entering a Molecular You can enter a molecular weight curve using the Molecular Wt
Weight Curve sheet of the Assay/Blend Basic Input form. If you do not enter a
molecular weight curve, Aspen Plus estimates it from the
distillation curve and gravity you specify.
To enter a molecular weight curve:
• On the Molecular Wt sheet, enter at least four pairs of values in
the Mid Percent Distilled and Molecular Weight fields to
define the curve.
Entering Light-Ends You can enter light-ends analysis for an assay in terms of the
Analysis compositions of light-ends components. If you enter light-ends
analysis, Aspen Plus does not generate pseudocomponents for the
light-ends portion of the assay. If you wish to specify light-ends
analysis, do this on the Light Ends sheet of the Components
Assay/Blend Basic Data form.
To enter a light-ends analysis:
1 In the Light Ends Analysis frame of the Light Ends sheet, use
the Component and Fraction columns to enter the component
IDs and light ends fractions that make up the analysis. For your
fractions, you can select a basis of Mass, Mole, or Standard
Liquid Volume at the top of the column.
2 If the light-ends component is not in the databank, specify
gravity and molecular weight in the Gravity and Molecular
Weight fields of the analysis table.
3 Optionally, at the top of the sheet, enter the light-ends fraction
as a fraction of the assay, in the Light Ends Fraction field.
If you enter this value, the specified individual component
fractions are normalized to this overall value. If you omit this
value, individual component fractions are treated as fractions
of the entire assay mixture.
Entering Petroleum You can enter any number of petroleum property curves for an
Property Curves assay, using the Petro Properties sheet of the Components
Assay/Blend Property Curves form. Aspen Plus allows a variety of
built-in curve types. Based on these curves, Aspen Plus assigns
property values to individual pseudocomponents in the simulation.
Examples of petroleum properties include:
• Sulfur content
• Metal content
• Octane numbers

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-5
 To enter petroleum property curves:
1 On the Petro Properties sheet, select a petroleum property in
the Property Type list.
2 In the Property Curve Data frame, enter at least four pairs of
values in the Mid Percent Distilled and Property Value fields,
to define the curve.
3 Optionally, enter a bulk value for the property in the Bulk
Value field. If you enter a bulk value, Aspen Plus normalizes
the individual curve values to the bulk value.
4 To enter additional property curves, repeat steps 1 through 3
for each additional property.
Entering Viscosity You can enter viscosity curves at different temperatures for an
Curves assay using the Viscosity sheet of the Components Assay/Blend
Property Curves form. Viscosity curves can be entered as either
absolute or kinematic viscosity values as a function of percent
distilled for the assay. Based on these curves, Aspen Plus will
assign viscosity to pseudocomponents generated for the assay.
To enter viscosity curves:
1 On the Viscosity sheet of the Components Assay/Blend
Property Curves form, choose a type of viscosity (Absolute or
Kinematic) by clicking on the appropriate option in the Type
frame.
2 In the Temperature list, select New.
3 In the New Item dialog box, enter a temperature for the
viscosity curve, and click OK.
4 In the Mid Percent Distilled and Viscosity fields, enter at least
four pairs of values to define the curve.
5 To enter viscosity curves at additional temperatures, repeat
steps 1 through 5 for each curve.
To compute viscosity at multiple temperatures from the curves in
the simulation, you must enter viscosity curves for at least two
temperatures.

32-6 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 Creating a Blend
You can create a blend from any number of assays.
Aspen Plus performs blending on all available assay data:
• Distillation curves
• Gravity curves
• Molecular weight curves
• Light-ends analysis
• Petroleum properties curves
• Viscosity curves
Petroleum and viscosity curves are blended using the built-in or
user-supplied blending rules. See Modifying Petroleum Property
Definitions.
When you define a stream using a blend, Aspen Plus automatically
associates the petroleum properties and viscosity for the blend with
the stream.
You can define a blend using either of the following:
• Components Specifications Selection sheet
• Assay-Blend Object Manager
Defining a Blend To define a blend using the Components Specifications Selection
Using the sheet:
Components 1 From the Data menu, select Components, then Specifications.
Specifications
Selection Sheet 2 On the Components Specifications Selection sheet, enter a
name for the blend in the Component ID field.
3 In the Type list, select Blend as the component type.
4 In the left pane of the Data Browser, click the Assay/Blend
folder.
5 In the Assay/Blend Object Manager, select the Blend ID you
just created, and click Edit. The Components Assay/Blend
Mixture form appears.
To enter the blend specifications, see Entering Blend
Specifications.
Defining a Blend To define a blend using the Assay-Blend Object Manager:
Using the Assay- 1 From the Data menu, select Components, then Assay/Blend.
Blend Object
Manager 2 On the Assay-Blend Object Manager, click New.
3 In the Create New ID dialog box, choose Blend in the Select
Type list.

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-7
 4 Enter an ID for the blend, or accept the default ID.
5 Click OK.
The Components Assay/Blend Mixture form appears. To enter
the blend specifications, see Entering Blend Specifications.

Entering Blend Specifications

To enter blend specifications, use the Specifications sheet of the
Components Assay/Blend Mixture form:
1 On the Specifications sheet, select two or more assays in the
Assay ID column, and specify the corresponding fraction of
each assay, in the Fraction column. You can enter the assay
blending fractions on a mole, mass or standard liquid volume
basis.
2 By default Aspen Plus reports the distillation curve for the
blend using the input basis and the true boiling point (liquid
volume) basis. If you want to request additional distillation
curve reports for the blend, you can specify this by clicking the
desired curves in the Report Distillation Curve As frame.

Specifying Assay Analysis Options

Aspen Plus provides several options for:
• The assay data analysis procedure
• Converting and extrapolating distillation curves
• The initial and final boiling points for distillation curves
• Blend options for petroleum properties
• Distillation curves spline fitting method
Use the following sheet for:
Sheet To specify
Assay Procedures Assay data analysis procedure, distillation curve
conversion method, and curve processing
options.
Blend Options Blending options for petroleum properties.
Advanced Distillation curves spline fitting method and step
size for molecular weight curve integration.
The defaults are appropriate for most applications.

32-8 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 To override the default options:
1 From the Data menu, select Components, then Petro
Characterization.
2 In the left pane of the Data Browser window, click the Analysis
Options folder.
3 On the Assay Procedures sheet, choose the preferred analysis
procedure by clicking one of the options in the Assay Data
Analysis Procedure frame:
Version 9 or later
– or –
Version 8 or earlier

Note: The Version 9 or later method is recommended.

4 In the Curve Processing Options frame, you can optionally

modify any of the following specifications from their defaults:
Specification Default
Initial boiling point 0.5
Final boiling point 99
Extrapolation method Probability
5 In the Distillation Curve Conversion Method frame, specify the
method for converting the ASTM D86 and D2887 data to true
boiling point (TBP) data.
6 On the Blend Options sheet, specify the blending method for
each petroleum property. The blending method is used when
calculating the bulk property as well as in blending the
petroleum properties of several assays.
If you select the User method, you can also specify a blend
option. The blend option is an option code to be used in the
user-supplied blending routine. The blend option provides
additional flexibility for the user blending routine that you
wrote.
7 On the Advanced sheet, specify the spline fitting method for
the distillation curves. The distillation curves must be spline
fitted to allow easy interpolation. The Hermite method is
recommended. However if the distillation curves you enter
contain many closely spaced points, the linear interpolation
method is preferred. Select the Linear method in the Spline
fitting method field.
8 If you enter the molecular weight (MW) curve for an assay,
Aspen Plus integrates the MW curve to obtain the average
molecular weight. In most cases, the default integration step
size works well.

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-9
 If the integration fails, reduce the step size using the Minimum
step size for MW curve integration field.

Modifying Petroleum Property

Definitions
Aspen Plus has a list of pre-defined petroleum properties. You can
enter property curves for these petroleum properties, as discussed
in Entering Petroleum Property Curves.
Examples of the built-in petroleum properties include:
• Sulfur content
• Metal content
• Freeze point
• Octane numbers
You can modify the definition of these pre-defined properties, or
you can define new properties. See Defining a New Petroleum
Property.
To modify the definition of a petroleum property:
1 From the Data menu, select Components, then Petro
Characterization.
2 In the left pane of the Data Browser window, click the Analysis
Options folder.
3 On the Analysis Options form, select the Blend Options sheet.
4 In the Property list, select a petroleum property you wish to
modify.
5 In the Blend Method field, select a property blending method.
6 If you are using a user blending subroutine, enter an option
code in the Blend Option field. See Aspen Plus User Models
for instructions on writing this subroutine.
7 If the property curve does not encompass 0 and 100 percent,
specify whether it is to be extrapolated in the Extrapolate field.

About Pseudocomponents
You can specify how assays and blends are used to generate
pseudocomponents. ADA/PCS can generate one or more sets of
pseudocomponents for a group of assays and blends. You can use a
particular assay or blend to generate only one set of
pseudocomponents.

32-10 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 If you do not enter any specifications for pseudocomponent
generation, ADA/PCS generates one average set of
pseudocomponents for all the assays and blends. The average set
uses equal weighting for each assay and blend.
You should use ADA/PCS to generate pseudocomponents only for
assays and blends used to define flowsheet streams. This achieves
the best characterization for a simulation. Typically you enter data
for several assays to create a blend, then use the blend to define
flowsheet streams. Generate pseudocomponents for the blend only.
In general, one average set of pseudocomponents for all assays and
blends in the simulation is sufficient. Assign weighting factors to
assays and blends to reflect their relative flow rates.
At times you can improve characterization accuracy by generating
a separate set of pseudocomponents for each assay and blend. Use
separate sets of pseudocomponents when multiple assays and
blends define flowsheet streams, and in the assay/blend:
• Distillation curves have significant overlaps.
• Gravities and Watson K factors are very different.
Multiple sets of pseudocomponents in the simulation increase
computation time.

Entering Specifications for

Generation of Pseudocomponents
To generate a set of pseudocomponents:
1 From the Data menu, select Components, then Petro
Characterization.
2 In the left pane of the Data Browser window, select the
Generation folder.
3 In the Generation Object Manager, click New.
4 In the Create New ID dialog box, enter an ID for the set of
pseudocomponents, or accept the default ID.
5 Click OK.
The Components Petro Characterization Generation form
appears with the Specifications sheet selected.
6 On the Specifications sheet, select the assays and blends for
which an average set of pseudocomponents is to be generated,
using the Assay/Blend ID list.
7 In the Weighting Factor field, you can assign weighting factors
to reflect the relative importance of each assay or blend in the

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-11
 generation of pseudocomponents. By default each assay or
blend is given an equal weight of one.
8 At the bottom of the sheet, select a property method in the
Property Method list. This property method represents the
models to be used in the estimation of all pseudocomponent
properties. By default ADA/PCS uses the ASPEN
pseudocomponent property method to estimate
pseudocomponent properties. See About Pseudocomponent
Property Methods for a description of the built-in property
methods.
Specifying Cut Points By default Aspen Plus generates pseudocomponents using a
standard set of cut points:
TBP Range ( F) Number of Cuts Increments ( F)
100 – 800 28 25
800 – 1200 8 50
1200 – 1600 4 100
To override the standard cut points, use the Generation Cuts sheet
to specify a list for one of the following:
• Cut temperatures
• Cut ranges. For each range, enter either the number of cuts or
the temperature increment for each cut.
By default, Aspen Plus generates pseudocomponents only for cuts
that are within the true boiling point temperature (TBP) range of an
assay or blend. Cuts outside the TBP range are ignored. Use the
Pseudocomponent generation option field on the Generation Cuts
sheet to change the default. Select All to generate
pseudocomponents for all cuts regardless of the TBP range of the
assay or blend. Select In-Range to generate the pseudocomponents
only for cuts within the TBP range of the assay or blend.
Pseudocomponent By default the generated pseudocomponents are named according
Naming Options to their mean average normal boiling point. You can use the
Naming Options sheet on the Generation form to select from five
built-in naming conventions. If you choose User Defined List, you
must enter the pseudocomponent IDs in the Pseudocomponent
fields of the Preview of Pseudocomponent Names frame. These
IDs then appear on the Stream Input Specifications sheets,
allowing you to enter pseudocomponent flows.

32-12 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 Defining Pseudocomponents and
Entering Pseudocomponent
Properties
In addition to allowing Aspen Plus to automatically generate
pseudocomponents for your specified assays and blends, you also
can choose to define pseudocomponents directly.
To create user-defined pseudocomponents, first enter them on the
Components Specifications form:
1 From the Data menu, select Components, then Specifications.
2 On the Selection sheet, enter the names for the user-defined
pseudocomponents in the Component ID fields.
3 Select PseudoComponent as the component type in the Type
list. Leave the Component Name and Formula fields blank for
pseudocomponents.
Entering Basic Once the pseudocomponents are defined on the Components
Properties for Specifications form, enter the basic properties for the
Pseudocomponents pseudocomponent on the Components Pseudo Components
Specifications sheet:
1 From the Data menu, select Components, then
PseudoComponents.
The Components PseudoComponents form appears with the
Specifications sheet displayed.
2 On the Specifications sheet, the pseudocomponents you
defined on the Components Specification form are listed in the
Pseudocomponents column. For each pseudocomponent, enter
at least two of the following properties to characterize the
pseudocomponent:
• Average normal boiling point
• Gravity/Density
• Molecular weight
Gravity or density can be entered in any of the following
formats:
• API gravity
• Specific gravity
• Standard liquid density
3 If you wish to modify the default pseudocomponent property
method, select a new method in the Property Method list. See
About Pseudocomponent Property Methods for descriptions of
the built-in option sets.

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-13
 The default view of the PseudoComponents Specification sheet is
the Basic Layout view. This view allows for a single
pseudocomponent property method, and a single type of gravity or
density to represent all pseudocomponents. If you wish to specify
different property methods, or different types of gravity or density
for individual pseudocomponents, you can select Advanced Layout
from the View list at the top of the sheet. The Advanced Layout
allows individual specifications of property methods and gravity or
density types for each pseudocomponent.
Entering From the basic pseudocomponent properties you entered on the
Temperature- PseudoComponents Specifications sheet, Aspen Plus estimates all
Dependent Properties pure component properties needed for flowsheet simulation.
for
Optionally, you also can provide vapor pressure, viscosity, and
Pseudocomponents
water solubility data as a function of temperature for
pseudocomponents. This improves the accuracy of the
characterization.
To enter these temperature-dependent properties:
1 From the Data menu, select Components, then
PseudoComponents.
2 On the Components PseudoComponents form, there are
separate sheets for Vapor Pressure, Viscosity, and Water
Solubility. Click the appropriate sheet for the type of data you
wish to enter.
3 On the selected sheet, choose a pseudocomponent from the
Component ID list.
4 In the frame below the Component ID, enter the property data
as a function of temperature.
5 To enter data for other components, repeat steps 3 and 4.
6 To enter another property, repeat steps 2 through 4.

About Pseudocomponent Property

Methods
A pseudocomponent property method is a collection of models for
estimating pseudocomponent properties needed for flowsheet
simulation. Pseudocomponent properties that are estimated
include:
• Molecular weight
• Critical properties
• Acentric factor
• Vapor pressure

32-14 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 • Liquid molar volume
• Water solubility
• Viscosity
• Ideal gas heat capacity
• Enthalpy of vaporization
• Standard enthalpy and free energy of formation
• Equation of state properties
You can use a pseudocomponent property method in one of two
ways:
On sheet Specify a pseudocomponent
property method for
Components Petro Characterization Pseudocomponents generated from
Generation Specifications assays
Components PseudoComponents User-defined pseudocomponents
Specifications
You can choose from five built-in pseudocomponent property
methods:
Method Description
API-METH Uses procedures recommended by the American
Petroleum Institute (API) Data Book.
COAL-LIQ Uses correlations developed for coal liquids.
ASPEN Based on the API-METH property method, with
proprietary AspenTech enhancements for selected
properties. (Default option set)
LK Uses correlations by Lee and Kesler.
API-TWU Based on the ASPEN property method, but uses
correlations by Twu for critical properties.
You also can create your own pseudocomponent property methods.
Use your own property methods in the same way as the built-in
option sets. .

Creating Pseudocomponent Property

Methods
You can create your own pseudocomponent property methods by
starting with a built-in method, and modifying individual models
for different pseudocomponent properties.
Aspen Plus provides several built-in models for each
pseudocomponent property. Or you can supply your own model
using a user-supplied subroutine. See Aspen Plus User Models for
instructions on writing this subroutine.

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-15
 To create a new pseudocomponent property method:
1 From the Data menu, select Components, then Petro
Characterization.
2 In the left pane of the Data Browser window, click the
Properties folder.
3 In the Petro Characterization Properties Object Manager, click
New.
4 In the Create New ID dialog box, enter an ID (name) for the
new method, or accept the default ID.
5 Click OK.
6 On the Basic sheet of the Properties form for the new method,
select one of the built-in methods, by selecting from the Copy
All Models From list. The chosen property method will be used
as a basis for the new method.
The remaining fields on the sheet (as well as the
Thermodynamic sheet and the EOS sheet) display the models
used by the base method for each property.
7 Use the remaining fields on the Basic sheet, the
Thermodynamic sheet and the EOS sheet, to specify the
property models which make up the property method.

Defining a New Petroleum Property

You can use a new petroleum property in the same ways as a pre-
defined petroleum property. You can enter the curve data of this
property for any assay. See Entering Petroleum Property Curves.
You can define any number of additional petroleum properties to
be used on the Prop-Sets Properties sheet and the Assay/Blend
Property Curves form.
To define a new petroleum property:
1 From the Data menu, select Properties, then Advanced.
2 In the left pane of the Data Browser window, click the User
Properties folder.
3 In the User Properties Object Manager, click New.
4 In the Create New ID dialog box, enter an ID (name) for the
new property, or accept the default ID.
5 Click OK.
6 On the Specifications sheet of the Properties Advanced User
Properties form, click the Assay Curve Property radio button at
the top of the sheet.

32-16 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 7 In the Assay Curve Property Frame, select a blending method
from the choices provided. The default method is Standard
Liquid Volume Averaging.
If you choose to use a user blending subroutine, enter an option
code in the Blending Option field. See Aspen Plus User Models
for instructions on writing this subroutine.
8 In the Default Property Used for Light Ends list, select a
property to provide values for light-ends components.
9 At the bottom of the sheet, you can choose whether you want
to extrapolate curve data that does not encompass the entire
composition range (0-100%). Extrapolation is turned on by
default. To turn off this option, click the check box to deselect
it.
10 Click the Units sheet.
11 Click the appropriate check box to specify how you want the
units conversion to be calculated.
12 If you choose to let Aspen Plus perform the units conversion,
select the type of units in the Units type list.
13 If you choose to perform the units conversion in a user
subroutine, enter a units label in the Units Label field. This
label will be used in stream reports and property curve results.

Examining ADA/PCS Results

Aspen Plus produces a variety of ADA/PCS results. You can
examine
• ADA results
• Pseudocomponent property results
Examining ADA To examine ADA results:
Results 1 From the Data menu, select Components, then Assay/Blend.
2 On the Assay/Blend Object Manager, select the assay or blend
for which you want to display results, and click Edit.
3 In the left pane of the Data Browser window, click the Results
form beneath the selected assay or blend.

Aspen Plus 11.1 User Guide Petroleum Assays and Pseudocomponents • 32-17
 The Assay-Blend Results form appears, containing these
sheets:
Sheet Shows
Light Ends Results of the light ends analysis
Analysis
Pseudocomp Pseudocomponent and light ends breakdown results
Breakdown
Curves Distillation curves and bulk properties results
Blend Fraction Compositions of blends
(Blends only)
4 From the Curves sheet, you can generate plots of distillation
temperatures versus percent distilled.
Examining To examine pseudocomponent property results:
Pseudocomponent 1 From the Data menu, select Components, then Petro
Property Results Characterization.
2 In the left pane of the Data Browser, click the Results folder.
The Petro Characterization Results form appears, containing
these sheets:
Sheet Shows
Summary Key properties of each pseudocomponent including
normal boiling point, API gravity, specific gravity,
molecular weight, and critical properties.
Petro Properties Petroleum properties of each pseudocomponent
generated from the petroleum property curves you
enter on the Assay/Blend Property Curves form.
These properties include, for example: aniline point,
flash point, sulfur content, and pour point.
Viscosity Viscosity of each pseudocomponent at different
reference temperatures corresponding to the
viscosity curves you enter on the Assay/Blend
Property Curves Viscosity sheet.
Use the type field to select absolute viscosity or
kinematic viscosity. You can also select the units of
measure for the viscosity results.
You can generate plots of pseudocomponent properties versus
boiling points or any other property.

32-18 • Petroleum Assays and Pseudocomponents Aspen Plus 11.1 User Guide
 C H A P T E R 33

Pressure Relief Calculations

Overview
This topic describes how to use the Pressure Relief (Pres-Relief)
features of Aspen Plus to:
• Determine the steady-state flow rating of pressure relief
systems
• Dynamically model vessels undergoing pressure relief due to a
fire or heat input specified by the user.
For help on pressure relief calculations, see one of the following
topics:
• About pressure relief calculations
• About pressure relief scenarios
• Selecting a pressure relief scenario
• Design rules
• Specifying the venting system
• Specifying dynamic input
• Examining results of pressure relief calculations

About Pressure Relief Calculations

Use Pressure Relief to simulate a vessel undergoing pressure relief
or for simple valve rating. Pressure Relief uses the same physical
property models and data as other Aspen Plus flowsheet models.
The modeling equations for nozzle flow, and for bubbly and churn-
turbulent disengagement are based on technology developed by the
Design Institute for Emergency Relief System (DIERS) Users
Group of the AIChE. This technology is considered the best
available for pressure relief system design. The Aspen Plus

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-1

 Pipeline model simulates flow through the inlet and tail pipes in
the relief system.
Pressure Relief always operates in rating mode. This means that
the program will calculate the pressure profile in the vessel and
piping, given the size of the relief device. In addition, you must
specify the:
• Dimensions of the equipment being protected and a connecting
nozzle if present
• Pressure relief scenario
• Dimensions of inlet and tail piping, if present
• Dimensions of the relief device
Each Pressure Relief block models one scenario and one vessel. To
model more than one scenario or pressurized vessel in an
Aspen Plus run, include more than one Pressure Relief block in the
simulation. Pressure Relief blocks are not part of the simulation
flowsheet (there is no icon needed), but they can reference
simulation streams.
Pressure Relief analyzes the specified scenario and reports:
• Rated capacity
• Results profiles (temperature, pressure, vapor fraction)
• Whether the system meets design rules that you select or that
applicable codes (such as ASME) require
Creating a Pressure To create a Pressure Relief block:
Relief Block 1 From the Data menu, point to Flowsheeting Options, then Pres-
Relief.
2 In the Pressure Relief Object Manager, click New.
3 In the Create New ID dialog box, enter an ID (name) or accept
the default ID.
4 Click OK.

33-2 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 The Pressure Relief Setup form appears.

See one of the following topics for information on completing

pressure relief specifications:
• About pressure relief scenarios
• Selecting a pressure relief scenario

About Pressure Relief Scenarios

A Pressure Relief scenario is a situation that causes venting to
occur through the relief system. There are four types of generic
scenarios to choose from:
• Steady-state flow rating of relief system (valve and piping)
• Steady-state flow rating of relief valve (no piping)
• Dynamic run with vessel engulfed by fire
• Dynamic run with specified heat flux into vessel
Steady-State Flow Rating Use this scenario to find the flow rate through an emergency relief
of Relief System system, given the condition of the stream flowing into it and the
Scenario upstream and downstream pressures. The relief system may
include a relief valve a vessel neck, and two segments each, of
inlet and tail pipes, as well as any number of block valves and
fittings. In this scenario the pressure relief model calculates the
steady-state flow rate through the specified system.
Steady-State Flow Rating Use the valve rating scenario when:
of Relief Valve Scenario
• You know the pressure, temperature, and stream composition
• You want to find out the valve capacity

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-3

 The differences between the Valve rating scenario and the Relief
System Rating scenario are that in the Valve Rating scenario:
• No piping is allowed
• The relief device must be a Process Safety Valve (PSV) or a
Process Safety Valve-Process Safety Disk (PSV-PSD)
Dynamic Run With Pressure Relief provides three standards for computing the fire
Vessel Engulfed by Fire exposure scenario:
Scenario
• NFPA 30
• API 520
• API 2000
The chosen fire standard determines which regulations are used to
calculate fire scenario factors such as vessel wetted area, energy
input, and credit factors.
Pressure Relief assumes the calculated energy input is constant
during the entire venting transient. If appropriate, you can specify
individual credit factors for drainage, water spray, and insulation to
reduce the energy input. Alternatively, you can specify an overall
credit factor.
Dynamic Run With The heat input scenario is similar to the fire exposure scenario,
Specified Heat Flux Into except:
Vessel Scenario
• You choose the energy input value
• Credit factors are not allowed
There is no cut-off time for the duration of the event. The specified
heat flux can be constant, from a constant temperature source, or a
function of time.
This scenario can be used to model:
• Full-on electrical heaters or other constant energy sources, by
selecting the Constant Duty heat input method.
• Pressure relief caused by runaway reactions, by using the
Constant Duty heat input method and specifying a value of
zero for heat duty.
• Heat input from a source such as heat exchanged by selecting
the Calculated from the Heat Source method and providing a
source temperature, a heat transfer coefficient and surface area.

33-4 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 Selecting a Pressure Relief Scenario
To specify a pressure relief scenario:
1 On the Pressure Relief Setup Scenario sheet, click one of the
four choices of pressure relief scenario.
2 From the Capacity option list, select Code or Actual.
Choose this To run the Meaning This option is useful
option simulation at for
Code (default) Code De-rates capacity Determining if a
capacity of relief device as pressure relief valve or
specified by rupture disk of a given
ASME code size is adequate for the
requirements. chosen scenario.
Actual Actual Produces best Checking whether the
capacity estimate of relief inlet or tail pipe
system effluent. sections meet the code
Does not de-rate compliant
capacity. requirements.
3 Specify the Vent Discharge Pressure. You need to specify this
for all pressure relief scenarios. If there are any tail pipe
segments after the relief device the discharge pressure refers to
the pressure at the end of piping. This is typically the
atmospheric pressure of the flare header back pressure.
4 If you selected a steady state flow scenario, enter the Estimated
Flow Rate.
5 The value you enter is used as a starting point to determine the
rated flow for the relief system or safety valve. You can enter
this flow in a mass, mole or standard liquid volume basis.
The scenario you choose on the Setup Scenario sheet determines
which of the remaining Pressure Relief forms and sheets you need
to complete to define your system. The required forms will be
displayed as incomplete in the left pane of the Data Browser.
Forms and sheets that do not apply to your chosen scenario are
inactive.
Use Next to guide you through the required forms.

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-5

 Specifying the Inlet For the steady state scenarios of relief valve or relief system rating
Stream for Steady you must provide the composition of the stream entering the relief
State Scenarios valve or system.
You can:
• Specify the composition of a stream or vessel by referencing a
stream from the flowsheet
– or –
• Specify the stream composition directly in the pressure relief
block
These specifications are entered on the Stream sheet of the
Pressure Relief Setup form
In addition to the composition, you must specify the
thermodynamic conditions of the inlet stream. This involves
specifying some combination of the three state variables:
temperature, pressure, and molar vapor fraction. These values can
either be:
• Entered directly on the Stream sheet
– or –
• Referenced from the flowsheet if you have referenced a stream
composition
Specifying the To specify the composition of a stream or vessel by referencing a
Composition by stream from the flowsheet:
Referencing From the
Flowsheet 1 Select the Stream tab from the Pressure Relief Setup form.

2 On the Stream sheet, click the Reference Stream Composition

check box.
3 In the field below the check box, select the desired stream.

33-6 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 Specify the Stream To specify the stream composition directly in the pressure relief
Composition Directly in block:
the Pressure Relief Block 1 Select the Stream tab from the Pressure Relief Setup form, to
open that sheet.
2 In the Stream Composition frame of the Stream sheet, choose a
composition basis from the Basis list.
3 Enter the component fractions in the Fraction fields next to
each component present in the stream.
Referencing an Inlet To reference an inlet stream state variable from a flowsheet stream:
Stream State Variable
1 On the Stream sheet, first ensure that you have checked the
from a Flowsheet Stream
Reference Stream Composition check box. You cannot
reference state variables from a stream if you have not also
referenced the composition.
2 In the Reference Stream frame of the Stream sheet, click the
check box indicating which stream variable you wish to
reference:
• Reference Stream Temperature
• Reference Stream Pressure
• Reference Stream Vapor Fraction
Specifying a State To specify a state variable for the inlet stream directly in the
Variable for the Inlet pressure relief block:
Stream Directly in the
Pressure Relief Block
1 On the Stream sheet, enter a value in one of the fields of the
User Flash Specifications frame:
• Temperature
• Pressure
• Vap. Fraction
2 Select the appropriate units for the entered value.
If you wish, you can reference one state variable, and enter the
other directly.

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-7

 Specifying Initial For the dynamic scenarios of fire or heat input, you must provide
Vessel Contents for the initial conditions of the vessel on the Vessel Contents sheet of
Dynamic Scenarios the Pressure Relief Setup form.

The initial conditions of the vessel can be specified in terms of:

• Composition
• Thermodynamic conditions (temperature, pressure or vapor
fraction)
• Fillage
• Pad gas component
The composition of the vessel must be specified for all pressure
relief blocks, however the remaining specification can be specified
using one of the following three combinations:
• Two of temperature, pressure, and molar vapor fraction
• Two of temperature, pressure, and fillage
• All of temperature, pressure, fillage, and pad gas component
The pressure relief model uses this information and the volume
you define on the Pressure Relief ReliefDevice form to calculate
the initial mass in the system.
Specifying Vessel The vessel composition can be provided by either:
Composition for Dynamic
• Referencing a flowsheet stream composition
Scenarios
• Specifying values directly on the Vessel Contents sheet

33-8 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 Referencing a Flowsheet To specify the composition of the vessel by referencing a stream
Stream Composition from the flowsheet:
1 Select the Vessel Contents tab from the Pressure Relief Setup
form.
2 On the Vessel Contents sheet, click the Reference Stream
Composition check box.
3 In the field below the check box, select the desired stream ID.
Specifying Values To specify the stream composition directly in the pressure relief
Directly on the Vessel block:
Contents Sheet
1 Select the Vessel Contents tab from the Pressure Relief Setup
form.
2 In the Vessel Composition frame of the Vessel Contents sheet,
choose a composition basis from the Basis list.
3 Enter the component fractions in the Fraction fields next to
each component present in the vessel.
Defining Thermodynamic To define the thermodynamic conditions, you must specify some
Conditions for Dynamic combination of the state variables temperature, pressure, or vapor
Scenarios fraction. The required combination depends on whether you
specify fillage and pad gas component.
When specifying temperature, pressure, and molar vapor fraction,
you can either:
• Enter a value directly on the Vessel Contents sheet
• Reference a flowsheet stream from which to retrieve the value
Entering a Value Directly To reference a vessel state variable from a flowsheet stream:
on the Vessel Contents
1 On the Vessel Contents sheet, first ensure that you have
sheet
checked the Reference Stream Composition check box. You
cannot reference state variables from a stream if you have not
also referenced the composition.
2 In the Reference Stream frame of the Vessel Contents sheet,
click the check box indicating which stream variable you wish
to reference:
• Reference Stream Temperature
• Reference Stream Pressure
• Reference Stream Vapor Fraction

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-9

 Referencing a Flowsheet To specify a state variable for the vessel directly on the Vessel
Stream From Which to Contents sheet:
Retrieve the Value 1 On the Vessel Contents sheet, enter a value in one of the fields
of the User Flash Specifications frame:
• Temperature
• Pressure
• Vap. Fraction
2 Select the appropriate units for the entered value.
If you wish, you can reference one state variable, and enter
another directly.
Fillage Fillage is the initial fraction of the vessel volume filled with liquid
(liquid holdup). The fillage must be greater than zero and less than
0.994.
If you specify the fillage but not a pad-gas component, the
temperature or pressure specification will be used to determine the
bubble point (vapor pressure for pure components) of the initial
mass.
To specify fillage:
• On the Vessel Contents sheet, enter a value in the Fillage field
of the Vessel Fillage frame.
Pad Gas Component Pad Gas Component represents the component being added to
bring the pressure up to the specified level. For example, nitrogen
is often used as a pad gas in hydrocarbon storage tanks.
To specify a pad gas component:
• On the Vessel Contents sheet, choose a component from the
Pad Gas Component list in the Vessel Fillage frame.

Design Rules
Use the Rules sheet of the Pressure Relief Setup form to specify
rules regarding:
• Maximum vessel pressure (dynamic scenarios only)
• Inlet pipe pressure loss
• Tail pipe pressure loss
• Valve differential set pressure
Except for the limit on maximum vessel pressure, these rules apply
only when the relief device is selected to be a PSV (safety relief
valve) or PSV in combination with a PSD (rupture disk) for gas or
two-phase service.

33-10 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 These rules have been included as an aid for good design practice.
Pressure Relief will generate warnings if any of the rules are
violated. However, any design or safety analysis decision
involving these rules should be based on your own interpretation of
the relevant codes and design practices.
Each section of the Rules sheet is summarized below. See Pres-
Relief Online Help for a detailed discussion of design rules.
The following table summarizes the application of the design rules:
Rule Application Device
Inlet pressure loss At 10% over-pressure Gas/2 phase service
PSV
Tail pressure loss At 10% over-pressure Gas/2 phase service
PSV
97% rule At or above 10% over- Gas/2 phase service
pressure PSV
Max vessel pressure Always All devices
If 10% over-pressure is not reached, the highest pressures are
scaled to 10% over-pressure. If all pressures are above 10% over-
pressure, these rules are not applied and a warning is issued.
Maximum Vessel For the dynamic scenarios of fire or heat input, you must provide
Pressure the maximum vessel pressure. This value can be expressed as an
absolute value in the User Specified field, or as a percentage of the
maximum allowable working pressure (MAWP) entered on the
Design Parameters sheet of the Pressure Relief DynamicInput
form.
When using the Percent of MAWP specification, MAWP is
converted to gauge pressure before Aspen Plus applies the
percentage entered.
Inlet Pipe Pressure Loss Use this field to enter the maximum inlet piping pressure loss as a
percentage of differential set pressure. This is calculated at 10%
over-pressure or maximum pressure if 10% over-pressure is not
reached. Aspen Plus generates a warning if the total pressure loss
in the inlet piping is greater than or equal to the specified
percentage of differential set pressure. The specified value is
usually 3 (the default), and this rule is often called the "3% rule."
Tail Pipe Pressure Loss Use this frame for specifying the method for setting the allowable
tail pipe pressure loss. You can do one of the following:
• Use the 97% Rule
• Enter the maximum loss expressed as a percentage of
differential set pressure (known as the X% Rule)
• Specify that Pressure Relief not model tail pipe pressure loss

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-11

 When the 97% rule is used, Aspen Plus generates a warning if the
valve pressure drop is less than 97% of the valve’s differential set
pressure. When the X% rule is used, Aspen Plus generates a
warning if the pressure loss after the valve is equal to or greater
than X% of the valve differential set pressure.
The following tables suggests which rule should be used for the
most common types of safety valves:
Valve Type Suggested Tail Piping Rule
Standard spring loaded 97% Rule or X% with X=10
Pop action pilot with unbalanced pilot 97% Rule or X% with X=10
vented to discharge
Balanced bellows spring loaded X% with X=30
Modulating pilot with balanced pilots or X% with X=40
pilots vented to atmosphere
Valve Differential Set You can specify whether the differential set pressure (DSP),
Pressure changes when back pressure changes (that is, whether the valve is
balanced or vented).
The following tables indicates whether the DSP changes for the
most common types of safety valves:
Valve Type Does DSP change?
Standard spring loaded Yes
Pop action pilot with unbalanced pilot vented Yes
to discharge
Balanced bellows spring loaded No
Modulating pilot with balanced pilots or pilots No
vented to atmosphere

Specifying the Venting System

A Pressure Relief venting system can consist of the following
components:
• A vessel neck (nozzle)
• Up to two lengths (segments) of inlet pipe connecting the
vessel neck to the pressure relief device
• The pressure relief device (safety valve, rupture disk, relief
vent, or combination rupture disk and safety valve)
• Up to two lengths (segments) of tail pipe from the relief device
to the atmosphere or to another piece of equipment
You do not have to include all these components in a Pressure
Relief calculation. But the block must include at least a pipe
section or a relief device.

33-12 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 Use the Configuration sheet on the ReliefDevice form to specify:
• Relief device type, including service for safety relief valves
• Number of inlet and tail pipe sections
• Whether the vessel neck is to be specified
• Whether the vessel neck and piping should be ignored during
dynamic runs
If you choose Open Vent Pipe as the device, then:
• No relief device is allowed
• You must specify a vessel neck, inlet pipe, or tail pipe
For the Steady State Flow Rating of Relief Valve scenario, the
venting system consists only of a safety valve. No piping is
allowed.
Specifying the Relief The following types of relief devices are available:
Device • Safety relief valve (both liquid and gas/2-phase)
• Rupture disk
• Emergency relief vent
• Open vent pipe (pipe section or vessel neck)
• Relief valve / Rupture disk combination
On the Configuration Sheet of the ReliefDevice form, choose the
type of relief device you wish to simulate by clicking on one of the
options above. The default relief device is a safety relief valve.
Depending on the type of relief device you choose on the
Configuration sheet of the ReliefDevice form, one or more
additional sheets (tabs) on the ReliefDevice form may become
active for further specification of the device. For example, if you
select Rupture disk as your relief device on the Configuration
sheet, the Rupture Disk tab will become active and display an
incomplete symbol indicating that further specifications are
required on this sheet.
Built-in tables within Aspen Plus contain:
• Several standard commercially available valves, rupture disks,
and emergency relief vents
• All the mechanical specifications and certified coefficients
needed in the relief calculations
You can customize Aspen Plus by modifying or adding tables of
valve, disk, and vent characteristics. For more information, see the
Aspen Plus System Management manual.

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-13

 You can do one of the following:
• Choose a device from the tables
• Enter your own specifications and coefficients
For liquid service valves, you can specify the full-lift over-pressure
factor. This allows you to simulate some of the older-style valves,
which do not achieve full lift until 25% over-pressure is reached.
Safety Valve If you select Safety Relief Valve or Relief Valve / Rupture Disk
Combination as the type of relief device, you must complete the
Safety Valve sheet to specify the safety relief valve (PSV) to be
used in the simulation. Define the valve in the Manufacturer’s
Tables frame. Once the Type, Manufacturer, Series, and Nominal
Diameter have been selected, a unique valve is described and
Aspen Plus fills in the following data in the Valve Parameters
frame:
• Inlet Diameter
• Throat Diameter
• Outlet Diameter
• Discharge Coefficient
If you want to use a valve not listed in the Manufacturer’s Tables,
you must type in values for the Valve Parameters listed above.
Note that if you select a valve from the tables and then overwrite
any of the Valve Parameters, all Manufacturer’s Tables fields will
be blanked out.
To complete the form, enter the differential setpoint for the valve.
This represents the pressure difference across the valve which is
needed for the valve to start opening.
Rupture Disk If you select Rupture Disk or Relief Valve / Rupture Disk
Combination as the type of relief device, you must complete the
Rupture Disk sheet to specify the rupture disk (PSD) to be used in
the simulation. Define the rupture disk in the Manufacturer’s
Tables frame. Once the Manufacturer, Style, and Nominal
Diameter have been selected, a unique PSD is described and
Aspen Plus fills in the following data in the Rupture Disk
Parameters frame:
• Diameter
• Discharge Coefficient
If you want to use a PSD not listed in the Manufacturer’s Tables,
you must type in values for the parameters listed above. Note that
if you select a rupture disk from the tables and then overwrite any
of the rupture disk parameters, all Manufacturer’s Tables fields will
be blanked out.

33-14 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 To complete the form, enter the differential setpoint for the rupture
disk. This represents the pressure difference across the rupture disk
which is needed for the disk to break.
In an actual capacity run, the rupture disk is modeled as a pipe with
an equivalent length to diameter (L/D) ratio. If no test data is
available, use L/D=8 for disk diameters larger than 2 inches (5.08
cm), and 15 for diameters 2 inches and smaller. In a code capacity
run, the rupture disk is modeled as an ideal nozzle with the
appropriate discharge coefficient. For uncertified rupture disks, use
a discharge coefficient of 0.62.
Relief Vent If you select Emergency Relief Vent as the type of relief device,
you must complete the Relief Vent sheet to specify the emergency
relief vent (ERV) to be used in the simulation. Define the relief
vent in the Manufacturer’s Tables frame. Once the Manufacturer,
Style, and Nominal Diameter have been selected, a unique ERV is
described and Aspen Plus fills in the following data in:
• Recommended Setpoint
• Diameter
To complete the form, enter the differential setpoint for the relief
vent. This represents the pressure difference across the vent which
is needed for the vent to begin opening.
If you want to use an ERV not listed in the Manufacturer’s Tables,
you must type in values for the diameter and differential setpoint in
the Vent Parameters frame. Note that if you select an ERV from
the tables and then overwrite any of the vent parameters, all
Manufacturer’s Tables fields will be blanked out.
ERVs are modeled so that they open gradually to a fully open
position calculated using the vent over-pressure factor.
Specifying the Vessel The vessel neck is a piece of pipe which connects the vessel to the
Neck first length of inlet pipe or to the relief device if there are no inlet
pipes. If you choose to specify a vessel neck, enter the associated
information on the Vessel Neck sheet of the ReliefDevice form.
The following data are required to describe the vessel neck:
• Length
• Diameter

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-15

 Optional specifications on the Vessel Neck sheet are shown below
with their corresponding defaults:
Specification Default
Orientation Vertical
Connection Type Rounded
Reducer resistance coefficient (Reducer K) 0.04
Expander resistance coefficient (Expander K) 0.04
Roughness 0.00015 ft
Specifying the Inlet For inlet pipe sections, use the Pressure Relief InletPipes form to
Pipe describe the inlet pipes which connect the vessel neck to the relief
device. Up to two sections of pipe with the same or different
diameters may be used.
The InletPipes form contains four sheets:
Use this sheet To
Pipe Specify the pipe dimensions and optional pipe
parameters
Fittings Describe the fittings in the pipe section such as pipe
connections, butterfly or gate valves, elbows, and tees
Valves Describe a general purpose valve or control valve in
the pipe section
Thermal Specify heat transfer parameters for energy transfer
with surroundings
The Pipe sheet is required for all sections of inlet pipe.
Pipe Use the Pipe sheet to enter the pipe diameter and length for each
pipe section. Pipe diameter and length are required specifications
for all pipe sections.
Included with Aspen Plus are built-in Pipe Schedule Tables that
aid in the specification of common pipe sizes.
You can customize Aspen Plus by adding or modifying pipe
schedule tables. For more information on this, see the Aspen Plus
System Management manual.
Choosing a Pipe To choose a pipe diameter from the built-in Pipe Schedule Tables:
Diameter
1 At the top of the Pipe sheet, select a pipe section from the Pipe
Section field.
2 In the Pipe Schedule frame, choose a material of construction
for the pipe section, from the Material list. Available materials
include carbon steel and stainless steel.
3 Choose a pipe schedule in the Schedule field.
4 Choose a nominal pipe diameter from the Nominal Diameter
field.

33-16 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 A unique pipe is described and the Inner Diameter is displayed in
the Pipe Parameters frame.
If you want to use a pipe not listed in Pipe Schedule Tables, you
must manually enter the pipe inner diameter in the Inner Diameter
field of the Pipe Parameters frame. Note that if you select a pipe
from the tables and then overwrite the inner diameter, all Pipe
Schedule Tables fields will be blanked out.
Optional Inputs on the Optional inputs on the Pipe sheet include:
Pipe Sheet
• Absolute pipe roughness
• Pipe Rise (elevation change)
• Resistance coefficient ("K" factor) of reducer following the
pipe section
• Resistance coefficient ("K" factor) of expander following the
pipe section
If you do not enter values for these optional inputs, the following
default values are used.
Specification Default
Roughness 0.00015 ft
Pipe Rise 0
Reducer K 0.04
Expander K 0.04
Fittings Use the Fittings sheet to describe any fittings contained in the an
inlet pipe section. Any number of the following fitting types may
be specified:
• Gate Valves
• Butterfly Valves
• 90 degree Elbows
• Straight Tees
• Branched Tees
In addition a miscellaneous flow resistance may be specified by
entering in the number of pipe diameters equivalent to the
resistance.
Valves Use the Valves sheet to specify a general purpose valve to be used
in a pipe section. In the top section of the sheet, select a valve from
the Manufacturer’s Tables frame. Once the Manufacturer, Style,
and Nominal Diameter have been selected, a unique valve is
described and Aspen Plus fills in the following data in the Valve
Parameters frame:
• Flow Area
• Flow Coefficient

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-17

 If you want to use a valve not listed in the Manufacturer’s Tables,
you must type in values for the parameters listed above. Note that
if you select a valve from the tables and then overwrite any of the
valve parameters, all Manufacturer’s Tables fields will be blanked
out.
You may also specify the valve constant for a control valve
contained in the pipe section. To do this, enter a value in the Valve
Constant field of the Control Valve frame.
Thermal Use the Thermal sheet to specify energy balance parameters if you
want to model heat transfer between the pipe section and the
surroundings. The following must be specified:
• Inlet Ambient Temperature
• Outlet Ambient Temperature
• U-value (overall heat transfer coefficient)
Specifying the Tail For tail pipe sections, use the Pressure Relief TailPipes form to
Pipe describe the tail pipes which connect the relief device to the
discharge point. Up to two sections of pipe with the same or
different diameters may be used. The TailPipes form has the same
functionality as the InletPipes form, except that it applies to tail
pipe sections.

Specifying Dynamic Input

Use the DynamicInput form to describe the emergency event
associated with a dynamic scenario. Required data include a
description of the vessel as well as the event (fire or heat input)
which is causing the release from the vessel.
The sheets contained on the DynamicInput form are listed below:
Use this sheet To specify
Vessel Vessel and vessel head geometry
Design Parameters Vessel design pressure and disengagement model
Fire Type of fire exposure engulfing the vessel
Fire Credits Credits you can claim if systems to fight fire or
minimize vessel releases are present
Heat Input The rate of heat input into a vessel
The Vessel and Design Parameters sheets must be completed for
all dynamic scenarios. For heat input scenarios, the Heat Input
sheet is also required. For fire scenarios, the Fire sheet is required,
and the Fire Credits sheet is optional.

33-18 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 Vessel Use this sheet to describe the vessel undergoing the emergency
event by specifying:
• Vessel type and head type
• Shell orientation if the vessel type is Heat Exchanger Shell
• Vessel length and diameter
• Vessel jacket volume if vessel type is Vessel Jacket
• Vessel volume if vessel is User Specified
• Head volume and head area if head type is User Specified
The following vessel types are available:
• Horizontal
• Vertical
• API Tank
• Sphere
• Heat Exchanger Shell
• Vessel Jacket
• User Specified
Completing Vessel To complete vessel specifications:
Specifications
1 On the Pressure Relief DynamicInput Vessel sheet, choose a
vessel type from the Vessel Type list in the Vessel Description
frame.
2 For vessel types of Horizontal, Vertical, API Tank, or Heat
Exchanger Shell, select a head type in the Head Type list, and
enter the length and diameter in the Vessel Dimensions frame.
Available options for head type are Flanged, Ellipsoidal, or
User Specified.
3 For Heat Exchanger Shell vessel types, enter the shell
orientation (horizontal or vertical) in the Shell Orientation list.
4 For Sphere vessel types, enter the sphere diameter in the
Diameter field of the Vessel Dimensions frame.
5 For Vessel Jacket vessel types, enter the jacket volume in the
Vessel Dimension frame.
6 For User Specified vessel types, enter the vessel volume and
head volume in the User Specifications frame.
7 If you choose a User Specified head type, enter the head
volume and head area in the User Specifications frame.

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-19

 Design Parameters Use the Design Parameters sheet to describe vessel design
characteristics by specifying:
• Maximum allowable working pressure (MAWP)
• Temperature corresponding to the MAWP
• Vessel disengagement model
• Homogeneous vapor fraction limit for user specified
disengagement model
• Volume of vessel internals
Vessel disengagement models let you select how the phase
behavior of fluid leaving the vessel will be modeled. The following
disengagement options are available:
Option Description
Homogeneous Vapor fraction leaving vessel is the same as vapor
fraction in vessel
All vapor All vapor leaving vessel
All liquid All liquid leaving vessel
Bubbly DIERS bubbly model
Churn-turbulent DIERS churn-turbulent model
User specified Homogeneous venting until vessel vapor fraction
reaches the user-specified value, then all vapor
venting

To specify design parameters for your dynamic pressure relief

scenario:
Specifying Design
Parameters 1 On the Pressure Relief DynamicInput Design Parameters sheet,
first enter the Maximum Allowable Working Pressure in the
Vessel Design Pressure frame.
2 In the MAWP Temperature field, enter the temperature
corresponding to the specified maximum allowable working
pressure.
3 In the Vessel Disengagement frame, select a disengagement
model from the Disengagement Model list.
4 Enter any vessel disengagement parameters corresponding to
the selected disengagement model:
If you choose Enter
Bubbly Bubbly disengagement coefficient (default is 1.01)
Churn-turbulent Churn-Turbulent disengagement coefficient (default
is 1)
User-specified Homogeneous vapor fraction limit (no default)
Optionally, at the bottom of the sheet, you can enter the
Volume of Vessel Internals in the Vessel Dead Volume frame.

33-20 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 This represents the volume of internal structures such as mixers
and baffles that will be subtracted from the calculated vessel
volume.
Fire Use this sheet to characterize the fire engulfing the vessel. A Fire
Standard must be selected so that Aspen Plus can calculate the
vessel wetted area, energy input, and how the credit factor (Fire
Credits sheet) is taken. Pressure Relief can base its calculations on
any of the following standards:
• NFPA 30
• API 520
• API 2000
Choose the desired standard from the Fire Standard list in the Fire
Scenario Parameters frame.
Optional specifications on the Fire sheet include:
• Fire duration
• Area of vessel surrounded by fire (relevant when Vessel Jacket
or User Specified is selected for vessel type on the Vessel
sheet)
• Liquid level in the vessel at the start of the fire (for NFPA-30
fire standard with Vessel Types of Horizontal, Vertical, API-
Tank, or Heat Exchanger Shell)
• Vessel elevation
• Extra heat transfer area
• Whether vessel is portable
Fire Credits Pressure Relief assumes the calculated energy input is constant
during the entire venting transient. If appropriate, you can use the
Fire Credits sheet to specify a fire credit factor which Aspen Plus
uses to reduce the energy input into the vessel. You may specify a
credit factor directly or allow Aspen Plus to calculate the credit
factor based on the presence of the following systems:
• Water spray equipment
• Drainage system
• Vessel insulation
• Both drainage and fire fighting equipment
Credit for Drainage and Fire Fighting Equipment is not allowed
unless Fire Standard (Fire sheet) is API-520.
Insulation Protection Factor is not allowed when vessel is portable
(Fire sheet), Fire Standard (Fire sheet) is NFPA-30, or Credit for
insulated vessel (Fire Credits sheet) is not claimed.

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-21

 Heat Input Use this sheet to specify the rate of heat input into the vessel, for
dynamic heat input scenarios. The method of heat input can be
specified in three ways by selecting one of the following options in
the Heat Input Method frame on the Heat Input sheet.
• Constant duty
• Calculated from heat source
• Time-varying duty profile
If a constant duty is chosen, simply enter the constant duty in the
Heat Input Method frame.
If you choose to calculate the duty from a heat source, you must
specify the temperature, heat transfer area, and heat transfer
coefficient (U-value) in the Heat Source frame.
If you choose to enter a time-varying duty profile, use the Duty
Profile frame to enter values of duty versus time.
Specifying Reactive For the dynamic scenarios of fire or heat input, you can model a
Systems for Dynamic protected vessel with reactions if the Vessel Type (DynamicInput
Scenarios Vessel sheet) is one of the following:
• Vertical
• Horizontal
• API-Tank
• Sphere
• User-specified
In the Reaction sheet of the Setup folder, specify which reactions
occur within the vessel. If there are any kinetic or equilibrium
(other than electrolytic) type reactions, you must create a Reaction
ID through the Reactions folder of the Data Browser. Electrolytic
reactions specified through the Chemistry folder are automatically
included in the pressure relief calculations and need not be
specified in the Reactions sheet.
To specify reactions to be used in a pressure relief calculation:
1 Make sure to select one of the dynamic scenarios (fire or heat
input) on the Setup Scenario sheet.
2 From the Pressure Relief Setup form, click the Reactions tab.
3 On the Reactions sheet, click the Include Chemical Reactions
in Vessel check box.
4 In the Vessel Reactions frame, select the desired reaction ID
from the Available list, and move them to the Selected list
using the right arrow button. To remove reactions from the
Selected list, select them and click the left arrow button. Use
the double arrow buttons to move all reactions in a selected list.

33-22 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 When simulating the dynamic scenarios of fire or heat input, you
Specifying When to
must use the Pressure Relief Operations form to describe the
Stop Dynamic
criteria that Aspen Plus will use to terminate the dynamic
Calculations
simulation.
On the Stop Criteria sheet of the Operations form, define one or
more stop criteria. You must define at least one stop criterion for
the form to be complete. If you define more than one stop criteria,
the criterion reached first will end the simulation.
You may select from the following variable types when defining a
stop criterion:
• Simulation time
• Vapor fraction in the vessel
• Mole fraction of a specified component
• Mass fraction of a specified component
• Conversion of a specified component
• Total moles or moles of a specified component
• Total mass or mass of a specified component
• Vessel temperature
• Vessel pressure
• Vent mole flow rate or mole flow rate of a component
• Vent mass flow rate or mass flow rate of a component
You must:
• Select a specification type
• Enter a value for the specification at which the simulation will
stop
• Select a component and substream for component-related
specification types
• Specify which approach direction (above or below) to use in
stopping the simulation.
How to Specify When to 1 To specify when to stop calculations for dynamic pressure
Stop Calculations for relief scenarios:
Dynamic Pressure Relief 2 Open the Pressure Relief Operations form.
Scenarios
3 On the Stop Criteria sheet, enter 1 in the Criterion No. field if
this is the first stop criterion. When entering multiple stop
criteria, number them sequentially, starting with 1.
4 From the Location list, choose a location (Vessel, Vent, or
Vent Accumulator) for calculating the variable that will be
defined as the stop criterion.
5 In the Variable Type list, choose a stop criterion variable type
from the list shown above.

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-23

 6 In the Stop Value field, enter the value of the variable at which
to stop the simulation.
7 For component-related specification types, select a component
and a substream from the Component ID list and the Substream
ID list respectively.
8 In the Approach From list, specify which approach direction
(above or below) to use in stopping the simulation.
9 Repeat steps 2 through 7 for each additional stop criterion.
10 When finished defining all stop criteria, click the Times tab.
11 On the Times sheet, specify an upper limit for the time of the
scenario to be simulated, in the Maximum Time field.
12 In the Time Intervals Between Result Points frame, enter the
time interval to report result for the scenario. Enter this value in
the When Vent is Closed field. Aspen Plus will report result
profiles in the time interval you specify. If you wish to use a
different interval when the vent is open, enter this value in the
When Vent is Open field. If you do not enter a value for When
Vent is Open, the interval specified for When Vent is Closed
will be used throughout the entire scenario.
13 In the Optional frame at the bottom of the sheet, you can
request to include profile points when the relief system opens
or closes. This option is checked by default. Click this option
to deselect it.
14 Also in the Optional frame, you can limit the maximum
number of result points in the profile by entering a value in the
Maximum No. of Result Points field. The default for this value
is the specified maximum time divided by the report time
interval for results you have specified for When Vent is
Closed.
If you have specified a results time interval for When Vent is
Open that is smaller than When Vent is Closed, you should
increase the default value for Maximum No. of Results Points.

Examining Results of Pressure Relief

Calculations
To examine results of pressure relief calculations:
1 From the Data menu, point to Flowsheeting Options, then
Pressure Relief.
2 On the Pressure Relief Object Manager, select the Pressure
Relief ID of interest, and click Edit.

33-24 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 3 In the left pane of the Data Browser, click the appropriate
results form for the selected Pressure Relief block.
For steady-state scenarios click the SteadyStateResults form.
For dynamic scenarios, click the DynamicResults form.
Steady-State Results Use the SteadyStateResults form to view calculated results for
steady state simulations.
The SteadyStateResults form is comprised of two sheets:
Use this sheet To view
Summary Input summary, whether code requirements are met,
and inlet and tail pipe pressure changes
Property Profiles Property profiles for points along the relief system
Summary Use this sheet to view:
• Input summary (Scenario, Relief Device type, and Capacity
option)
• Whether code requirements are met
• Actual flow rate through the emergency relief system as
calculated by Aspen Plus
• Estimated flow rate you provided on the Setup Scenario sheet.
• Actual and allowed pressure loss through the vessel neck and
inlet pipes
• Actual and allowed backpressure in the tail pipes
If code requirements are not met, you should review the status
messages. Your system may not meet code requirements because:
• Inlet pipe pressure loss is too high
• Tail pipe pressure loss is too high
• The 97% rule has been violated
• Choke point(s) do not occur at the relief device
For inlet piping, the actual (calculated) loss is the pressure loss
through the vessel neck and the inlet pipes computed at 10%
overpressure. If this field is blank, it means that the source pressure
was greater than 10% overpressure. The allowed pressure loss is
the value calculated from the allowed inlet pipe pressure loss as a
percentage of differential set pressure as specified on the Setup
Rules sheet
For outlet piping, the actual (calculated) backpressure is computed
at 10% overpressure. If this field is blank, it means that the
pressure was greater than 10% overpressure or the 97% rule was
used instead. The allowed pressure loss is the value computed from
the maximum allowed percentage specified on the Setup Rules
sheet.

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-25

 Property Profiles Use this sheet to view property profiles for points along the
emergency relief system. The following properties are shown:
• Status (e.g., OK, or Choked)
• Pressure
• Temperature
• Vapor Fraction
Dynamic Results Use the DynamicResults form to view calculated results for
dynamic simulations. The DynamicResults form is comprised of
seven sheets:
Use this sheet To view
Summary Input summary, whether code requirements are met, and
inlet and tail pipe pressure changes
Parameters Summary of dynamic results and vessel pressures and
temperatures
Vessel Vessel properties versus operation time
Vent Property profiles for points along the relief system
versus operation time
Accumulator Accumulator properties versus operation time
X-Y-Z Vessel, vent, and accumulator mole fractions versus
operation time
Vessel Mass Component mass amounts in vessel per substream
versus operation time
Summary Use this sheet to view:
• Input summary (Scenario, Relief Device type, and Capacity
option)
• Whether code requirements are met
• Initial, final, maximum and allowed vessel pressures
• Initial, final, maximum and allowed vessel temperatures
• Actual and allowed pressure loss through the vessel neck and
inlet pipes
• Actual and allowed backpressure in the tail pipes
If requirements are not met, you should review the status
messages. If your simulation fails to meet code requirements,
possible causes are:
• Inlet pipe pressure loss at 10% over-pressure is too high
• Tail pipe pressure loss at 10% over-pressure is too high
• The 97% rule has been violated
• Choke point(s) do not occur at the relief device
• Vessel pressure goes above the maximum allowed

33-26 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 For inlet piping, the actual (calculated) loss is the pressure loss
through the vessel neck and the inlet pipes computed at 10%
overpressure. If this field is blank, it means that the source pressure
was greater than 10% overpressure. The allowed pressure loss is
the value calculated from the allowed inlet pipe pressure loss as a
percentage of differential set pressure as specified on the Setup
Rules sheet
For outlet piping, the actual (calculated) backpressure is computed
at 10% overpressure. If this field is blank, it means that the
pressure was greater than 10% overpressure or the 97% rule was
used instead. The allowed pressure loss is the value computed from
the maximum allowed percentage specified on the Setup Rules
sheet
Parameters Use this sheet to view:
• Operation time (the time for which the simulation ran)
• Calculated vessel volume
• Calculated vessel wetted area
• Fire heat input, based upon the wetted area and fire credit
factors
• Fire credit factor
• Vent maximum flow (the maximum flow rate through the
emergency relief system calculated during the simulation)
Allowed vessel conditions are based upon your input for vessel
maximum pressure on the Setup Rules sheet.
Vessel This results sheet displays a table of vessel properties versus
operation time. The following vessel properties are shown:
• Status
• Vent flow
• Pressure
• Temperature
• Vapor fraction
• Total mass

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-27

 The status column indicates where the choke is, if not at the
device. Listed below is an explanation of the possible status
symbols:
Status Meaning
CL Vent closed
OK Acceptable choke location and pressure
N Choke at vessel neck
VF Choke at valve flange
I1 Choke at Inlet Pipe 1
I2 Choke at Inlet Pipe 2
T1 Choke at Tail Pipe 1
T2 Choke at Tail Pipe 2
SH Large static head
XT Excess tail pressure
Vent This sheet lets you view profiles for points along the relief system
versus operation time for the following properties:
• Temperature
• Pressure
• Vapor fraction
• Mass density
Accumulator The Accumulator sheet lets you view accumulator properties
versus operation time. The following accumulator properties are
shown:
• Pressure
• Temperature
• Vapor fraction
• Total mass in the accumulator
X-Y-Z The X-Y-Z sheet lets you view component mole fractions versus
operation time for the following phases and locations:
• Overall contents of the vessel (Vessel Total)
• Vapor phase of vessel (Vessel Vapor)
• Overall contents of the relief system (Vent Total)
• Overall contents of the accumulator (Accumulator Total)
• Liquid phase of vessel (Vessel Liquid)
Vessel Mass The Vessel sheet lets you view the component mass amounts in the
vessel versus operation time for the substream you select.

33-28 • Pressure Relief Calculations Aspen Plus 11.1 User Guide

 Example of Dynamic Run This example shows the results after a dynamic run of a pressure
of a Pressure Relief relief system. The first screen shows the DynamicResults with the
System Summary sheet displayed:

This plot shows vessel pressure and temperature over time:

Aspen Plus 11.1 User Guide Pressure Relief Calculations • 33-29

33-30 • Pressure Relief Calculations Aspen Plus 11.1 User Guide
 C H A P T E R 34

Inserts

Overview
An insert is a partial backup file that you can import into a run at
any time. Aspen Plus provides special data packages as inserts
which can be used as starting points for building new simulations,
or they can be imported into existing simulations. You can create
your own inserts for later use.
For help on inserts, see one of the following topics:
• What is an insert?
• Creating an insert
• Importing inserts
• Creating a property package
• Resolving ID conflicts
• Using electrolyte inserts from the Aspen Plus insert library
• Hiding objects

What is an Insert?
An insert is a partial backup file that you can import into a run at
any time. You can use an insert to create a:
• Property package, consisting of component and property
definitions
• Standard process unit, such as a crude column and its preheat
train
You can create your own inserts, or you can import inserts from
the Aspen Plus library of inserts. For more information, see Using
Electrolyte Inserts From the Aspen Plus Insert Library.

Aspen Plus 11.1 User Guide Inserts • 34-1

 Creating an Insert To create an insert, you need to save a backup file containing the
information you want in your insert:
1 Begin with a run that has all of the input for the insert defined.
(The run does not have to be complete.) This can consist of any
possible simulation input such as components, properties,
streams, blocks, flowsheeting options, model analysis tools,
etc.
2 From the File menu, click Export.
3 In the Save As Type box, select Aspen Plus Backup Files
(*.bkp).
4 Enter a path and a filename for the backup file that you want to
contain the insert.
5 Click Save.
You can import the backup file you created into any run.
Importing Inserts To import an insert into an existing Aspen Plus simulation:
1 With the existing simulation active in the Aspen Plus main
window, from the File menu, click Import.
2 In the Save As Type box, select Aspen Plus Backup Files
(*.bkp).
3 On the Import dialog box, locate the insert, select it, and click
Open.
4 If the Resolve ID Conflicts dialog box appears, see Resolving
ID Conflicts.
After importing the insert into your existing run, your
simulation will contain the input from both files.

34-2 • Inserts Aspen Plus 11.1 User Guide

 Resolving ID When you import one file into another, some imported objects may
Conflicts have the same IDs as objects in the existing run. When this
happens, Aspen Plus displays the Resolve ID Conflicts dialog box,
which lists all objects that have matching IDs in the two files.

Use the Resolve ID Conflicts dialog box to resolve ID conflicts by

one of the following methods:
Method Procedure
Replace existing objects 1. Select one or more objects.
2. Click Replace.
Aspen Plus deletes the objects in the current run and replaces them with
the objects being imported.
Merge new objects with 1. Select one or more objects.
existing objects 2. Click Merge.
Aspen Plus merges specifications for inserted objects with those of
objects in the current run. If both objects have values for the same
specification, the inserted object overrides the object in the current run.
Edit IDs directly 1. Select one object at a time.
2. Click Edit ID.
3. In the Object Name dialog box, specify a new ID for the object.
Add a prefix or suffix to the 1. Select one or more objects.
existing IDs 2. Click Add Prefix or Add Suffix.
3. In the Prefix (or Suffix) dialog box, enter characters to be added to the
IDs in the existing run.
Ignore imported objects 1. Select one or more objects.
2. Click Ignore.
Aspen Plus ignores the selected objects from the imported run, leaving
those objects in the existing run unchanged.
When finished resolving each ID conflict, click OK.

Aspen Plus 11.1 User Guide Inserts • 34-3

 Merged objects must be of the same type. For example, you can
merge two RadFrac blocks, but not a RadFrac block with a Flash2
block.
Example of Importing an Simulate a distillation column with two different feeds in the same
Insert and Resolving ID run. The distillation column specifications are identical.
Conflicts
1 Create the flowsheet for the first feed and complete all
specifications for the problem.
2 From the File menu, click Save As.
3 In the Save As Type box, specify Aspen Plus Backup Files
(*.bkp). Specify a name for the file in the File Name box.
Click OK.
4 From the File menu, click Import.
5 In the Files of Type box, select Aspen Plus Backup Files
(*.bkp). Locate and select the file you just saved. Click OK.
6 In the Resolve ID conflicts dialog box, select the block and
streams. Hold down the Ctrl key while clicking on each item.
Then click Add Suffix.
7 In the Suffix dialog box, enter -2, and click OK.
8 The Resolve ID Conflicts dialog box now shows the new IDs
for the inserted objects.
9 Select all the remaining objects in the Resolve ID Conflicts
dialog box and click Ignore.
10 In the Resolve ID Conflicts dialog box, click OK.
Aspen Plus adds the new block, and streams to the flowsheet.
Example of Copying a This example assumes that two runs have identical Sep2
Block from One Run to component splitters. The block ID and the inlet and outlet stream
Another IDs for Sep2 are the same in both runs. Replace Sep2 with an
identical RadFrac rigorous distillation model in both runs.
1 Replace Sep2 with RadFrac in the first run, and complete the
specifications.
2 From the File menu, click Save As and save the file as an
Aspen Plus Backup File (*.bkp).
3 Open the second run.
4 From the File menu, click Import. Select the file you saved in
step 2 and click OK.
5 In the Resolve ID Conflicts dialog box, select the RadFrac
block and all the streams listed. Click on the Replace button.
6 Select all the remaining objects in the Resolve ID Conflicts
dialog box and click Ignore.
7 In the Resolve ID Conflicts dialog box, click OK.

34-4 • Inserts Aspen Plus 11.1 User Guide

 The new RadFrac block, with all of its specifications, now
replaces the Sep2 block in the flowsheet.

Creating a Property Package

To create a property package:
1 Begin with a run that has all of the input for the property
package defined, including all components and properties
specifications. (The run does not have to be complete.)
Typically this would include:
• Components specifications
• Henry-Comps specifications, if defined
• Chemistry specifications, if defined
• Properties specifications
• Property method definitions other than built-in property
methods
• Any Properties Parameters objects with data specified
• Any units sets, other than SI, MET, or ENG, used by any of
the forms in the property package
• Any property sets you want to include
2 From the File menu, click Export.
3 In the Export dialog box, enter a path and a filename for the
backup file that you want to contain the property package.
4 Click Save.
You can import the backup file you created into any run.
Suppose you develop a property package for ethanol-water using
the NRTL property method. Specify the following information in
Aspen Plus, and save the specifications as a backup file:
• Components Specifications Selection sheet
• Properties Specifications Global sheet
• Properties Parameters Binary Interaction NRTL-1 form

Using Electrolyte Inserts From the

Aspen Plus Insert Library
To use an insert from the Aspen Plus library:
1 From the File menu, click Import.
2 On the Import dialog box, click the Favorites button on the
toolbar.

Aspen Plus 11.1 User Guide Inserts • 34-5

 3 In the Favorites folder, double-click the Elecins folder.
4 Select an insert from the list and click Open.

Tip: To see a description on the insert, use the Preview button on

the Import dialog box toolbar.

5 If the Resolve ID Conflicts dialog box appears, see Resolving

ID Conflicts.

Tip: To view in detail the contents of an insert before using it,

follow the procedure above, except open the insert using File
Open, instead of File Import. Then use the Data Browser to see
what input is defined in the insert and to look at the insert contents.

Hiding Objects
You can use the Hide feature to temporarily remove optional
objects from a simulation, without deleting them. For example, you
can hide a design specification when you don’t want it to be
applied to the simulation.
You cannot hide:
• Global specifications, such as the Setup Specifications and
Properties Specifications forms
• Components
• Blocks and streams
• Properties Parameters and Molecular Structure objects
To hide objects:
1 Display the Object Manager for the type of object you want to
hide.
2 Select one or more objects you want to hide. If the Hide button
is dim, you cannot hide this type of object.
3 Click the Hide button.
Aspen Plus removes the selected objects from the Object
Manager list. They are no longer part of the problem definition.
Revealing Objects To reveal (unhide) objects:
1 Open the Object Manager for the type of object you want to
reveal.
2 Click the Reveal button.

Note: The Reveal button will only be active if there are hidden
objects.

34-6 • Inserts Aspen Plus 11.1 User Guide

 3 On the Reveal dialog box, select the hidden objects you want to
reveal, and click OK.
If there are no ID conflicts, Aspen Plus restores the objects to
the problem definition, and they are displayed on the Object
Manager.
If the specifications for a hidden object are inconsistent with
the current problem definition (for example, if a referenced
stream no longer exists), the object will be incomplete. Use
Next to find out what you must do to complete the input.
If there are ID conflicts (if a hidden object has the same ID as
an object in the current problem definition), the Resolve ID
Conflicts dialog box appears.

Tip: Use the Remove button on the Reveal dialog box to

permanently delete hidden objects from the simulation.

Aspen Plus 11.1 User Guide Inserts • 34-7

34-8 • Inserts Aspen Plus 11.1 User Guide
 C H A P T E R 35

Creating Stream Libraries

Overview
This topic describes how to create stream libraries. For information
on how to retrieve information from a stream library for use in a
simulation, see About Stream Libraries in chapter 9.
For help on creating stream libraries, see one of the following
topics:
• Creating or modifying a stream library
• STRLIB command summary
You can retrieve information about stream composition and
conditions from a stream library, instead of entering this data on
stream forms.
This table shows what you can do with the stream library
capability:
To Do This
Create a library of Store the composition and conditions of frequently used feed streams in a stream
frequently used feed library. Retrieve this information from different models in a simulation without
streams re-entering it.
Transfer stream Simulate one section of your flowsheet, store the outlet streams in a library, and
information from one retrieve the information in another simulation. Or use a stream library to share
simulation to another information between two groups that are simulating different sections of a
process.
Initialize tear streams Store final tear stream values from a simulation in a library. When you simulate
another case, retrieve the desired values as an initial guess for the tear stream. If
you do not know which stream will be chosen as the tear stream, store all the
streams from the first simulation and retrieve all the streams in the new run.
Isolate a block from a Store streams for a large flowsheet in a library. Retrieve and analyze one block
large flowsheet from the stored flowsheet and simulate the block by itself, perhaps with higher
diagnostics or at different conditions. This eliminates re-entering the stream
information for the isolated block run.

Aspen Plus 11.1 User Guide Creating Stream Libraries • 35-1

 Creating or Modifying a Stream
Library
You can:
• Create your own stream library
• Use a stream library created and maintained by your
Aspen Plus system administrator
To create or modify a stream library, use STRLIB, a program
delivered with Aspen Plus. Every Aspen Plus run produces a
summary file, which contains all the results of the simulation.
STRLIB copies stream results from an Aspen Plus summary file
into a stream library. You can store data from any number of
Aspen Plus runs in one stream library.
A stream library is organized in cases. You identify a stream by
the:
• Stream name
• Case to which it belongs
Each case usually corresponds to one Aspen Plus run. However,
you can store streams from more than one Aspen Plus run in a
single case. You can also store data from a single run in several
cases.
Using STRLIB, you enter commands to create or modify a stream
library. The most common use of STRLIB involves these steps:
1 Opening a summary file using the OPEN command.
2 Establishing the case where you want to copy streams, using
the OPEN or CASE commands.
3 Adding or replacing streams in the library, using the ADD or
REPLACE commands.
Running STRLIB To run STRLIB interactively, enter this command at the operating
Interactively system prompt:
strlib libname
Where libname is the stream library you want to create or
modify. The stream library name can be up to eight characters
long.
Library files have the extension *.slb.
When the STRLIB> prompt appears, you can enter commands.
STRLIB prompts you for each command.
Running STRLIB in You can run STRLIB non-interactively to create or update a stream
Batch Mode library. Running STRLIB in batch mode automatically adds all the
streams from the summary file produced by an Aspen Plus run.

35-2 • Creating Stream Libraries Aspen Plus 11.1 User Guide

 To run STRLIB in batch mode, enter this command at the
operating system prompt:
STRLIB libname runid [case]
libname is the name of the library you want to create or modify.
If the library does not exist, it will be created and initialized to
contain 10 cases.
runid is the name of the Aspen Plus summary file from which
you want to transfer streams.
case is the case name where you want to add streams. If you do
not specify the case name, STRLIB uses the runid from the
summary file as the case name.
The batch mode STRLIB command is equivalent to the following
sequence of commands when you run STRLIB interactively:
STRLIB> OPEN runid [case]
STRLIB> ADD ALL
STRLIB> EXIT

Aspen Plus 11.1 User Guide Creating Stream Libraries • 35-3

 STRLIB Commands
This table lists a summary of the commands you can use in
STRLIB.
You can abbreviate any STRLIB command. Enter all commands at
the STRLIB> prompt, typing enough letters to identify the
command as unique.
Command Description
ADD Add a stream to the library.
CASE Change the current case.
DELCASE Delete a case from the library.
DELSTREAM Delete a stream from the library.
DIRECTORY List the cases in the library and the streams in a case.
DUMP Write stream information to a file.
END End STRLIB and update the library.
EXIT End STRLIB and update the library.
HELP Display interactive help on STRLIB commands.
INITIALIZE Initialize a library.
LIST List streams in the summary file.
LOAD Load stream information from a dump file.
OPEN Open a summary file.
PACK Pack (compress) the library.
RENAME Rename a stream in the library.
REPLACE Replace a stream in the library.
QUIT End STRLIB without updating the library.
ADD The ADD command copies a stream from an Aspen Plus summary
file to the library. The stream to be copied must not already exist in
the current case of the library. (Use the REPLACE command to
replace streams that already exist.)
Specify ADD ALL to copy all streams from a summary file to the
library.
Syntax:
 stream − ID 
 
ADD  ALL 
CASE The CASE command changes the current case. Streams in the
stream library are organized into cases. You establish a case when
you open a summary file (using the OPEN command) or when you
use the CASE command. For more information about cases, see
Creating or Modifying a Stream Library.

35-4 • Creating Stream Libraries Aspen Plus 11.1 User Guide

 The ADD, DELSTREAM, DUMP, RENAME, and REPLACE
commands apply to streams in the current case.
Syntax:
CASE casename
DELCASE The DELCASE command deletes a case from the library. All
streams in the case are deleted.
Syntax:
DELCASE casename
DELSTREAM The DELSTREAM command deletes a stream from the current
case.
If you delete many streams from a library, you should use the
PACK command to recover the deleted space. See the PACK
command description, this section.
Syntax:
DELSTREAM stream-id
DIRECTORY The DIRECTORY command lists the cases and streams stored in
the stream library. If you do not specify a case in the
DIRECTORY command, STRLIB lists all the cases in the library
and the number of streams in each case. If you specify a case,
STRLIB lists only the streams in that case.
Syntax:
DIRECTORY [casename]
DUMP The DUMP command writes the information about a stream stored
in the library. STRLIB prompts you to specify whether you want to
write to the terminal or to a file. If you write to a file, STRLIB
prompts you for the filename. Specify DUMP ALL to dump all
streams from all cases in a library.
Use DUMP if you want to:
• View the information for a stream
• Transfer information from one library to another
If you need to reinitialize a library to increase the maximum
number of cases that can be stored, use the DUMP ALL command
first to save the contents of the library. To restore the information,
use the LOAD command.
Syntax:
 stream − ID 
 
DUMP  ALL 

Aspen Plus 11.1 User Guide Creating Stream Libraries • 35-5

 END The END command ends the STRLIB session. The stream library
is updated with all the changes you made during the session. The
END and EXIT commands are synonymous. (Use the QUIT
command to end STRLIB without updating the library, so changes
made during the session are not saved.)
Syntax:
END
EXIT The EXIT command ends the STRLIB session. The stream library
is updated with all changes you made during the session. The END
and EXIT commands are synonymous. (Use the QUIT command
to end STRLIB without updating the library, so changes made
during the session are not saved.)
Syntax:
EXIT
HELP The HELP command activates the interactive help system, so you
can obtain help for STRLIB commands.
Syntax:
HELP [command]
INITIALIZE The INITIALIZE command destroys all data in a stream library.
Use it only when creating a library or after using the DUMP ALL
command.
The INITIALIZE command initializes a new stream library. You
must specify the maximum number of cases the library will
contain. Enter the INITIALIZE command before performing any
operations on a new stream library.
Syntax:
INITIALIZE numcase
LIST The LIST command lists the streams in the current summary file.
Syntax:
LIST
LOAD The LOAD command loads information from a dump file created
with the DUMP command. STRLIB loads all cases and streams.
Syntax:
LOAD filename
OPEN The OPEN command opens a summary file, so that streams from
an Aspen Plus run can be transferred to the library. If you do not
specify a case name, STRLIB uses the RUNID from the summary
file as the case name.

35-6 • Creating Stream Libraries Aspen Plus 11.1 User Guide

 Syntax:
OPEN filename [casename]
PACK The PACK command packs the stream library to recover blank
spaces created when streams are deleted. The PACK command is
necessary only if you delete many streams from a library and want
to recover unused file space.
Syntax:
PACK
RENAME The RENAME command renames a stream in the library.
RENAME applies only to the current case.
Syntax:
RENAME oldname newname
REPLACE The REPLACE command replaces a stream in the current case
with a stream of the same name from a summary file. If the stream
does not exist in the library, STRLIB adds it.
Specify REPLACE ALL to copy all streams from a summary file
to the library, overwriting any streams of the same name that exist
in the library.
Syntax:
 stream − ID 
 
REPLACE  ALL 
QUIT The QUIT command ends the STRLIB session. The stream library
is not updated with any changes made during the current STRLIB
session. (Use the END or EXIT commands to end STRLIB and
update the stream library with the changes made during the
session.)
Syntax:
QUIT
Example of Creating Create a stream library that can contain two cases. Add streams S1
a Library with Two and S2 from summary file RUN1. Also add all the streams from
Cases summary file RUN2.
STRLIB> INITIALIZE 2
STRLIB> OPEN [Link]
STRLIB> ADD S1
STRLIB> ADD S2
STRLIB> OPEN [Link]
STRLIB> ADD ALL
STRLIB> END
The library will be organized in two cases, RUN1 and RUN2.

Aspen Plus 11.1 User Guide Creating Stream Libraries • 35-7

 Create a stream library that can hold five cases. Create one case,
Example of Creating
PROJECT. Add streams PROD1 and PROD2 from summary file
a Library with One
RUN1, and stream FEED1 from summary file RUN2.
Case
STRLIB> INITIALIZE 5
STRLIB> OPEN [Link]
STRLIB> CASE PROJECT
STRLIB> ADD PROD1
STRLIB> ADD PROD2
STRLIB> OPEN [Link]
STRLIB> CASE PROJECT
STRLIB> ADD FEED1
STRLIB> END
The OPEN command creates a new case if a case name is not
specified. The library must be initialized to hold at least three
cases. The preceding set of commands will create two empty cases
named RUN1 and RUN2.
To avoid creating the empty cases, use the case name in the OPEN
command.
STRLIB> INITIALIZE 5
STRLIB> OPEN [Link] PROJECT
STRLIB> ADD PROD1
STRLIB> ADD PROD2
STRLIB> OPEN [Link] PROJECT
STRLIB> ADD FEED1
STRLIB> END

35-8 • Creating Stream Libraries Aspen Plus 11.1 User Guide

 C H A P T E R 36

Stream Summary Formats

About Stream Summary Formats

Aspen Plus allows you to customize stream reports and tables
using Table Format Files (TFFs). Using TFF language, you can
customize the:
• Results Summary Streams form and block StreamResult sheets
to your own format, for analyzing your simulation results
• Stream table in a process flow diagram (PFD), to meet your
company’s standards
A Table Format File contains easy-to-understand language that you
can use to:
• Display a selected list of stream properties of interest, in a
specified order
• Add or change labels for stream properties
• Manipulate the format of stream property values (for example,
scaling, normalization, units conversion, and trace cut-off)
This section explains how to create and use TFFs. Sample TFFs
are provided. Read this section if you plan to customize your
stream summary form or the stream table in your process flow
diagram (PFD).
See one of the following topics for more information:
• About the Aspen Plus TFFs
• Creating a TFF
• Basic Stream Result Properties

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-1

 About the Aspen Plus TFFs
Aspen Plus provides several Table Format Files in your system
directory. If you installed Aspen Plus in the default directory, your
system directory is Program Files\AspenTech\Aspen Plus
11.1\xeq.
By default Aspen Plus displays the stream summary and stream
table based on the built-in TFF for the Application Type you chose
when creating your simulation.
Choose a stream format to display your stream report from:
• The Stream Format fields on the Setup Specifications Stream
Report
• The Format field on the ResultsSummary Streams Material
sheet or the block StreamResults Material sheet
All of the TFF files located in either the system directory or in the
working directory are displayed in the list. You can modify any
Aspen Plus TFF or create your own. TFF files should be placed
either in your working directory or in the system directory.
Aspen Plus uses the TFF you select in either field for all Results
Summary Streams sheets you display, until you select another
TFF.
To select a stream format:
1 Move to the Stream Format field of the Setup Specifications
Stream Report sheet, the ResultsSummary Streams Material
sheet, or the block StreamResults Material sheet.
2 Click the list and scroll through the options, looking at the
descriptions of each TFF.
3 Select a TFF. If you are using built-in TFFs, it is recommended
that you select one of the TFFs for your Application Type. For
example, if you are using one of the Petroleum Application
Types, choose a TFF beginning with Petro.
It is not necessary to re-run the simulation in order to see the
results in another format.

36-2 • Stream Summary Formats Aspen Plus 11.1 User Guide

 Creating a TFF
You can:
• Edit the TFFs provided with Aspen Plus to customize your
stream summary and stream tables. These files are located in
the Program Files\AspenTech\Aspen Plus 11.1\xeq directory if
you installed Aspen Plus in the default directory.
• Use TFF language to create your own TFF.
TFF File Format and Use TFF language to customize your stream summary or stream
Options table. Follow these rules:
• TFF sentences are not case sensitive.
• Any line beginning with a semi-colon in column 1 is treated as
a comment line.
• The ampersand (&) is used to continue a line.
The format for the TFF and a description of the format follow.
TITLE = value
STREAMS=value
STREAM-ID-LABEL = value
SOURCE-LABEL = value
DEST-LABEL = value
PHASE-LABEL = value
BEGLOOP SUBSTREAM = value
ENDLOOP
DISPLAY qualifier optional qualifier=value
option=value
Qualifiers:
ALL ONLY REMAIN
Optional qualifiers:
SUBSTREAM COMPS PHASE BASIS TEMP
PRES LVPCT COMP-ATTR SUBS-ATTR
Options:
FORMAT NORMALIZE PPM PPB TRACE
TRACE-LABEL ZERO-LABEL MISSING-LABEL
PROP-HEADER COMPS-HEADER
SUBSTREAM-HEADER PB-HEADER TEMP-HEADER
PRES-HEADER LVPCT-HEADER
COMP-ATTR-HEADER SUBS-ATTR-HEADER COMP-
ATTR-ELEM SUBS-ATTR-ELEM
PROP prop-name qualifier=value option=value

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-3

 Optional qualifiers:
SUBSTREAM COMPS PHASE BASIS TEMP
PRES LVPCT COMP-ATTR SUBS-ATTR
Options:
FORMAT PROP-LABEL UNITS UNITS-LABEL
NORMALIZE SCALE SCALE-LABEL PPM PPB
TRACE TRACE-LABEL ZERO-LABEL
MISSING-LABEL MW BP MW-BP-FORMAT
HEADER PROP-HEADER COMPS-HEADER
SUBSTREAM-HEADER PB-HEADER TEMP-HEADER
PRES-HEADER LVPCT-HEADER COMP-ATTR-
HEADER SUBS-ATTR-HEADER COMP-ATTR-ELEM
SUBS-ATTR-ELEM
TEXT "Text enclosed in double quotes"
TITLE Title for the stream table. The TITLE line must be the first non-
comment line in the TFF. If you choose to wrap the stream table,
TITLE is not repeated. TITLE is not displayed in the Results
Summary Streams form.
TITLE=YES The title you specified on the Setup
Specifications form is used. If no title is
specified on Setup Specifications, the title Heat
and Material Balance Table is used.
TITLE=NO No title is displayed. (Default)
TITLE="string" The string (up to 64 characters) enclosed in
double quotes is used as the title for the stream
table.
STREAMS Use to define a set of streams and their order on the Results
Summary Streams form and in the stream table.
STREAMS=sid-list List of stream IDs
If the STREAMS statement is not in your TFF,
all streams are displayed in alphanumeric order.
(Default)
You can interactively select the streams and the
order they are displayed on the Results
Summary Streams form.
STREAM-ID-LABEL Label for the stream ID row in the stream table. See Header
Sentence Order in the Stream Table.
STREAM-ID-LABEL= The label Stream ID is used.
YES
STREAM-ID-LABEL= The Stream ID row is not displayed. (Default)
NO
STREAM-ID-LABEL= The string (up to 20 characters) in double quotes
"string" is used as the label.

36-4 • Stream Summary Formats Aspen Plus 11.1 User Guide

 SOURCE-LABEL Label for the source block row in the stream table. See Header
Sentence Order in the Stream Table.
SOURCE-LABEL= The label From is used.
YES
SOURCE-LABEL=NO The source block row is not displayed. (Default)
SOURCE-LABEL= The string (up to 20 characters) enclosed in
"string" double quotes is used as the label.
DEST-LABEL Label for the destination block row in the stream table. See Header
Sentence Order in the Stream Table.
DEST-LABEL=YES The label To is used.
DEST-LABEL=NO The destination block row is not displayed.
(Default)
DEST-LABEL= The string (up to 20 characters) enclosed in
"string" double quotes is used as the label.
PHASE-LABEL Label for the phase row for the MIXED substream. See Header
Sentence Order in the Stream Table.
PHASE-LABEL=YES The label Phase is used.
PHASE-LABEL=NO The phase row is not displayed. (Default)
PHASE-LABEL= The string (up to 20 characters) enclosed in
"string" double quotes is used as the label.
BEGLOOP, ENDLOOP Optional sentences that enable you to control the display of
properties when there are two or more substreams. You can define
groups of DISPLAY sentences by enclosing them between pairs of
BEGLOOP and ENDLOOP sentences. Aspen Plus displays
properties specified by the enclosed DISPLAY sentence for one
substream at a time, looping through all requested substreams.
SUBSTREAM List of substreams to loop through
SUBSTREAM=ssid-list List of substream IDs
SUBSTREAM=ALL All substreams
DISPLAY Used to control the display of the stream properties. DISPLAY is
usually used in conjunction with one or more PROP sentences.
PROP sentences can control the order and display of individual
properties. You can have any number of DISPLAY sentences in a
TFF.
DISPLAY ALL Display all stream properties identified by the
specified qualifiers. Use the format described
by the options.
DISPLAY ONLY Display only the stream properties specified by
the PROP sentences following the DISPLAY
ONLY sentence. Use the order of the PROP
sentences, with the specified qualifiers and
options.

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-5

 DISPLAY REMAIN Display the remaining stream properties (those
not already specified by DISPLAY or PROP
sentences). Identify stream properties by the
specified qualifiers, in the format described by
the options.
PROP Used to control the display of an individual property. When used in
conjunction with DISPLAY ONLY, PROP sentences specify the
order in which the properties are displayed. See Qualifier
Descriptions for DISPLAY and PROP, and Option Descriptions
for DISPLAY and PROP.
prop-name Stream property. This is the Prop-Set name for a
stream property (for example, MOLEFLMX for
total mole flow). Prop-Set names are listed in
the Property field on the Prop-Sets form. A
property displayed in the stream summary or a
stream table must be one of the basic stream
result properties in its default units, or the
property must be included in a prop-set ID in the
Property sets field on the Setup Specification
Stream Report form. All such properties appear
in standard stream reports for your run.
If your TFF requests a stream property that is
not in listed in the table or included in a prop-set
ID, or requests a basic stream result property in
different units from the default when that
property is not included in a prop-set ID,
Aspen Plus does not display the property.
The options specified with the PROP sentence are combined with
the DISPLAY options when Aspen Plus displays the properties. If
the same option is specified for PROP and the preceding
DISPLAY sentence, the PROP specification is used.
TEXT Allows you to insert a text line within the side label of your stream
table. Enclose text in double quotes. To insert a blank line, use a
pair of double quotes with a space between them.

36-6 • Stream Summary Formats Aspen Plus 11.1 User Guide

 Basic Stream Result Properties
Component Flows

These properties are available if the corresponding option is

selected on the Setup | Report Options | Stream sheet.
Prop-Name Description
MOLEFLOW Component mole flow
MASSFLOW Component mass flow
VLSTD Component standard volume flow
MOLEFRAC Component mole fraction
MASSFRAC Component mass fraction
VLSTDFR Component standard volume fraction
Regular Properties
Prop-Name Description
MOLEFLMX Total mole flow
MASSFLMX Total mass flow
VOLFLMX Total volume flow
TEMP Temperature
PRES Pressure
VFRAC Vapor fraction
LFRAC Liquid fraction
SFRAC Solid fraction
HMX Enthalpy (in mole, mass, and flow basis)
SMX Entropy (in mole and mass basis)
RHOMX Density (in mole and mass basis)
MWMX Average molecular weight
COMP-ATTR Component attributes
SUBS-ATTR Substream attributes

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-7

 Batch Stream Properties

These properties are displayed only if you specify batch streams in

the Batch Operation dialog box on the Setup | Report Options |
Stream sheet.
Prop-Name Description
CMASS_TIME Component mass flow rate during actual
operation
CMOLE_TIME Component mole flow rate during actual
operation
CVOL_TIME Component standard volume flow rate during
actual operation
CMASS_CYCLE Component mass per cycle
CMOLE_CYCLE Component mole per cycle
CVOL_CYCLE Component standard volume per cycle
CYCLE_TIME Cycle time
OPER_TIME Operation time
NTRAIN Number of trains
MASS_TIME Total mass flow rate during actual operation
MOLE_TIME Total mole flow rate during actual operation
VOL_TIME Total volume flow rate during actual operation
ENTH_TIME Total enthalpy flow rate during actual operation
MASS_CYCLE Total mass per cycle
MOLE_CYCLE Total mole per cycle
VOL_CYCLE Total volume per cycle
ENTH_CYCLE Total enthalpy per cycle

36-8 • Stream Summary Formats Aspen Plus 11.1 User Guide

 Qualifier Descriptions This section describes the qualifiers you can use in both DISPLAY
and PROP sentences. You can think of the combined DISPLAY
for DISPLAY and
and PROP qualifiers as a property filter. Any property in the
PROP
stream report that passes the filter is displayed.
The qualifiers listed are all possible specifications for a Prop-Set
property, except UNITS. See Option Descriptions for DISPLAY or
PROP, this chapter. The only qualifiers that apply to the basic
stream report properties are SUBSTREAM and COMPS. The basic
stream result properties do not display if the PHASE or BASIS
qualifiers are set to any value other than the default (ALL).
SUBSTREAM Substreams for which the property is to be
displayed
SUBSTREAM=ssid-list List of substream IDs
SUBSTREAM=ALL All substreams
(Default)
COMPS Components for which the property is to be
displayed
COMPS=cid-list List of component IDs
COMPS=ALL All components
(Default)
PHASE Phase for which the property is to be displayed
PHASE=V Vapor
PHASE=L Total liquid
PHASE=L1 1st liquid
PHASE=L2 2nd liquid
PHASE=S Solid
PHASE=T Total mixture
PHASE=ALL All phases of the
property in the stream
report (Default)
BASIS Basis for which the property is to be displayed
BASIS=WET Includes water
BASIS=DRY Excludes water
BASIS=ALL All bases of the
property in the stream
report (Default)
TEMP Temperatures for which the property is to be
displayed
TEMP=list List of temperatures
TEMP=ALL All temperature values
of the property in the
stream report (Default)

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-9

 PRES Pressures for which the property is to be
displayed
PRES=list List of pressures
PRES=ALL All pressure values of
the property in the
stream report (Default)
LVPCT Liquid volume percents for which the property
is to be displayed
LVPCT=list List of liquid volume
percents
LVPCT=ALL All liquid volume
percent property values
in the stream report
(Default)
COMP-ATTR Component attributes to be displayed
COMP-ATTR=cattr-list List of component
attributes
COMP-ATTR=ALL All component
attributes (Default)
SUBS-ATTR Substream attributes to be displayed
SUBS-ATTR=sattr-list List of substream
attributes
SUBS-ATTR=ALL All substream attributes
(Default)
Option Descriptions This section describes the options for the DISPLAY and PROP
for DISPLAY and sentences. These options control the display, side label, and units
PROP of a property value.
FORMAT Stream property value display format string,
enclosed in double quotes. (Default=customized
G format designed to show maximum precision)
See Formats for Numbers. Applies to both
DISPLAY and PROP sentences.
PROP-LABEL Stream property label to override the Aspen Plus
property label. Can be used, for example, to
replace the Aspen Plus property name MUMX
with the label Viscosity. Applies to PROP
sentence only. May be truncated in the stream
summary, but displays in full in the stream
tables.

36-10 • Stream Summary Formats Aspen Plus 11.1 User Guide

 UNITS Stream property value units of measurement
([Link]-Set1, [Link]-Set2 and
[Link]-Set3 forms), enclosed in double
quotes. Property value is converted to your
specifications. A stream property may be
available in more than one type of unit. For
example, enthalpy for a stream may have units-
types of mole-enthalpy, mass-enthalpy, and
enthalpy-flow. In this case the specified units
define both the units and the units types to be
displayed. If no units are specified, the stream
property is displayed in all available units types.
The units specification is overridden if you
select a units-set on the Results Summary
Streams form, but the units-types selection is
sustained. Applies to PROP only.
(Default=global out-units for basic stream result
properties and local units for each additional
prop-set).
UNITS-LABEL Label for units of measurement. The Units label
is a character string enclosed in double quotes.
Overrides the Aspen Plus Units label. Can be
used, for example, to print the units label in
lowercase characters. Applies to PROP sentence
only, and only if the UNITS qualifier is used.
NORMALIZE Normalization flag for component flow or
fraction properties
NORMALIZE=YES Normalize property
values. See The
NORMALIZE Option.
NORMALIZE=NO Do not normalize
values. (Default)
Applies to DISPLAY and PROP sentences.
SCALE Scale factor. Property value is divided by scale
factor before it is displayed. Used to reduce the
magnitude of printed values. You must also
specify SCALE-LABEL. Applies to PROP
sentence only.
SCALE-LABEL Scale factor label enclosed in double quotes.
Appears in front of the units label or UNITS-
LABEL you supply. Applies to PROP sentence
only.

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-11

 PPM Parts per million cut-off value. Property values
below the specified number are displayed as
PPM. For example, if you specify PPM=1E-3,
any property values smaller than 0.001 are
displayed as 1 PPM to 999 PPM. Applies only
to component flow or fraction properties. See
The NORMALIZE Option and PPM, PPB, and
TRACE Options. Applies to both DISPLAY and
PROP sentences.
PPB Parts per billion cut-off value. Property values
below the specified number are displayed as
PPB. For example, by specifying PPB=1E-6,
property values smaller than 0.000001 are
displayed as 1 PPB to 999 PPB. Applies only to
component flow or fraction properties. See The
NORMALIZE Option and PPM, PPB, and
TRACE Options. Applies to both DISPLAY and
PROP sentences.
TRACE Trace cut-off value. Property values smaller
than the specified cut-off value are not
displayed. The character string specified by
TRACE-LABEL is displayed instead. Applies to
both DISPLAY and PROP sentences. See PPM,
PPB, and TRACE Options.
TRACE-LABEL Trace symbol for displaying trace value,
enclosed in double quotes (Default=blank).
Applies to both DISPLAY and PROP sentences.
ZERO-LABEL Label for zero value enclosed in double quotes
(Default=0.0). Applies to both DISPLAY and
PROP sentences.
MISSING-LABEL Label for property values not calculated,
enclosed in double quotes (Default=blank).
Applies to both DISPLAY and PROP sentences.
MW Molecular weight display. Applies to
component-dependent properties only. Displays
in the units column in the stream summary or
stream table.
MW=YES Display molecular
weight next to the
component ID.
MW=NO Do not display
molecular weight.
(Default)
Applies to PROP sentence only.
BP Boiling point display. Applies to component-
dependent properties only. Displays in the units
column in the stream summary or stream table.

36-12 • Stream Summary Formats Aspen Plus 11.1 User Guide

 BP=YES Display boiling point
next to the component
ID.
BP=NO Do not display boiling
point. (Default)
Applies to PROP sentence only.
MW-BP-FORMAT Molecular weight or boiling point format string,
enclosed in double quotes (Default=%.0f). See
Formats for Numbers. Used when MW=YES or
BP=YES.
Applies to PROP sentence only.
HEADER Header above a property
HEADER="string" The specified string of
up to 20 characters is
displayed in the line
above the property side
label. (Default: no
header)
Applies to PROP sentence only.
PROP-HEADER Property header
PROP-HEADER=YES Property label is
displayed. (Default)
PROP-HEADER=NO Property label is not
displayed.
PROP-HEADER= The specified string of
"string" up to 20 characters is
used as the property
label and overrides the
PROP-LABEL
specification. You can
use the TFF variables
@PROP (property
label) and @UNITS
(units label) within this
string. Can be truncated
in the stream summary
but displays in full in
the stream table.
Applies to both DISPLAY and PROP sentences.
COMPS-HEADER Component header. Used with component-
dependent property only.
COMPS- Component header,
HEADER=YES consisting of a
component ID, is used.
The component ID is
indented two spaces.
(Default)

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-13

 COMPS- The component ID is
HEADER=NO not displayed.
COMPS-HEADER= The specified string of
"string" up to 20 characters is
used as the component
header. The TFF
variable @COMPS
(component ID) can be
used within this string.
Can be truncated in the
stream summary but
displays in full in the
stream table.
Applies to both DISPLAY and PROP sentences.
SUBSTREAM- Substream header
HEADER
SUBSTREAM- Substream header of the
HEADER= form "Substream: ssid"
YES is used. (Default)
SUBSTREAM- Substream header is not
HEADER= displayed.
NO
SUBSTREAM- The specified string of
HEADER= up to 20 characters is
"string" used as the substream
header. The TFF
variable
@SUBSTREAM
(substream ID) can be
used within this string.
Can be truncated in the
stream summary but
displays in full in the
stream table.
Applies to both DISPLAY and PROP sentences.
PB-HEADER Phase-Basis header
PB-HEADER=YES Phase-Basis header of
the form "basis phase"
is used. (Default)
PB-HEADER=NO Phase-Basis header is
not displayed.

36-14 • Stream Summary Formats Aspen Plus 11.1 User Guide

 PB-HEADER="string" The specified string of
up to 20 characters is
used as the Phase-Basis
header. The TFF
variables @BASIS
(basis) and @PHASE
(phase) can be used
within this string. Can
be truncated in the
stream summary but
displays in full in the
stream table.
Applies to both DISPLAY and PROP sentences.
TEMP-HEADER Temperature header. Used when the property is
calculated at a specified temperature.
TEMP-HEADER=YES Temperature header of
the form
**Temperature
value**" is used.
(Default)
TEMP-HEADER=NO No temperature header
is displayed.
TEMP-HEADER= The specified string of
"string" up to 20 characters is
used as the temperature
header. You can use the
TFF variable @TEMP
(temperature) within
this string. Can be
truncated in the stream
summary but displays
in full in the stream
table.
Applies to both DISPLAY and PROP sentences
PRES-HEADER Pressure header. Used when the property is
calculated at a specified pressure.
PRES-HEADER=YES Pressure header of the
form"**Pressure
value**" is used.
(Default)
PRES-HEADER=NO No pressure header is
displayed.

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-15

 PRES-HEADER= The specified string of
"string" up to 20 characters is
used as the pressure
header. You can use the
TFF variable @PRES
(pressure) within this
string. Can be truncated
in the stream summary
but displays in full in
the stream table.
Applies to both DISPLAY and PROP sentences.
LVPCT-HEADER Liquid volume percent header. Used with liquid
volume percent dependent properties only.
LVPCT-HEADER= Liquid volume percent
YES header, consisting of a
liquid volume percent,
is used. (Default)
LVPCT-HEADER=NO Liquid volume percent
is not displayed.
LVPCT-HEADER= The specified string of
"string" up to 20 characters is
used as the liquid
volume percent header.
You can use the TFF
variable @LVPCT
(liquid volume percent)
within this string. Can
be truncated in the
stream summary but
displays in full in the
stream table.
Applies to both DISPLAY and PROP sentences.
COMP-ATTR- Component attribute header
HEADER
COMP-ATTR- Component attribute
HEADER= header of the form "cid
YES cattr-id" is used.
(Default)
COMP-ATTR- Component attribute
HEADER= header is not displayed.
NO

36-16 • Stream Summary Formats Aspen Plus 11.1 User Guide

 COMP-ATTR- The specified string of
HEADER= up to 20 characters is
"string" used as the component
attribute header. You
can use the TFF
variable @COMPS
(component) and
@COMP-ATTR
(component attribute)
within this string.
Applies to both DISPLAY and PROP sentences.
SUBS-ATTR- Substream attribute header
HEADER
SUBS-ATTR- Substream attribute
HEADER= header of the form "ssid
YES sattr-id" is used.
(Default)
SUBS-ATTR- Substream attribute
HEADER= header is not displayed.
NO
SUBS-ATTR- The specified string of
HEADER= up to 20 characters is
"string" used as the substream
attribute header. You
can use the TFF
variable @SUBS-
ATTR (substream
attribute) within this
string.
Applies to both DISPLAY and PROP sentences.
COMP-ATTR-ELEM Component attribute element to be displayed.
For example, component attribute SULFANAL
has three elements: PYRITIC, SULFATE, and
ORGANIC.
COMP-ATTR-ELEM= List of component
cattr-elem-list attribute elements
COMP-ATTR-ELEM= All elements (Default)
ALL
Applies to both DISPLAY and PROP sentences.
SUBS-ATTR-ELEM Particle size distribution interval number to be
displayed.
SUBS-ATTR-ELEM= List of particle size
sattr-elem-list distribution intervals
SUBS-ATTR-ELEM= All intervals (Default)
ALL
Applies to both DISPLAY and PROP sentences.

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-17

 Header Sentence The order of the header sentences (TITLE, STREAM-ID-LABEL,
Order in the Stream SOURCE-LABEL, DEST-LABEL, PHASE-LABEL) in your TFF
Table indicates the order of header information in the stream table. The
order of these sentences has no effect on the stream summary form.
You must specify YES or supply your own label to display a
header on the stream table.
You can specify up to 20 characters for STREAM-ID-LABEL,
SOURCE-LABEL, DEST-LABEL, and PHASE-LABEL. Your
specified label does not appear on the stream summary form.
Formats for Numbers There are three conversion formats (%-[Link], %-[Link], %-
[Link]). The conversion format variables are:
Variable Explanation
% Percent character. Lead character for format specification.
– Optional minus sign, which left-justifies the number.
Without the minus sign, the number is right-justified.
xx A digit string specifying a minimum field length for the
converted number. The number takes at least this much
space to print, and more if necessary.
yy A digit string specifying the precision, (that is, the number of
digits) to be printed to the right of the decimal point.
e Number is converted to the form [-][Link][±]cc. Length
of b is specified by yy (Default is 6). Use uppercase E in the
format specification for uppercase E in the printed numbers.
f Number is converted to the form [-][Link]. Length of b
is specified by yy (Default is 6).
g The shorter of %e or %f is used. Use uppercase G in the
format specification for uppercase E in the printed numbers.
The recommended format is %10.2f. This format prints values
with two digits to the right of the decimal, if there is room. If the
number is greater than 9,999,999, Aspen Plus eliminates the
fractional digits, then spills over the field range to the left.
Other common formats used in stream tables are:
Stream table format Prints
%10.0f Whole numbers, with no decimal digits or
exponents
%[Link] Numbers without exponents and with n digits to
the right of the decimal point, if there is room.
Decimal points line up, unless decimal digits
have been eliminated in some numbers.
%[Link] Numbers in exponential notation, with n+1
significant digits
The f format is most common in stream tables. You can use the
SCALE option, or "large units" (for example, MMBTU/HR instead

36-18 • Stream Summary Formats Aspen Plus 11.1 User Guide

 of BTU/HR). This option reduces the size of the value printed, so it
fits in the table with the f format specification.
Any number forced to display as zero with the specified f format is
displayed as "< number", where number is the smallest number
that can be displayed by that format. For example, the number
0.002 displayed under the %10.2f format is < 0.01
The NORMALIZE The NORMALIZE option is used with the component flows or
Option fraction properties, as shown in the following table:
If the component property is Then it is normalized to
Mole flow (MOLEFLOW) Total mole flow (MOLEFLMX) of the
same substream
Mass flow (MASSFLOW) Total mass flow (MASSFLMX) of the
same substream
Standard vapor volume Total standard vapor volume
(VVSTD) (VVSTDMX) of the same substream
Standard liquid volume Total standard liquid volume
(VLSTD) (VLSTDMX) of the same substream
Mole fraction (MOLEFRAC) 1
Mass fraction (MASSFRAC) 1
Standard vapor volume fraction 1
(VVSTDFR)
Standard liquid volume fraction 1
(VLSTDFR)
The component property displayed is forced to add up to exactly
the normalization value. For example, suppose you display mass
fractions with two digits (such as %10.2f) and NORMALIZE =
YES. Aspen Plus adjusts the new fractions to sum to exactly 1.00,
even if the value of each mass fraction rounded to 2 digits adds up
to 0.99.

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-19

 The options FORMAT, PPM, PPB, and TRACE are related when
PPM, PPB, and
you specify a format on the flow or fraction properties. For
TRACE Options
example, assume you have the following specification:
PROP MOLEFLOW FORMAT="%10.2f" PPM=1e-3 PPB=1e-
6 TRACE=1e-9
This specification is shown in this diagram:
TRACE PPB PPM

0 10-12 10-9 10-6 10-3 1

If MOLEFLOW is Then the value is displayed as

Not calculated Blank or string specified in MISSING-LABEL
0 0.0 or string specified in ZERO-LABEL
−9
< 10 Blank or string specified in TRACE-LABEL
−9 −6
10 ≤ MOLEFLOW < 10 1 - 999 PPB
−6 −3
10 ≤ MOLEFLOW < 10 1 - 999 PPM
−3 −2
10 ≤ MOLEFLOW < 10 < 0.01
−2
≥ 10 Number as converted by the %10.2f format

You should always maintain the following relationship:

TRACE < PPB < PPM < Format precision
Example of a Full TFF The following is the system default TFF. The intent of this TFF is
to mimic the Aspen Plus stream report as closely as possible.
; This TFF mimics the Aspen Plus stream report and reports all
; calculated properties.
.;
title=yes
stream-id-label=yes
source-label=yes
dest-label=yes
phase-label=yes
;
begloop substream=all
display all
prop moleflow prop-label="Mole Flow"
prop massflow prop-label="Mass Flow"
prop vlstd prop-label="Liq Vol 60F"
prop molefrac prop-label="Mole Frac"
prop massfrac prop-label="Mass Frac"
prop vlstdfr prop-label="LiqVolFrac60F"
prop moleflmx prop-label="Total Flow"
prop massflmx prop-label="Total Flow"
prop volflmx prop-label="Total Flow"

36-20 • Stream Summary Formats Aspen Plus 11.1 User Guide

 prop vlstdmx prop-label="Liq Vol 60F"
prop temp prop-label="Temperature"
prop pres prop-label="Pressure"
prop vfrac prop-label="Vapor Frac"
prop lfrac prop-label="Liquid Frac"
prop sfrac prop-label="Solid Frac"
prop hmx prop-label="Enthalpy"
prop smx prop-label="Entropy"
prop rhomx prop-label="Density"
prop mwmx prop-label="Average MW"
;
; batch properties follow
;
; first, component-dependent properties
;
prop cmass_time prop-label = "Mass Flow"
prop cmole_time prop-label = "Mole Flow"
prop cvol_time prop-label = "Vol Flow"
prop cmass_cycle prop-label = "Mass/Cycle"
prop cmole_cycle prop-label = "Mole/Cycle"
prop cvol_cycle prop-label = "Vol/Cycle"
;
; overall stream properties
;
prop cycle_time prop-label = "Cycle Time"
prop oper_time prop-label = "Operat Time"
prop ntrain prop-label = "No. Trains"
prop mass_time prop-label = "Mass Flow"
prop mole_time prop-label = "Mole Flow"
prop vol_time prop-label = "Vol Flow"
prop enth_time prop-label = "Enthalpy"
prop mass_cycle prop-label = "Mass/Cycle"
prop mole_cycle prop-label = "Mole/Cycle"
prop vol_cycle prop-label = "Vol/Cycle"
prop enth_cycle prop-label = "Enthalpy/Cycle"
;
endloop

This is a general TFF that handles any stream class and any
number of property sets. The BEGLOOP and ENDLOOP
statements enclose the DISPLAY ALL keyword, which instructs
Aspen Plus to loop through all substreams and display all
properties found in each substream.
The header sentences (TITLE, STREAM-ID-LABEL, SOURCE-
LABEL, DEST-LABEL, and PHASE-LABEL) are specified to
take on the default values. The order of the header sentences
dictates how they are printed in the stream table. Since these
sentences are specified before any DISPLAY sentences, the header
information is displayed above the stream values in the stream
table.
Whenever Aspen Plus displays a property that is mentioned in the
system default TFF, the corresponding property label is used. For
example, when Aspen Plus displays density, the label "Density" is
used. The default label is used for any property without a specified
label. For example, the label RHOMX is used if PROP-
LABEL="Density" is not specified.

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-21

 All six combinations of component flow or fraction (mole, mass,
standard volume) are specified to anticipate your specifications. If
Aspen Plus cannot find the property you specify, nothing appears.
Example of Customizing Create the following TFF file to customize your stream table:
a TFF for Generating a
Stream Table

title="Ethylene plant separation train - Section 105"

stream-id-label="Streams"
display only format="%10.2f" substream-header=no
prop molefrac prop-header="Comp mole fraction" &
comps-header=" @comps" mw=yes mw-bp-format="%6.1f" &
normalize=yes ppm=1e-3 trace=1e-7 trace-label="---"
text " "
prop moleflmx prop-label="Total Mole Flow" &
units="LBMOL/DAY" units-label="Lbmol/Day" &
scale=1e3 scale-label="M"
prop massflmx prop-label="Total Mass Flow" &
units="LB/DAY" units-label="Lb/Day" &
scale=1e3 scale-label="M"
text " "
prop temp prop-label="T" units="F" units-label="Deg F"
prop pres prop-label="P" units="PSI" units-label="Psi"
prop rhomx prop-label="Density" units="LB/CUFT" &
units-label="Lb/Cuft"

Notice the following in the stream table:

• The stream ID label is customized. The source and destination
labels are not printed.
• The DISPLAY ONLY sentence limits the display to the
following properties: component mole fractions, total mole
flow, total mass flow, temperature, pressure, and mass density.
The format is 2-decimal-place precision.
• For the mole fraction section, the component IDs are indented
two spaces. The molecular weights are displayed next to the
component IDs with 1-decimal-place precision. The mole
fractions are normalized to 1.

36-22 • Stream Summary Formats Aspen Plus 11.1 User Guide

 • The possible mole fraction values are displayed according to
FORMAT, TRACE, PPM, and TRACE-LABEL specifications,
as described in the following table:
If MOLEFRAC is Then value is displayed as
Not calculated Blank
0 0.0
−7
< 10 —
−7 −6
10 ≤ MOLEFRAC < 10 < 1 PPM
−6 −3
10 ≤ MOLEFRAC < 10 1 - 999 PPM
−3 −2
10 ≤ MOLEFRAC < 10 < 0.01
−2
≥ 10 Number as converted by the %10.2f format
• Total mole flow is requested with units of "LBMOL/DAY."
Total massflow is requested with units of "LB/DAY."
• Two blank rows are inserted for cosmetic purposes.
• Properties (temperature, pressure, and mass density) are
requested. The property labels for these properties are
customized.

Aspen Plus 11.1 User Guide Stream Summary Formats • 36-23

36-24 • Stream Summary Formats Aspen Plus 11.1 User Guide
 C H A P T E R 37

Working with Other Windows

Programs

Overview
The Aspen Plus Windows user interface is built using Microsoft’s
OLE Automation (ActiveX™) technology. This technology
enables you to transfer data easily to and from other Windows®
programs. It enables you to access simulation data and methods
through an Automation client, such as Visual Basic® (VB).
See one of the following topics for help on Windows
interoperability features:
• About copying, pasting and OLE
• Copying and pasting simulation data
• Copying and pasting plots
• Creating active links between Aspen Plus and other Windows
applications
• Using embedded objects in your flowsheet

About Copying, Pasting, and OLE

Because Aspen Plus is a true Windows application, you can take
advantage of full Windows interoperability and object linking and
embedding (OLE). You can make your simulation work more
productive by creating active links between input/output fields in
Aspen Plus and other applications such as Word® and Excel®.
For example, simulation results such as column profiles and stream
results can be pasted into a spreadsheet for further analysis, into a

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-1
 word processor for reporting and documentation, into a design
program, or into a database for case storage and management.
Live data links can be established that update these applications as
the process model is changed to automatically propagate results of
engineering changes. The benefits to you are quick and error-free
data transfer and consistent engineering results throughout the
engineering work process.
Copying and Pasting In Aspen Plus, data contained in the fields of input and result
Simulation Data forms can be copied and pasted using the standard Copy and Paste
commands on the Edit menu. For example, you can copy
information from a field or group of fields in Aspen Plus, and then
paste it into:
• Another location within the same Aspen Plus simulation
• Another Aspen Plus simulation
• Any other Windows application such as Word, Excel, or
Access®
Copying Data To copy information in Aspen Plus using the Copy command:
1 Select (or highlight) the information you wish to copy.
To select an individual field of data, simply click the mouse in
the field.
To select multiple fields of data, hold down the Ctrl key while
clicking the mouse on multiple fields.
When copying values from a table, you can:
• Click-and-drag the mouse over a desired range of results
• Select an entire column of data by clicking the column
heading
• Select an entire row of data by clicking the row selector
button (on the left of the row of data)
• Select the entire table by clicking the button on the top left
corner of the table
2 From the Edit menu, click Copy, or on the keyboard, press Ctrl
+ C.
The selected values are now contained in the Windows paste
buffer, and can be pasted into Aspen Plus, or another Windows
application.

Note: When selecting data to be copied from a field in Aspen Plus,

the entire field of information is copied, not just a selected portion
of the field. For example, if a field contains as its value the number
"1234.567", you cannot use the mouse to highlight a portion of the
value (such as "123") for copying.

37-2 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 The Copy command always copies the whole field, with these
exceptions:
• The Setup Specifications Description sheet
• Any Fortran or Declarations input sheet
• The Comments dialog box for individual forms
Use the text box on these sheets for entering information, and to
select and copy information.
Copying with Format By default, the Copy command copies only the value (or values) of
information. Use the Copy with Format command from the Edit
menu to request that the label, units and basis for the values be
included with the value.
To copy information in Aspen Plus using the Copy with Format
command:
1 Select (or highlight) the information you wish to copy.
To select an individual field of data, click the mouse in the
field.
To select multiple fields of data, hold down the Ctrl key while
clicking the mouse on multiple fields.

Tip: When copying values from a table, you can click-and-drag

the mouse over a desired range of results, or you can select an
entire column or row of data by clicking the column heading or
row selector button.

2 From the Edit menu, click Copy with Format.

3 On the Copying dialog box that appears, click the check boxes
representing the type(s) of information that you want to be
included in the copy buffer.

4 Click OK.
The selected information is now contained in the Windows
paste buffer, and can be pasted into Aspen Plus, or another
Windows application.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-3
 Note: You can change the default formats included with the
standard Copy command, by selecting options in the Copy Buffer
Format frame of the General sheet on the Tools Options dialog
box.

Pasting To paste information in Aspen Plus using the Paste command:

1 First, ensure that the paste buffer contains information that has
been copied from Aspen Plus, or another Windows application.
2 Click the mouse in the input field where you wish to paste the
information. For multiple fields of information, click in the
upper-left most field.
3 From the Edit menu, click Paste or on the keyboard, press Ctrl
+ V.
4 If prompted with a message asking if you want to extend the
grid, click Yes. Aspen Plus needs to extend the grid if you are
pasting more rows or columns of data than are currently
displayed.
The information contained in the paste buffer will now appear
in the field, or group of fields you selected with the cursor.
This information remains in the paste buffer, and can be pasted
into additional locations by repeating steps 2 through 4.

Note: The Paste command has automatic filtering which prevents

the pasting of inconsistent or inappropriate information. For
example, you cannot paste a real value into an integer input field.

Example of Cutting and In this example, stream results are pasted into stream input fields.
Pasting Within Aspen This is a common task when you want to save final results as
Plus initial estimates for tear streams.
1 Open stream results. To do this, click the tear stream to select
it, then click it with the right mouse button. On the popup menu
that appears, click Results.
2 In the Data Browser, click the left mouse button on the molar
flowrate of the first component in the list, and drag the mouse
down to select all the values for component molar flowrates.

37-4 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 Tip: If all the component flowrates are not displayed, you can
expand the Data Browser window to display more components. Or
you can select the component flowrates by holding down the Ctrl
key and clicking with the mouse.

3 From the Edit menu, click Copy.

4 Using the Data Browser, open the Streams Input Specifications
sheet for the tear stream.
5 In the Composition frame, click in the first cell in the Value
column.
6 From the Edit menu, click Paste.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-5
 The molar flowrates from the stream results have been copied into
the stream input specifications. You can now enter two state
variables (you could also copy these values if you wish) to
complete the initial estimates for this tear stream.
Example of Pasting This example shows the steps necessary to paste column profile
Aspen Plus Results Into results from a RadFrac block in Aspen Plus into an Excel
Other Applications spreadsheet.
1 Open the column profile results. To do this, in the Process
Flowsheet window, click the RadFrac column to select it, then
click it with the right mouse button. From the menu that
appears, click Results.
2 In the left pane of the Data Browser window, click the Profiles
results form.
3 On the Profiles result form, click and drag over the results you
wish to copy.
– or –
Hold down the Ctrl key while you click the column headings
for the data you wish to copy.

4 From the Edit menu, click Copy.

5 Open a spreadsheet in Excel.
6 Select a cell in the Excel spreadsheet where you want to paste
the information.
7 From the Edit menu in Excel, click Paste.

37-6 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 The copied RadFrac results profile has been pasted into the
spreadsheet, where it can be manipulated, reformatted,
combined with additional data, and plotted using the features of
Excel. This same data could also be pasted into other
applications such as a table in Word, or a database in Access.
Example of Pasting Data In this example, atmospheric Txy data for ethyl acetate and ethanol
From Another Application will be copied from an Excel spreadsheet and pasted into a
Into Aspen Plus Properties Data form in Aspen Plus.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-7
 1 In the Aspen Plus simulation, create a properties data set of an
appropriate type to input the data. In this case, open or create a
mixture Txy data set (from the Properties Data Object
Manager) for the components ethyl acetate and ethanol, at a
pressure of 1 atmosphere.
2 Open the Properties Data mixture form for the newly created
data set, and examine the format for the columns of data.
Modify units and standard deviations if necessary.
Notice that there are columns for the compositions of ethanol,
as well as ethyl acetate.

The composition for the second component need not be

entered, as it will be calculated as the difference between 1 and
the composition of the first component. This means that you
must use two copy and paste operations to transfer the data
from Excel to Aspen Plus:
• Firstly, copy the Temperature and X columns
• Then copy the Y column
3 Open the Excel spreadsheet containing the data.
4 Click and drag to select the data to be copied. For the first copy
operation, select the temperature and liquid composition data.

37-8 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 5 From the Edit menu in Excel, click Copy.
6 In Aspen Plus, on the Data sheet for the newly created data set,
select the first empty cell in the Temperature column.
7 From the Aspen Plus Edit menu, click Paste.
8 In the Paste dialog box, click Yes to extend the data grid.
The temperature and liquid composition data is transferred into
the Data sheet.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-9
 9 Return to the Excel spreadsheet, and select the vapor
composition data, by clicking and dragging the mouse.
10 From the Edit menu in Excel, click Copy.
11 In Aspen Plus, on the Data sheet, select the first empty cell in
the Y column for ethyl acetate.
12 From the Aspen Plus Edit menu, click Paste.
The vapor composition data is transferred into the Data sheet.
You can now use this data set to estimate or regress property
parameters in Aspen Plus.
Copying and Pasting After generating plots in Aspen Plus, you can copy the plots and
Plots and Other paste them into the process flowsheet or into other Windows
Images applications as images. You can also copy images created in other
Windows applications, such as graphs created in Excel, and paste
them into the Aspen Plus process flowsheet.
See one of the following topics for help:
• Copying a plot or image in Aspen Plus
• Pasting a plot or image to the Process Flowsheet window
• Attaching plots or images to flowsheet blocks
Copying a Plot in Aspen To copy a plot in Aspen Plus:
Plus
1 Generate the desired plot and format the appearance of the plot
as you want it to appear when pasted. For details on creating
and formatting plots, see chapter 13, Working with Plots.
2 Select the plot in the Aspen Plus main window.
3 From the Edit menu, click Copy.
The plot is copied to the paste buffer.
Use Paste to paste the plot into the process flowsheet, or into
other Windows applications.
Pasting a Plot or Image To paste a plot into the process flowsheet:
onto the Aspen Plus
1 Ensure that the paste buffer contains the desired plot or other
Process Flowsheet
image. See Copying a Plot in Aspen Plus for more information.
2 Click in an empty part of the process flowsheet.
3 From the Edit menu, click Paste.
The image appears as an icon in the process flowsheet.
You can move or resize the image, like any object in the
flowsheet drawing. If the image is a plot, you can also change
its formatting. To do this, click the plot with the right mouse
button. From the menu that appears, click Properties. For more
information on formatting plots, see chapter 13, Working with
Plots.

37-10 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 Attaching Plots or Images When a plot or image has been pasted onto the process flowsheet,
to Flowsheet Blocks you can attach (or associate) the image to a block on the flowsheet.
Attaching an image to a flowsheet block ensures that when the
block is moved, the image will maintain is location with respect to
the block.
To attach an image to a flowsheet block:
1 Select the image that you wish to attach.
2 Click with the right mouse button on the image, and from the
menu that appears, click Attach.
The cursor changes to a cross-hair symbol.
3 Click the flowsheet block to which you want to attach the
image.
The image is now attached to the selected flowsheet block. If
the block is later moved to another location on the flowsheet,
the image will maintain its spatial arrangement with respect to
the block.
Example of Copying a In this example, a plot of RadFrac composition profiles will be
Plot and Pasting it onto copied and pasted onto the process flowsheet.
the Process Flowsheet
1 First, use the Plot Wizard to generate the plot of composition
profiles, and format it as you wish.

2 Select the plot and from the Edit menu, click Copy.
3 Click in an empty area of the process flowsheet.
4 From the Edit menu, click Paste.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-11
 5 Position and size the plot as needed.

Example of Pasting a Plot In this example, the plot copied in the previous example will be
into Another Application pasted into a Word document.
1 First, use the Plot Wizard to generate the plot of composition
profiles, and format it as you wish.
2 Select the plot, then from the Edit menu, click Copy.
3 Start Word, and open the file in which you want to paste the
plot.
4 Click in the Word document where you want to paste the plot.
5 From the Edit menu, click Paste.
Example of Pasting In this example, an Excel graph will be placed onto the Aspen Plus
Images From Other process flowsheet.
Windows Applications
Onto the Aspen Plus 1 First, generate the desired graph or image in another
Process Flowsheet application. In this case, a pie chart is created in Excel.
2 In Excel, select the graph, and from the Edit menu, click Copy.

37-12 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 3 Open the Aspen Plus simulation where you want to paste the
Excel graph.
4 Click on an empty area of the process flowsheet.
5 From the Edit menu in Aspen Plus, click Paste.
6 Move and resize the graph, and adjust the flowsheet view as
necessary.
The Excel graph now appears on the process flowsheet.

Creating Active Links Between Aspen

Plus and Other Windows
Applications
When copying and pasting information, you can create active links
between input or results fields in Aspen Plus and other applications
such as Word and Excel. The links update these applications as the
process model is modified to automatically propagate results of
engineering changes.
Creating Active Links To create active links between a result in Aspen Plus and another
Between an Aspen Windows application:
Plus Result and 1 Make sure you have both applications open:
another Windows
Application • Aspen Plus open with the completed simulation and results
available
• Another Windows application open with the file where you
wish to paste the active link to Aspen Plus results
2 Open the Aspen Plus results form containing the information to
be linked.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-13
 3 Select the desired results.
To select an individual field of data, simply click in the field.
To select multiple fields of data, hold down the Ctrl key while
clicking the mouse on multiple fields.
When copying values from a table, you can:
• Click-and-drag the mouse over a desired range of results
• Select an entire column of data by clicking the column
heading
• Select an entire row of data by clicking the row selector
button
• Select the entire table of data by clicking the button on the
top left corner of the table
4 From the Edit menu, click Copy (or Copy with Format). If you
choose Copy with Format, in the Copying dialog box, check
the items you want included with the value (Label, Units or
Basis), and click OK.
5 Go to the appropriate location in another Windows application,
where you wish to paste the active link.
6 From the Edit menu in the other application, choose Paste
Special.
7 In the Paste Special dialog box, click the Paste Link radio
button and make sure you are pasting as text by selecting Text
in the As box.
8 Click OK to close the Paste Special dialog box.
Now an active link has been established between Aspen Plus
(the source document) and another application.
9 When you exit, be sure you save both the Aspen Plus file and
the other application file. If you do not, the link will not work
when you open the files. If you save the link source file
(Aspen Plus in this case) with another name, you must save the
link container (other application file) after saving the
Aspen Plus run.
The link source is the program that is providing the data.
The link container is the program into which you paste the link.

37-14 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 Example of Creating In this example, RadFrac condenser duty results will be copied
Active Links from with units, and pasted into an Excel spreadsheet as an active link.
Aspen Plus Results into 1 Open the RadFrac ResultsSummary Summary sheet to view the
Excel results for condenser duty.

2 On the Summary sheet, click the result value for condenser

duty.
3 From the Edit menu, click Copy with Format.
4 In the Copying dialog box, check the Unit checkbox, then click
OK.

5 Open the Excel spreadsheet, and select the cell where you want
to create the link to the Aspen Plus results for condenser duty.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-15
 6 From the Edit menu in Excel, choose Paste Special.
7 In the Paste Special dialog box, click the Paste Link radio
button.
8 Select Text in the As: list, and click OK.
The condenser duty and units are copied into the specified
location.

The pasted value is an active link between Aspen Plus (the source
document) and the Excel spreadsheet (the destination document.)
As inputs are changed in the Aspen Plus model, and the simulation
is rerun to generate new results, the active link displayed in the
Excel spreadsheet will reflect the changes.
You can review the source of the link in Excel by selecting the
linked cell in Excel. The source will display in the Excel Formula
Bar below the toolbar.

37-16 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 You can view and modify the status of the link in Excel by
selecting Links from the Edit menu.
Creating Active Links In addition to creating active links from Aspen Plus to other
from a Windows applications, you can also create active links from other
Application to Aspen applications such as Word or Excel, to input fields within
Plus Input Fields Aspen Plus simulations. This can be used to create a simple
interface to your simulation models for non Aspen Plus users (e.g.
operators or other engineers.)
1 Make sure you have:
• Aspen Plus open at the completed simulation where you
will add the active link
• Another Windows application open at the source file from
where you will originate the active link to an Aspen Plus
input field
2 In the source file of the other application, select the
information to be linked. For example, in Excel, click in the
cell containing the data to be linked.
3 From the Edit menu in the other application, click Copy.
4 In Aspen Plus, open the appropriate input form, and select the
field where the information will be pasted to create the active
link.
5 From the Edit menu in Aspen Plus, click Paste Special.
6 In the Paste Special dialog box, click the Paste Link button and
ensure you are pasting as text by selecting Text in the As list.
7 Click OK to close the Paste Special dialog box.
Now an active link has been established between another
application (the source document) and Aspen Plus (the
destination document); if you change a value in the source
document, the change will be reflected on the appropriate
Aspen Plus input forms.
8 When you exit, ensure you save both the Aspen Plus file and
the other application file. If you do not, the link will not work
when you open the files. If you save the link source (the other
application in this case) with a different file name, you must
save the link container (Aspen Plus) after saving the other
application file.
Example of Creating a In this example, an active link will be established from Excel that
Link from Excel to an controls the reflux ratio of a column in Aspen Plus.
Aspen Plus Input Field
1 Open the Excel spreadsheet to display the data from where you
will establish the link (the source file.)
2 Select the cell containing the information that will be linked.
3 From the Edit menu in Excel, click Copy.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-17
 4 In the Aspen Plus simulation, open the RadFrac Setup
Configuration sheet, and select the field for the value of Reflux
Ratio.
5 From the Edit menu in Aspen Plus, click Paste Special.
6 In the Paste Special dialog box, click the Paste Link radio
button and make sure you are pasting as text by selecting Text
in the As list.
7 Click OK to close the Paste Special dialog box.
The reflux ratio displayed on the RadFrac Setup Configuration
sheet is now an active link to the source cell in the Excel
spreadsheet. Any changes made to the linked cell in the Excel
spreadsheet will automatically be reflected in the simulation
input.
To illustrate the effect of the active link established in this
example:
1 Open the Excel spreadsheet, and change the reflux ratio in the
linked cell from 8 to 10.
2 Open the RadFrac Setup Configuration sheet again, and note
that the new value for reflux ratio has been automatically
changed.

Saving and Opening Files with Active

Links
If you create active links between Aspen Plus and other Windows
programs, you must follow a few rules to ensure that the links
continue to work when you save files and open them again. You
should understand the following terms:
• The link source is the program that is providing the data.
• The link container is the program into which you paste the link.
For example, if you copy data from Aspen Plus and use Paste
Special to paste a link into Excel, Aspen Plus is the link source and
Excel is the link container.
See one of the following topics:
• Saving files with active links
• Opening files with active links

37-18 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 When you save files with active links:
Saving Files with
Active Links • Be sure to save both the link source file and the link container
file. If you do not, the link will not be there when you open the
files again.
• If you save the link source with a different name (for example,
using Save As), you must save the link container after saving
the link source. This is because the link container contains the
file name of the link source.
• If you have active links in both directions between the two
applications and you change the name of both files, you must
do three Save operations:
• Save the first application with a new name
• Save the second application with a new name
• Save the first application again
For example, if you have links in both directions between
Aspen Plus and Excel:
• Use Save As in Aspen Plus to save the run as MYRUN
• Go to Excel and use Save As
• Return to Aspen Plus and Save

Note: Links are saved when you save in Aspen Plus Document
format (.apw) or Aspen Plus Backup format (.bkp).

Opening Files with When you open the link source file, there is nothing special that
Active Links you need do.
When you open the link container file, you will usually see a
dialog box asking you if you want to re-establish the links.
Applications will behave differently or may show different dialog
boxes.
If you:
Click Then And
No The link will not be active Any changes you make
in the link source will
not be reflected in the
link container.
Yes Windows will re-establish the link and You will not see the
open the link source application in application on the
background. That is, the application Windows taskbar. You
will be open and running, but there might notice a pause as
will be no visible windows for the Windows activates the
application. application.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-19
 In some cases, when the link source is running in background, you
might want to make the application visible (have its windows
displayed) so that you can make changes.
Making the Link Source In some cases, when the link source is running in background, you
Visible might want to make the application visible (have its windows
displayed) so that you can make changes.
For example, you may be using Excel (as link source) to supply
feed stream data to an Aspen Plus simulation (the link container).
Normally, you can just open Aspen Plus, re-establish the links, and
run the simulation. But if you want to change the feed stream data
or add links to a another piece of data in the Excel spreadsheet, you
need to make Excel visible.
The method to make the link source application visible depends on
the application:
• For some applications, for example Aspen Plus and Microsoft
Word, you can open the file in the normal way using Open
from the File menu or double-clicking the file in Windows
Explorer.
• For other applications, like Excel, if you try to open the file in
the normal way, you will receive a message that the file is
locked or in use by another user. If you proceed and open the
file, you are actually working on another copy of the document
and links will not work properly.
Because of problems with some applications, follow this procedure
to make the link source application visible:
1 From the Edit menu in the link container application, select
Links.
The Links dialog box appears.

2 In the Links dialog box, select the source file and click Open
Source.
Now the link source application is visible. The application will
appear on the Windows taskbar.

37-20 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 Updating References in Microsoft Excel has an option which you must use to ensure that
Excel links are correctly re-established when you open files with active
links. To check the option:
1 In Excel, from the Tools menu, click Options.
2 In the Options dialog box, click the Calculations tab.
3 Ensure the Update Remote References checkbox is selected.
There is also an option to Save External Link Values. This
controls the behavior of Excel when you have links but do not
re-establish them when you open the file or the links become
broken.
If this option is Excel will display
Selected The last value it had before the link was broken
Clear An error

Using Embedded Objects in the

Process Flowsheet Window
You can embed other applications as objects in the Process
Flowsheet window.
For example, you can embed a Word document or an Excel
spreadsheet into the Process Flowsheet window. There are two
ways you can do this:
• Using Copy and Paste
• Using the Insert dialog box
Embedding an Object To embed an object using Copy and Paste:
Using Copy and 1 In the source application, select the data, text, or other object
Paste you want to embed.
2 From the Edit menu of the source application, click Copy.
3 Go to Aspen Plus and make sure that the Process Flowsheet
Window is the current window:
If you are using You should
Workbook mode Click the Process Flowsheet tab
Flowsheet as Click the flowsheet in the background
Wallpaper
Normal View Select the Process Flowsheet window
4 In Aspen Plus, from the Edit menu, click Paste.
Embedding an Object To embed an object using the Insert Object dialog box:
Using the Insert 1 In Aspen Plus, ensure that the Process Flowsheet Window is
Object Dialog Box the current window.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-21
 If you are using You should
Workbook mode Click the Process Flowsheet tab
Flowsheet as Wallpaper Click the flowsheet in the background
Normal View Select the Process Flowsheet window
2 From the Edit menu, point to Insert, then New Object.
3 To embed a new object, click Create New and in the Object
Type list, select the application or object.
To embed an object from an existing file, select Create From
File and specify the file.
Modifying an You can modify an embedded object:
Embedded Object

To Do this
Edit the object Double-click on the object.
using the source – or –
application within 1. Click the object to select it
Aspen Plus 2. Click the right mouse button.
3. On the popup-menu, point to Objecttype Object, then Edit.
The menus and toolbar in Aspen Plus are replaced with those of the source
application. You can edit the object. When you are done, click anywhere in the
Process Flowsheet Window to exit the application.
Activate the 1. Click the object to select it
source application 2. Click the right mouse button.
to edit the object 3. On the popup-menu, point to Objecttype Object, then Open.
The source application opens in another window. You can edit the object. When you
exit the application, the object is updated in Aspen Plus.
Move the object 1. Click the object to select it.
The mouse pointer becomes the move shape
2. Click and hold the left mouse button while dragging the object
Resize the object 1. Click the object to select it.
2. Move the mouse to the edge or corner of the object.
The mouse pointer becomes to the resize shape
3. Hold down the left mouse button and drag the cursor until the object is the desired
size.
Attach the object 1. Click the object to select it.
to a block or 2. Click the right mouse button.
stream in the 3. On the popup menu, click Attach.
flowsheet 4. Click the block or stream in the flowsheet.
The object is now attached to the selected block or stream. If the block or stream is
later moved to another location in the flowsheet, the image will maintain its spatial
arrangement with respect to the block.
Objecttype will depend on the source application.

37-22 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 Embedded objects are saved as part of a run only when you save in
Saving a Run With an
Aspen Plus Document format (.apw files). When you save in
Embedded Object
Backup format (.bkp files), the embedded object is not saved.

Aspen Plus 11.1 User Guide Working with Other Windows Programs • 37-23
37-24 • Working with Other Windows Programs Aspen Plus 11.1 User Guide
 C H A P T E R 38

Using the Aspen Plus ActiveX

Automation Server

Overview
See one of the following topics for help on the Aspen Plus ActiveX
Automation Server:
• About the Automation server
• Viewing the properties and methods of Aspen Plus objects
• Objects exposed by the Automation server
• Using the Variable Explorer to navigate the tree structure
• Navigating the tree structure in the Automation interface
• Data values and Node attributes
• Physical quantities and Units of Measure
• Referencing non-scalar data
• Flowsheet connectivity and automation
• Controlling the user interface
• Controlling a simulation problem
• Exporting files
• Members of Aspen Plus classes
This topic assumes that you are familiar with Visual Basic and
understand the concepts of object-oriented programming.
The examples in this topic use Visual Basic 5.0 and Visual Basic
for Applications (VBA) as the Automation Client. Examples are
based on the pfdtut example problem which is provided with the
standard Aspen Plus installation as a backup file named [Link].
If you installed Aspen Plus in the default location, this file is in
C:\Program Files\AspenTech\Aspen Plus 11.1\GUI\xmp.

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-1
 If you installed Aspen Plus in the default location, the Visual Basic
examples in this topic are located in
C:\Program Files\AspenTech\Aspen Plus 11.1\GUI\vbexample.

About the Automation Server

The Aspen Plus Windows user interface is an ActiveX Automation
Server. The ActiveX technology (also called OLE Automation)
enables an external Windows application to interact with
Aspen Plus through a programming interface using a language
such as Microsoft’s Visual Basic. The server exposes objects
through the COM object model.
With the Automation interface, you can:
• Connect both the inputs and the results of Aspen Plus
simulations to other applications such as design programs or
databases.
• Write your own user interface to an Aspen Plus plant model.
You can use this interface to distribute your plant model to
others who can run the Aspen Plus model without learning to
use the Aspen Plus user interface.
Using the Automation In order to use the Aspen Plus Automation Server, you must:
Server • Have Aspen Plus installed on your PC
• Be licensed to use Aspen Plus
Aspen Plus and Aspen Properties now share the same type library,
[Link], which is located in the APrSystem GUI\xeq directory. If
you installed the APrSystem in the default directory, this will be:
C:\Program Files\AspenTech\APrSystem 11.1\GUI\xeq
The out-of-process server is [Link]. An in-process server
[Link] is also available.
Before you can access the Aspen Plus type library from Visual
Basic, in the Visual Basic Project References dialog box, you must
check the Aspen Plus GUI 11.1 Type Library box.
Before you can access the Aspen Plus type library from Excel
VBA, in the Excel Tools | References dialog box, you must check
the Aspen Plus GUI 11.1 Type Library box.
If Aspen Plus GUI 11.1 Type Library does not exist in the list,
click Browse and find [Link] in the directory listed above.
Error Handling Errors may occur in calling methods or accessing properties of the
Aspen Plus objects. It is important to create an error handler for all
code which accesses an automation interface. An automation

38-2 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 interface may return a dispatch error for many reasons, most of
which do not indicate fatal or even serious errors.
Unless there is an error handler in place any error will normally
cause a dialog box to be displayed on the user’s screen. In VB the
error handler is in the form of an On Error statement, e.g. On Error
Goto <line>. It is usual to create an error handling subroutine
which will tidy up and exit the application cleanly if any severe
errors are encountered.

Viewing the Properties and Methods

of Aspen Plus Objects
The properties and methods of the Aspen Plus objects may be
viewed in the Automation Client Object Browser:
In Visual Basic 5 and Excel, from the View menu, click Object
Browser.
In Excel, the Module sheet must be active for this menu item to be
present.
Most of the properties of Aspen Plus objects may be set through
the Automation interface to modify the simulation problem.
However some properties of simulation objects are read-only. If a
property is read-only this is shown in the VB Object Browser, but
not in the Excel VBA Object Browser.
Objects Exposed by The objects exposed by Aspen Plus are the HappLS (also called
Aspen Plus IHapp) and HappIP objects. These are the only object types that
the class Happ supports. An Aspen Plus application object may be
declared as an IHapp object or a HappLS object. An in-process
Aspen Plus object may be declared as a HappIP object. Through
one of these objects, the other objects and their properties and
methods may be accessed.
The objects exposed by Aspen Plus are as follows:
Object Description
HappLS The Aspen Plus client object
HappIP The Aspen Plus in-process client object
IHNode The Aspen Plus problem input and results data are
exposed as a tree structure composed of IHNode objects
IHNodeCol Each IHNode object may own other nodes, and these are
organized in an IHNodeCol collection object
IHAPEngine This object provides an interface to the Aspen Plus
simulation engine

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-3
 The following code illustrates a method for creating a new Aspen
Plus simulation from the automation interface:
Dim MyAspenPlus As Object
Set MyAspenPlus = CreateObject("[Link]")
MyAspenPlus.InitNew2
’ Do stuff with Aspen Plus
’ When done with Aspen Plus:
Set MyAspenPlus = Nothing

The HappLS and HappIP The HappLS (IHapp) and HappIP objects are the principal objects
Objects exposed by Aspen Plus. These objects provide methods and
properties such as:
• Opening a simulation problem
• Controlling the visibility of the Aspen Plus GUI
• Saving a problem
• Outgoing events
Example of Opening A The following VB example obtains the simulation object for an
Simulation existing simulation problem stored in the backup file [Link],
and sets the Visible property to display the Aspen Plus graphical
user interface.
Function OpenSimulation() As HappLS
Dim ihAPSim As HappLS
On Error GoTo ErrorHandler
’ open existing simulation
Set ihAPSim = _
GetObject("C:\Aspen Plus 11.1\GUI\xmp\[Link]")
’ display the GUI
[Link] = True
Set OpenSimulation = ihAPSim
Exit Function
ErrorHandler:
MsgBox "OpenSimulation raised error " & Err & ": " & Error(Err)
End
End Function

The effect of the GetObject reference is to create a process running

the [Link] object server. Any references to the same problem
file from the same or other processes will connect to the same
running instance of the Apwn server.

38-4 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Example of Starting The following VB example obtains the simulation object for an
Aspen Plus as an In- existing simulation problem stored in the backup file [Link],
Process Server while loading Aspen Plus as an in-process server, then illustrates
the proper way to shut down the in-process server to allow for
reuse by the same process.
Private Sub Command1_Click()
Dim aspen As HappIP

Set aspen = CreateObject("[Link]")

aspen.InitFromArchive2 "C:\Aspen Plus 11.1\GUI\xmp\[Link]", 0
[Link] = True

’ Close Aspen Plus

[Link]
Set aspen = Nothing

’ VB won’t try to unload libraries until it unloads

’ the form. The Aspen Plus dll needs to be unloaded
’ before reuse by this process.
CoFreeUnusedLibraries

End Sub

The final step, calling CoFreeUnusedLibraries, is needed to allow

[Link] to be unloaded. This allows global variables to be
reinitialized if it is loaded again by the same executable.
The Aspen Plus Tree The input and results data in an Aspen Plus simulation problem are
Structure organized in a tree structure.
In order to access the data of interest in an Aspen Plus simulation,
you need to understand and navigate through the tree structure and
locate and identify the variables of interest. To do this, you can use
the Variable Explorer in the Aspen Plus User Interface.

Using the Variable Explorer to

Navigate the Tree Structure
Use the Variable Explorer to view and access variables associated
with your simulation. The Variable Explorer displays the attributes
of each variable in the simulation in a similar way to the Data
Browser.
To open the Variable Explorer:
• From the Tools menu, click Variable Explorer.

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-5
 The Variable Explorer displays a tree view similar to the Data
Browser. The difference is that the Data Browser displays the
variables conveniently grouped and laid out on forms with prompt
text, scrolling controls, selection boxes and fields for data entry.
The Variable Explorer exposes the underlying variables within the
simulation problem.
The Variable Explorer is important to the Automation user because
it shows the names and the structure of the variables which may be
accessed through the Automation interface.

Note: The Variable Explorer is read-only. You cannot use the

Variable Explorer to change values or other attributes of variables.
If you navigate through the tree structure in the Variable Explorer,
it is possible to create new objects which you may not be able to
delete. For this reason, you should save your Aspen Plus run
before using the Variable Explorer and not save it after you use the
Variable Explorer.

Example of Using the This example gives instructions for using the Variable Explorer to
Variable Explorer access data in the RadFrac block (Block B6) in [Link].
1 From the Tools menu, click Variable Explorer to open the
Variable Explorer.
The tree view on the left displays just the node labeled Root.

38-6 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 2 Double-click on the Root folder icon or click on the + icon to
display the nodes immediately below this: Data, Unit Table and
Settings.
3 Expand Data to display the next level of nodes: Setup through
to Results Summary.
4 Expand the Blocks icon to reveal a list of blocks on the
flowsheet: B1 through B6.
5 Expand B6 to display nodes labeled Input through to Work
Results.
6 Expand Input to display a list of nodes labeled Unit Set through
to Y_EST.
These nodes represent the simulation input data for the
RadFrac block. For example, below the Input node, the node
labeled NSTAGE holds the input value for the number of
stages in the column.
7 Click on the Output node to display a list of nodes labeled Unit
Set through Y_MS.
These nodes represent the output data for the RadFrac block.
For example, below the Output node, the node labeled
BU_RATIO holds the result value for the boilup ratio.
The Path to Node field of the Variable Explorer displays the
path to the node which is currently open. From this field, you
can copy and paste directly into your program. To do this,
complete these steps:
8 Select the text in the Path to Node field, then click the right
mouse button.
9 From the menu that appears, click Copy.
10 Go to your application (for example, Visual Basic or the Excel
Module sheet).
11 From the Edit menu, click Paste.

Navigating the Tree Structure in the

Automation Interface
The tree structure observed in the Data Browser is reflected in the
Automation interface.
The objects in an Aspen Plus simulation are exposed as a tree
structure of IHNode node objects. The root node of the tree is
obtained by the Tree property of HappLS.
Each IHNode object may have zero or more offspring IHNode
objects. Each IHNode object has a Dimension property which

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-7
 determines how the offspring nodes are organized. A leaf node (i.e.
one with no offspring) has a Dimension of zero.
The offspring nodes of a node object may be obtained as a
collection object, IHNodeCol from the Elements property of an
IHNode object.
To illustrate this, consider this example.
Example to Illustrate
a Collection Object
Sub GetCollectionExample(ihAPsim As HappLS)
’ This example illustrates use of a collection object
Dim ihRoot As ihNode
Dim ihcolOffspring As IHNodeCol
Dim ihOffspring As ihNode
Dim strOut As String
On Error GoTo ErrorHandler
’get the root of the tree
Set ihRoot = [Link]
’now get the collection of nodes immediately below the Root
Set ihcolOffspring = [Link]
For Each ihOffspring In ihcolOffspring
strOut = strOut & Chr(13) & [Link]
Next
MsgBox "Offspring nodes are: " & strOut, , "GetCollectionExample"
Exit Sub
ErrorHandler:
MsgBox "GetCollectionExample raised error" & Err & ": " & Error(Err)
End Sub

The collection object ihcolOffspring contains the collection of

nodes immediately below the root, i.e. those nodes with the labels
Data, Unit Table and Settings as observed in the Variable Explorer.
Nodes within each collection object may be accessed in one of two
ways:
• You can iterate through the collection object using a For Each
… Next structure, accessing each node in turn.
• You can access a node explicitly using the Item property of the
IHNodeCol object. In order to identify a particular item in a
collection, the Item property takes one or more arguments.
Each argument is either a string specifying the label or item
name of an offspring node in the next level of the tree, or an
integer specifying the ordinal number of the node in the
collection of offspring nodes. The number of arguments
required to the Item property is given by the Dimension
property of the parent.
Thus:
For Each ihOffspring In ihcolOffspring
.
.
.
Next

38-8 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 iterates through each node in the ihcolOffspring collection, and
Set ihDataNode = [Link]("Data")

obtains the node with the label "Data". Note that the item names
are case sensitive.
The Dimension property determines the number of arguments
required:
if [Link] = 1 then
Set ihDataNode = [Link]("Data")
else if [Link] = 2 then
Set ihDataNode = [Link]("Data","id2")
endif

The Item property is the default property of IHNodeCol, so this

statement may be abbreviated simply by writing:
Set ihDataNode = ihcolOffspring("Data")

Dot Notation for To navigate down the tree you can chain the Item property
Navigating the Tree references together. For example, to get to the node labeled
NSTAGE which represents the number of stages in a RadFrac
block:
Set ihNStageNode = [Link]("Data"). _
Elements("Blocks").Elements("B6"). _
Elements("Input").Elements("NSTAGE")

A more concise notation is also available to navigate down the

tree. This simply allows the item names to be chained together,
without specifying either the Elements or the Item properties. For
example, the above assignment may be written:
Set ihNStageNode = [Link]

However, although this ’dot’ notation is convenient in many

situations it has some restrictions:
• It will only work if the item names are consistent with the
syntax of an identifier within the language used by the
automation client, in this example Visual Basic. So the item
name must not contain embedded spaces or special characters.
For example the item name "Unit Table" would be invalid in
this notation.
• Certain node types do not support the dot notation. The node
types that do not support dot notation are connection, port,
setting table, route, label, & unit table.

Data Values
Once you have the leaf node containing the data value of interest,
you can obtain the data value associated with the node from the
Value property. Data values have an associated data type which is
held in the ValueType property.

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-9
 ValueType returns one of the following:
ValueType Description Visual Basic Data Type
0 Value not defined
1 Integer Long
2 Real Double
3 String String
4 Node IHNode
Note that Aspen Plus returns 32bit integer and 64bit real values.
Therefore when using Visual Basic, integer and real valued
properties should be assigned to Long and Double variables
respectively in order to avoid potential overflow errors.
Example of Navigate to and display the number of stages in a RadFrac column
Accessing Data (an input data value) and the boilup ratio (a results data value) in a
Values message box.
Sub GetScalarValuesExample(ihAPsim As HappLS)
’ This example retrieves scalar variables from a block
Dim ihColumn As ihNode
Dim nStages As Long
Dim buratio As Double
On Error GoTo ErrorHandler
’ navigate the tree to the RADFRAC block
Set ihColumn = [Link].B6
’ Get the number of stages
nStages = [Link]("NSTAGE").Value
’ get the boilup ratio
buratio = [Link]("BU_RATIO").Value
MsgBox "Number of Stages is: " & nStages _
& Chr(13) & "Boilup Ratio is: " & buratio, , "GetScalarValuesExample"
Exit Sub
ErrorHandler:
MsgBox "GetScalarValuesExample raised error" & Err & ": " & Error(Err)
End Sub

38-10 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Node Attributes
You can obtain information called attributes about the node from
the AttributeValue and AttributeType properties. These take an
attribute number argument which is an enumerated value from
the HAPAttributeNumber class.
See these topics to see some commonly used attributes and their
descriptions.
The Attribute Name corresponds to the field in the Variable
Explorer.
• Value-related Attributes
• Meta-data Attributes for Records
• Attributes for Variable Nodes
• Attributes for Multi-dimensioned Variables Nodes
• Flowsheet Connectivity Port Attributes
• Other attributes
You can see the full range of possible values and descriptions in
the Object Browser of your Automation client (e.g., VB5). In
general, you will only need a small subset of the attributes.
Each node typically only supports a subset of the attributes. You
can check whether an attribute is supported by querying the
AttributeType for the attribute. The attribute types returned are as
shown above for ValueType. If the AttributeType property returns
a value of zero for an attribute then the attribute is not defined for
that node.
Value-related This table shows commonly used value related attributes:
Attributes

Attribute HAP_AttributeNumber Description

Name
Value HAP_VALUE The current value
Physical HAP_UNITROW The row in the Unit Table for the physical quantity of the
Quantity value
Units of HAP_UNITCOL The column in the Unit Table for the physical quantity of the
Measure value
Basis HAP_BASIS The basis e.g. MOLE or MASS for a value
Option List HAP_OPTIONLIST A node whose offspring contain the valid values for this node

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-11
 This table shows commonly used meta-data attributes for records:
Meta-data Attributes
for Records
Attribute HAP_AttributeNumber Description
Name
Record Type HAP_RECORDTYPE If the node is record structured, e.g. a block or a stream, this
property is a string containing the record type, e.g
RADFRAC for a RADFRAC block and MATERIAL for a
material stream.
Completion HAP_COMPSTATUS Returns an integer code giving completion status. Bit masks
Status for interpretation are available in the enum
HAPCompStatusCode.
Attributes for This table shows commonly used attributes for variable nodes:
Variable Nodes

Attribute Name HAP_AttributeNumber Description

Output HAP_OUTVAR Is the variable node a results variable (read-only)
Enterable HAP_ENTERABLE Can the value attribute be modified?
Upper Limit HAP_UPPERLIMIT The upper limit on the value attribute.
Lower Limit HAP_LOWERLIMIT The lower limit on the value attribute.
Default Value HAP_VALUEDEFAULT The default value for the value attribute.
Prompt HAP_PROMPT A descriptive prompt for the node.
Attributes for Multi- This table shows commonly used attributes for multi-dimensioned
dimensioned variables nodes:
Variables Nodes

Attribute Name HAP_AttributeNumber Description

First Scrolled Pair HAP_FIRSTPAIR If the variable uses paired scrolling, the 1 based index
of the first item of the pair.

38-12 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 This table shows commonly used flowsheet connectivity port
Flowsheet
attributes:
Connectivity Port
Attributes
Attribute Name HAP_AttributeNumber Description
In or Out HAP_INOUT Is the port node an inlet or outlet?
For blocks
0 = Inlet
1 = Outlet
For Streams:
0 = Outlet
1 = Inlet
Gender HAP_PORTSEX Block or Stream port type:
0 = Stream
1 = Block
Multiport HAP_MULTIPORT Can the port node be connected to multiple streams?
0=No
1=Yes
Port Type HAP_PORTTYPE The type of the port node.
1 = Material
2 = Heat
3 = Work
Other Attributes This table shows a commonly used attribute:
Attribute Name HAP_AttributeNumber Description
Has Children HAP_HASCHILDREN Returns True if the node has offspring nodes.

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-13
 The following example subroutine uses AttributeValue to display a
Example of Using
list of blocks showing the block type, flowsheet section, and status
AttributeValue
for each block.
Sub ListBlocksExample(ihAPSim As HappLS)
’ This example ilustrates retrieving a list of blocks and their attributes
Dim ihBlockList As IHNodeCol
Dim ihBlock As ihNode
Dim strOut As String
On Error GoTo ErrorHandler
Set ihBlockList = [Link]
strOut = "Block" & Chr(9) & "Block Type" _
& Chr(9) & "Section " & Chr(9) & "Results status"
For Each ihBlock In ihBlockList
strOut = strOut & Chr(13) & [Link] & Chr(9) & _
[Link](HAP_RECORDTYPE) & " " & Chr(9) & _
[Link](HAP_SECTION) & Chr(9) & _
Status([Link](HAP_COMPSTATUS))
Next ihBlock
MsgBox strOut, , "ListBlocksExample"
Exit Sub
ErrorHandler:
MsgBox "ListBlocksExample raised error" & Err & ": " & Error(Err)
End Sub

Function Status(CompStat As Integer) As String

’ This function interprets a status variable and returns a string

If ((CompStat And HAP_RESULTS_SUCCESS) = HAP_RESULTS_SUCCESS) Then

Status = "Success"
ElseIf ((CompStat And HAP_RESULTS_ERRORS) = HAP_RESULTS_ERRORS) Then
Status = "Errors"
ElseIf ((CompStat And HAP_RESULTS_WARNINGS) = HAP_RESULTS_WARNINGS) Then
Status = "Warnings"
ElseIf ((CompStat And HAP_NORESULTS) = HAP_NORESULTS) Then
Status = "No results"
ElseIf ((CompStat And HAP_RESULTS_INCOMPAT) = HAP_RESULTS_INCOMPAT) Then
Status = "Incompatible with input"
ElseIf ((CompStat And HAP_RESULTS_INACCESS) = HAP_RESULTS_INACCESS) Then
Status = "In access"
End If
End Function

This example displays the following message box.

38-14 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Physical Quantities and Units of
Measure
For a value which represents a physical quantity, there are two
important attributes:
• The physical quantity (for example, temperature or pressure)
• The units of measurement in which the physical quantity is
expressed (for example, degrees Kelvin or degrees Fahrenheit)
The following sections describe how to:
• Retrieve the physical quantity and the units for a value
• Convert a value to a different units of measurement
• Change the units in the Aspen Plus run
Retrieving Units of You can retrieve:
Measure • Units of measure for a value as a string
• Physical quantity and units of measure as references to the Unit
Table
Units of Measure as a The unit of measurement symbol for a value can be obtained from
String the UnitString property.
Example of Using Units of Measure

The following subroutine uses the UnitString property to display

the outlet pressure of a flash block together with the unit of
measurement.
Sub UnitStringExample(ihAPSim As HappLS)
’ This example retrieves the units of measurement symbol
’ for a variable
Dim ihPresNode As ihNode
On Error GoTo ErrorHandler
Set ihPresNode = [Link].B_PRES
MsgBox "Flash pressure is: " & [Link] & Chr(9) & _
[Link], , "UnitStringExample"
Exit Sub
ErrorHandler:
MsgBox "UnitStringExample raised error " & Err & ": " & Error(Err)
End Sub

The Units Table Physical quantities and the corresponding units of measurement are
described in Aspen Plus by references to a Unit Table. Sometimes
it is convenient to use the units table directly, instead of dealing
with the UnitString of a particular value.
The unit table consists of rows representing physical quantities
and columns representing the units of measurement in which the
quantities can be expressed. The unit table is exposed in the
automation interface below the root node as a node labeled "Unit
Table". The elements in the collection below the Unit Table node
represent the rows of the table i.e. physical quantities. The labels of

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-15
 these nodes are the names of the physical quantities. Below each
physical quantity node is a collection of nodes whose labels are
strings representing the symbols of the units of measurement in
which the owning physical quantity may be expressed.
For a node in the tree containing a physical value, the physical
quantity, or Unit Table row number, is obtained by reference to the
property AttributeValue(HAP_UNITROW). The unit of
measurement symbol, or Unit Table column number, is referenced
by the property AttributeValue(HAP_UNITCOL). Note that the
attribute values are actual row and column numbers and that when
referencing the row numbers with the Unit Table collections, you
must subtract one from these values.
Converting the Units You can retrieve a value in a specific unit with the ValueForUnit
of Measure for a property. The ValueForUnit property takes two arguments, the
Value desired unit row and the desired unit column.
Example of Converting Units of Measure

Retrieve the pressure of block B3, both in the units specified in the
run (psi) and in atm. atm is column 3 in the Unit Table.
Sub UnitsConversionExample(ihAPSim As HappLS)
’ This example retrieves a value both in the display units and an alternative
Dim ihPres As ihNode
Dim nRow As Long
Dim nCol As Long
Dim strDisplayUnits As String
Dim strConvertedUnits As String
On Error GoTo ErrorHandler
Set ihPres = [Link].B_PRES
’ retrieve the attributes for the display units (psi)
nRow = [Link](HAP_UNITROW)
nCol = [Link](HAP_UNITCOL)
strDisplayUnits = UnitsString(ihAPSim, nRow, nCol)
’select the alternative unit table column (atm)
nCol = 3
strConvertedUnits = UnitsString(ihAPSim, nRow, nCol)
MsgBox "Pressure in Display units: " & [Link] & _
" " & strDisplayUnits & Chr$(13) & _
"Pressure in Converted units: " & _
[Link](nRow, nCol) & " " & strConvertedUnits, _
, "UnitsConversionExample"
Exit Sub
ErrorHandler:
MsgBox "UnitsConversionExample raised error " & Err & ": " & Error(Err)
End Sub
Public Function UnitsString(ihAPSim As IHApp, nRow As Long, nCol As Long)
’ This function returns the units of measurement symbol given
’ the unit table row and column
On Error GoTo UnitsStringFailed
UnitsString = [Link]("Unit Table"). _
Elements(nRow - 1).[Link](0, nCol - 1)
Exit Function
UnitsStringFailed:
UnitsString = ""
End Function

38-16 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Changing the Units of You can use the HAP_UNITCOL attribute to directly change the
units of measurement in the Aspen Plus run.
Measure for the
Aspen Plus Run Changing the HAP_UNITCOL attribute value has a different effect
depending on whether the value in an Input or Output value, as
follows:
• Changing the HAP_UNITCOL attribute of an output value will
convert the retrieved output value into the selected unit of
measurement. This is equivalent to changing the units on a
Results sheet in the Aspen Plus GUI.
• Changing the HAP_UNITCOL attribute for an input value
node will change the input specification units. It does not
convert the value into the selected unit of measurement. This
is equivalent to changing the units on an Input sheet in the
Aspen Plus GUI.
Sub UnitsChangeExample(ihAPsim As HappLS)
Example of Changing Dim ihPres As ihNode
Units of Measure On Error GoTo ErrorHandler
Set ihPres = [Link].B_PRES
MsgBox "Pressure in default units: " _
& [Link] _
& Chr(9) & [Link]
’ change units of measure to bar
[Link](HAP_UNITCOL, True) = 5
MsgBox "Pressure in selected units: " _
& [Link] _
& Chr(9) & [Link]
Exit Sub
ErrorHandler:
MsgBox "UnitsChangeExample raised error " & Err & ": " _
& Error(Err)
End Sub

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-17
 Referencing Non-Scalar Variables in
the Automation Interface
Most of the data in a simulation problem is organized into arrays,
lists or tables, and therefore is contained in multi-valued variables.
Non-scalar data is accessed through the automation interface one
value at a time via the Value property of a leaf node. The
organization of the nodes which yield the values depends both
upon on the number of identifiers required to identify the value,
and upon the context. For example:
• A value in a column temperature profile requires the variable
name and one additional identifier: the stage number.
• A value in a column composition profile requires the variable
name and two additional identifiers: the stage number and the
component
• A reaction coefficient within a reactor requires the variable
name and three additional identifiers: the reaction number, the
component and the substream
Once a multi-valued variable node is located, selection of
identifiers to reach the required individual value involves
traversing down the tree. In some cases a single node traversal
represents selection of a single identifier. In other cases traversal of
a node represents selection of more than one identifier. Each node
has the property Dimension. If the value of Dimension is > 0 then
the node has offspring. The value of the Dimension property for a
node determines the number of identifiers associated with an
offspring of that node. Dimensions are referenced by an offset; the
first dimension number is zero and the last dimension number is
the value of the Dimension property minus one.
Offspring nodes are obtained in one of two ways:
• Using an iterator to loop through the collection object. For
example, using a For Each loop in Visual Basic.
• Using the Item property of the collection object and specifying
an argument for each Dimension of the collection. The
argument may be either:
• An integer Location (also known as RowNumber) which
represents the ordinal number within the dimension. The
first Location in each dimension is numbered zero.
• A string Label which identifies the offspring node within
in the Dimension

38-18 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 For each dimension you can obtain the number of valid locations
or labels from the RowCount property of the collection.

Note: Collections are not guaranteed to be in any particular order.

If it is important to you to access the items in a collection in a
particular order, use the string Labels of the items to access each
one in its proper order. Use For Each loops or loops over the
integer Location values only when you need to process all
elements of a collection and order is not important.

Accessing Variables The temperature profile in a RadFrac column is an example of a

With a Single variable with a single identifier. For the pfdtut simulation results,
Identifier: Column the temperature profile is displayed in the Data Browser in tabular
Temperature Profile form under Blocks>B6>Profiles>TPFQ.
The same information is located in the Variable Explorer under the
Root>Data>Blocks>B6>Output>B_TEMP variable node. Under
this node there are fifteen leaf nodes labeled 1 through 15,
corresponding to the temperatures on the stages.

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-19
 Example Showing How to To obtain the B_TEMP variable node:
Set ihTVar =[Link].B_TEMP
Access Column
Temperature Profile Next, create a simple iteration loop to access the offspring nodes
through the Automation representing the stages.
Interface For Each ihStage In [Link]
.
.
Next ihStage

The identifier representing the stage number is retrieved by the

Name property of the stage node. The temperature value is
retrieved from the Value property of the stage node.
Sub TempProfExample(ihAPsim As HappLS)
’ This example retrieves values for a non-scalar variable
’with one identifier
Dim ihTVar As ihNode
Dim ihStage As ihNode
Dim strOut As String
On Error GoTo ErrorHandler
Set ihTVar = [Link].B_TEMP
strOut = [Link](0) & Chr(9) _
& [Link]
For Each ihStage In [Link]
strOut = strOut & Chr(13) & [Link] _
& Chr(9) & Format([Link], "###.00") _
& Chr(9) & [Link]
Next ihStage
MsgBox strOut, , "TempProfExample"
Exit Sub
ErrorHandler:
MsgBox "TempProfExample raised error " & Err & ": " _
& Error(Err)
End Sub

38-20 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 The liquid composition profile for RadFrac is an example of a
Accessing Variables
variable with two identifiers. For the pfdtut simulation results, the
with 2 Identifiers:
variable X in the Variable Explorer tree view is shown in this
Column Composition
diagram.
Profile

The first level of nodes below the variable X represents the stages
in the column and each node has the Name property set to the stage
number. The second level of nodes contains the nodes for each of
the component compositions and the Name property of these nodes
is the component id. The Value property of the second level node
is the composition of the component in the stage represented by the
first level node.
The following code fragment illustrates how to retrieve the
component compositions from this structure. It contains two nested
loops which iterate through the levels to access the value nodes.
Public Sub CompProfExample(ihAPsim As HappLS)
’ This example retrieves values for a non-scalar variable with two
’ identifiers
Dim ihTrayNode As ihNode
Dim ihXNode As ihNode
Dim ihCompNode As ihNode
Dim strOut As String
On Error GoTo ErrorHandler
Set ihXNode = [Link]("X")

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-21
 For Each ihTrayNode In [Link]
For Each ihCompNode In [Link]
strOut = strOut & Chr(13) & [Link] & _
Chr(9) & [Link] & Chr(9) & _
[Link]
Next ihCompNode
Next ihTrayNode
MsgBox strOut, , "CompProfExample"
Exit Sub
ErrorHandler:
MsgBox "CompProfExample raised error " & Err & ": " & Error(Err)
End Sub

Accessing Variables The Variable Explorer tree view for the the RStoic reactor block
With 3 Identifiers: B2 in the pfdtut simulation is shown in this diagram.
Reaction Coefficients

In the RStoic reactor model, the stochiometric coefficients of the

reactions are held in the input variables COEF and COEF1 which
represent the reaction coefficients for the reactants and products,
respectively.
Both these nodes have a list of offspring nodes, each of which
represents a reaction equation.
As this block has only one reaction, both COEF and COEF1 have
just one offspring node labeled "1" representing the single reaction
with the reaction number "1".

38-22 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 The reaction node has two dimensions so the Dimension property
of this node returns a value of 2. There are two identifiers
associated with each offspring. The identifier for the first
dimension is the component of the reactant. The identifier for the
second dimension is the substream, in this case the MIXED
substream.
The reaction node is an example of a node which uses paired
scrolling of identifiers. Here the only significant offspring nodes
are those with the same row number in each dimension. The
existence of paired scrolling may be determined from the value of
the property AttributeValue (HAP_FIRSTPAIR). If the node uses
paired scrolling of offspring, this property returns the 1-based
index of the first item of the scrolling pair.
The following example code shows how to retrieve the coefficients
under the COEF node together with the associated identifiers. Note
that because paired scrolling is used, only the nodes with the same
value of location in each dimension are accessed.
Sub ReacCoeffExample(ihAPsim As HappLS)
’ This example illustrates retrieving values for a non-scalar variable
’ with three identifiers
Dim ihReacNode As ihNode
Dim ihCoeffNode As ihNode
Dim intOff As Long
Dim strHeading As String
Dim strTable As String
Dim nReacCoeff As Integer
On Error GoTo ErrorHandler
Set ihCoeffNode = [Link]
’ loop through reaction nodes
For Each ihReacNode In [Link]
strHeading = [Link](0) _
& Chr(9) & [Link](0) _
& Chr(9) & [Link](1)
nReacCoeff = [Link](0)
’ loop through coefficient nodes retrieving component and substream
’ identifiers and coefficient values
For intOff = 0 To nReacCoeff - 1
strTable = strTable & Chr(13) & [Link] & Chr(9) _
& Chr(9) & [Link](0, intOff) & Chr(9) _
& Chr(9) & [Link](1, intOff) & Chr(9) _
& Chr(9) & [Link](intOff, intOff).Value
Next intOff
MsgBox strHeading & strTable, , "ReacCoeffExample"
Next ihReacNode
Exit Sub
ErrorHandler:
MsgBox "ReacCoeffExample raised error " & Err & ": " & Error(Err)
End Sub

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-23
 Flowsheet Connectivity and
Automation
The connections between blocks and streams in the flowsheet may
be accessed via the Automation server. In addition, these
connections may be modified, and blocks and streams may be
added or deleted.
Accessing Flowsheet The Port and Connection nodes of both Block and Stream nodes
Connectivity hold information about their ports and what is connected to the
ports.
This code sample displays a table showing source and destination
Example Code
blocks and ports for all streams in the flowsheet.
Showing Flowsheet
Connectivity

Sub ConnectivityExample(ihAPsim As HappLS)

’ This example displays a table showing flowsheet connectivity
Dim ihStreamList As ihNode
Dim ihBlockList As ihNode
Dim ihDestBlock As ihNode
Dim ihSourceBlock As ihNode
Dim ihStream As ihNode
Dim strHeading As String
Dim strTable As String
Dim strDestBlock As String
Dim strDestPort As String
Dim strSourceBlock As String
Dim strSourcePort As String
Dim strStreamName As String
Dim strStreamType As String

On Error GoTo ErrorHandler

Set ihStreamList = [Link]
Set ihBlockList = [Link]

strHeading = "Stream" & Chr(9) & "From" _

& Chr(9) & Chr(9) & Chr(9) & "To" & Chr(13)

For Each ihStream In [Link]

strStreamName = [Link]
strStreamType = [Link](HAP_RECORDTYPE)
’ get the destination connections
Set ihDestBlock = [Link]("Ports").Elements("DEST")
If ([Link](0) > 0) Then
’ there is a destination port
strDestBlock = [Link](0).Value
strDestPort = [Link](strDestBlock). _
[Link](strStreamName).Value
Else
’ it’s a flowsheet product
strDestBlock = ""
strDestPort = ""
End If
’ get the source connections
Set ihSourceBlock = [Link]("Ports").Elements("SOURCE")
If ([Link](0) > 0) Then

38-24 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 ’ there is a source port
strSourceBlock = [Link](0).Value
strSourcePort = [Link](strSourceBlock). _
[Link](strStreamName).Value
Else
’ it’s a flowsheet feed
strSourceBlock = ""
strSourcePort = ""
End If

strTable = strTable & Chr(13) & strStreamName _

& Chr(9) & strSourceBlock _
& Chr(9) & strSourcePort & Chr(9) _
& Chr(9) & strDestBlock & Chr(9) _
& strDestPort
Next ihStream
MsgBox strHeading & strTable, , "ConnectivityExample"
Exit Sub

ErrorHandler:
MsgBox "ConnectivityExample raised error" & Err & ": " & Error(Err)

End Sub

Manipulating Blocks You can add and delete streams and blocks, and connect and
and Streams disconnect streams froms blocks, using the Add and Remove
methods of Block, Stream, and Port collection objects.
Adding and Deleting To add a block, call the Add method of the Blocks collection, with
Blocks an input argument of "block name!block type". For example:
Dim problem as HappLS
Dim blocknode as IHNode
Set problem = CreateObject("[Link]")
set blocknode =
[Link]("Data").Elements("Blocks")
[Link]("B1!RADFRAC")

To delete a block, call the Remove method of the Blocks collection

with an input argument of the block name. For example:
[Link]("B1")

Adding and Deleting To add a stream, call the Add method of the Streams collection
Streams with an input argument of "stream name!stream type". The
streamtype is optional; it defaults to MATERIAL. For example:
Dim problem as HappLS
Dim streamnode as IHNode
Set problem = CreateObject("[Link]")
set streamnode =
[Link]("Data").Elements("Streams")
[Link]("S1!MATERIAL")
[Link]("S2")
[Link]("S3!HEAT")

To delete a stream, call the Remove method of the Streams

collection with an input argument of the stream name. For
example:
[Link]("S1")

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-25
 Connecting and To connect a stream, call the Add method of a specific Port object
Disconnecting Streams in the Ports collection of the given block. The element name
should be the name of the stream to be connected. For example:
For an inlet material stream:
[Link]("B1").Elements("Ports").Elements("F(IN)").Add("S1")

For an outlet material stream:

[Link]("B1").Elements("Ports").Elements("P(OUT)").Add("S1")

To disconnect a stream, call the Remove method of the Port in the

Ports collection of the block. For example:
[Link]("B1").Elements("Ports").Elements("F(IN)").Remove("S1")

Manipulating The IHAPLibRef interface allows an automation client to access

Libraries and Model the libraries associated with a problem and the categories shown on
Library Categories the Model Library, and to add, delete, and rearrange libraries and
categories. The LibRef method of the problem (HappIP object)
provides access to this interface. See Members of Class
IHAPLibRef, for details on the functions in this interface.
Example of Creating a Flowsheet via OLE

Get the IHAPLibRef interface from the problem:

Dim problem as HappLS
Dim libref as IHAPLibRef
Set problem = CreateObject("[Link]")
Set libref = [Link]

List the referenced libraries:

For count = 0 To [Link] - 1
[Link] [Link](count)
[Link] [Link](count)
Next count

Add a new reference as first referenced library

[Link] "f:\kessel\[Link]", 0

And show problem so that you can see the model library and
library references:
[Link] = TRUE

Controlling the User Interface from

an Automation Client
The HappLS object provides methods and events which allow the
control of the user interface from within an automation client.
These methods and events allow an automation client to:
• Handle Aspen Plus events
• Suppress dialog boxes
• Disable user interface features
• Automate the initial connection to the simulation engine

38-26 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 The Aspen Plus application object, HappLS, supports an outgoing
Handling Aspen Plus
event interface, IAPHappEvent, consisting of events for the
Events
HappLS class. See The IAPHappEvent Event Interface, for details
on each event.
In Visual Basic or VBA, the events are available by declaring a
variable of type HappLS using the WithEvents keyword. This must
be done in a form or class module. That variable is then set to the
simulation problem. Be sure to release this object with an
appropriate termination method.
In C++, implement an object that supports the IAPHappEvent
interface, which is defined as a dispinterface. Use the connection
point interfaces to connect this outgoing interface to application
object.
The following code fragment implements a Visual Basic
automation client that displays control panel messages.
Dim WithEvents sim As HappLS
Dim fCP As frmControlPanel ’ a form with a text box
Private Sub LoadSimulation(fn As String)
On Error GoTo ErrorHandler
set fCP = new frmControlPanel
’ a label control on the main form
[Link] = "loading " & fn
MousePointer = vbHourglass
’ reset the ole message filter to get rid of annoying Server busy message
[Link] = 100000
Set sim = CreateObject("[Link]")
Call sim.InitFromArchive2(fn, 0)
[Link] = false
[Link] = 10000
MousePointer = vbDefault
Exit Sub
ErrorHandler:
[Link] [Link]
[Link]
[Link] = "failed to load problem"
Set sim = Nothing
MousePointer = vbDefault
[Link] = 10000
End Sub
Private Sub Sim_OnControlPanelMessage(ByVal Clear As Long, ByVal msg As String)
If Clear Then
[Link] = ""
Else
[Link] = [Link] & vbCrLf & msg
End If
On Error GoTo ErrHandler
Exit Sub
ErrHandler:
[Link] "Error " & [Link]
[Link]
End Sub

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-27
 Suppressing Dialog When starting Aspen Plus 11.1 as an automation server, the default
Boxes behavior is to display no messages or dialog boxes unless an
automation method to specifically meant to show a dialog is used
or the GUI is visible and the user selects an operation that shows a
dialog, such as a menu item. This behavior can turned off with the
IHapp SuppressDialogs property. This property should normally be
set to false when the application is made visible for interactive use.
When dialogs are suppressed, the outgoing event
OnDialogSuppressed() is triggered whenever a warning message
or a suppressed dialog is encountered while dialogs are suppressed.
See Handling Aspen Plus Events for more information.
Some automation interface methods explicitly show an interactive
dialog, such as ConnectDialog(). Some other automation methods
show an interactive dialog only sufficient arguments are not
supplied. For example,
call [Link]()
will show the reinit dialog while
call [Link](IAP_REINIT_SIMULATION)
will not show a dialog.
Disabling User A method, UIDisable, has been added to the IHapp interface to
Interface features allow the automation client to disable user interface features before
making the automation server interactive.
To disable a menu item, call UIDisable with a string input
argument containing the slash-delimited path to the menu item.
Once an item has been deactivated it cannot be reactivated.
Example of Disabling Save and SaveAs

In this code fragment, a simulation is opened and the Save and

SaveAs functions in Aspen Plus are disabled.
Dim Sim As HappLS
Public Sub main()
On Error GoTo MainErrHandler
Set Sim = CreateObject("[Link]")
Call Sim.InitFromArchive2("[Link]", 0)
Call [Link]("File/Save")
Call [Link]("File/Save As")
’ make interactive
[Link] = False
[Link] = True
Set Sim = Nothing
’ and exit
Exit Sub
MainErrHandler:
[Link]
End Sub

Automating the Initial One set of user interactions that is not covered with dialog
Connection to the suppression is the initial connection to the simulation engine when
Simulation Engine no activator is present. The IHAPEngine Host and
ConnectionDialog methods can be used when an activator is

38-28 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 present or for subsequent connections. The IHapp file loading
routines InitFromArchive2 and InitFromFile2 methods have
optional arguments to supply the information that normally might
be shown in the connection dialog.
The Visual Basic GetObject() call always shows the connection
dialog in this situation. To avoid this use the Visual Basic
CreateObject() call followed by an InitFromArchive2() or an
InitFromFile2() call. In C++, use CoCreateInstance() followed by
the Init call rather than a BindToObject() call. For testing a Visual
Basic client, using GetObject() to connect to a running Aspen Plus
problem is often the better solution.
The example under Handling Aspen Plus Events shows the
CreateObject() call. See Initialization Methods to be Used with
CreateObject(), for more information about the InitFromArchive2
and InitFromFile2 methods.

Controlling a Simulation from an

Automation Client
The Engine property of a Happ object returns a IHAPEngine
object, which is an interface to the simulation engine. The Happ
and IHAPEngine objects provide methods to enable an Automation
client program to run and control a simulation.
The following code fragment illustrates how a user is prompted for
a simulation parameter, the simulation is re-run and the updated
results are displayed to the user.
Public Sub RunExample(ihAPsim As HappLS)
’ This example changes a simulation parameter and re-runs the simulation
Dim ihEngine As IHAPEngine
Dim nStages As Variant
Dim strPrompt As String
On Error GoTo ErrorHandler
Set ihEngine = [Link]
EditSimulation:
nStages = [Link]("NSTAGE").Value
strPrompt = "Existing number of stages for column B6 = " & nStages _
& Chr(13) & "Enter new value for number of stages."
nStages = InputBox(strPrompt)
If (nStages = "") Then GoTo finish
’ edit the simulation
[Link]("NSTAGE").Value = nStages
’ run the simulation
[Link]
’ look at the status and results
Call ListBlocksExample(ihAPsim)
Call TempProfExample(ihAPsim)
GoTo EditSimulation
finish:
Exit Sub
ErrorHandler:

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-29
 MsgBox "RunExample failed with error " & Err & Chr(13) & Error(Err)
End Sub

Run2 Interface The Run2 interface methods IHapp.Run2 and [Link].Run2

take an optional argument to make the simulation run
asynchronous. This allows the automation client to proceed with
other tasks while waiting for the simulation run to complete. Aspen
Plus should always be run asynchronously if the application is
visible.
Below is an example of running the engine asynchronously from
an event procedure in a class module.
[Link]
VERSION 1.0 CLASS
BEGIN
MultiUse = -1 ’True
Persistable = 0 ’NotPersistable
DataBindingBehavior = 0 ’vbNone
DataSourceBehavior = 0 ’vbNone
MTSTransactionMode = 0 ’NotAnMTSObject
END
Attribute VB_Name = "AspenPlus"
Attribute VB_GlobalNameSpace = False
Attribute VB_Creatable = True
Attribute VB_PredeclaredId = False
Attribute VB_Exposed = False
Option Explicit

’An example class module to illustrate the use of the Aspen

’Plus automation interface.
’
’Copyright 2001 Aspen Technology, Inc. All rights reserved.
’
’This example is intended for illustration purposes only.
’It is not intended as production code.

’ This module requires a reference to the Aspen Plus 11.1

’ type library

’ The interface to the Aspen Plus Automation Server

Private WithEvents simulationObject As [Link]
Attribute simulationObject.VB_VarHelpID = -1
Private isRunning As Boolean

Public Event RunFinished()

Private Sub Class_Initialize()

On Error Resume Next
’ Initialize data members
isRunning = False
End Sub

Private Sub Class_Terminate()

On Error Resume Next
’ Release automation server
Set simulationObject = Nothing

38-30 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 End Sub

Public Property Get simulation() As IHapp

On Error GoTo GetSimulationErr
Set simulation = simulationObject
Exit Property

’ simple error handler

GetSimulationErr:
Set simulationObject = Nothing

End Property

Public Property Let simulation(ByVal vNewValue As IHapp)

On Error GoTo SetSimulationErr
Set simulationObject = vNewValue

Exit Property
’ simple error handler
SetSimulationErr:
Set simulationObject = Nothing

End Property

Public Sub Run()

On Error GoTo RunError
If simulationObject Is Nothing Then
’ Throw user defined exception
Exit Sub
End If
If isRunning = True Then
’ Throw user defined exception
Exit Sub
End If
If InputComplete = False Then
’ Throw user defined exception
Exit Sub
End If

’ Do asynchronous run
isRunning = True
simulationObject.Run2 True
Exit Sub

RunError:
isRunning = False
End Sub

’ Event recieved when the run is completed

Private Sub simulationObject_OnCalculationCompleted()
On Error Resume Next
If isRunning = True Then
isRunning = False
RaiseEvent RunFinished
End If
End Sub

Public Property Get InputComplete() As Boolean

On Error GoTo InputCompleteErr
Dim problemData As IHNode
Dim completionMask As Long

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-31
 InputComplete = False
If simulationObject Is Nothing Then
’ Throw user defined exception

Exit Property
End If

Set problemData = [Link]

completionMask = _
[Link](Happ.HAP_COMPSTATUS)
If completionMask And Happ.HAP_INPUT_COMPLETE Then
InputComplete = True
End If

Exit Property
InputCompleteErr:
InputComplete = False
End Property

Public Sub LoadBkp(ByVal problem As String)

Dim newSimulation As New HappLS
On Error GoTo LoadBkpErr
’ load bkp with local engine
Call newSimulation.InitFromArchive2(problem, 0)
simulation = newSimulation
Set newSimulation = Nothing
Exit Sub

LoadBkpErr:
[Link]
’ log error or throw user defined exception
End Sub

[Link]
VERSION 5.00
Begin [Link] Form1
Caption = "Form1"
ClientHeight = 3195
ClientLeft = 60
ClientTop = 345
ClientWidth = 4680
LinkTopic = "Form1"
ScaleHeight = 3195
ScaleWidth = 4680
StartUpPosition = 3 ’Windows Default
Begin [Link] Load
Caption = "Load"
Height = 375
Left = 720
TabIndex = 1
Top = 480
Width = 1095
End
Begin [Link] Run
Caption = "Run"
Height = 375
Left = 720
TabIndex = 0
Top = 1200

38-32 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Width = 1095
End
End
Attribute VB_Name = "Form1"
Attribute VB_GlobalNameSpace = False
Attribute VB_Creatable = False
Attribute VB_PredeclaredId = True
Attribute VB_Exposed = False
Dim WithEvents problem As AspenPlus

Private Sub Form_Load()

On Error Resume Next
’ Initialize variables and set state
Set problem = New AspenPlus
[Link] = True
[Link] = False
End Sub

Private Sub Form_Unload(Cancel As Integer)

On Error Resume Next
Set problem = Nothing
End Sub

Private Sub Load_Click()

On Error Resume Next
MousePointer = vbHourglass
[Link] = False
’ load file into class
[Link] ("e:\mm11\xmp\[Link]")
[Link] = True
MousePointer = vbDefault
End Sub

Private Sub problem_RunFinished()

On Error Resume Next
MousePointer = vbDefault
’ Re-enable user controls
[Link] = True
End Sub

Private Sub Run_Click()

On Error Resume Next
’ Disable user controls
[Link] = False
MousePointer = vbHourglass
[Link]
End Sub

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-33
 Exporting Files from an Automation
Client
A new automation method,.Export, has been added to the IHapp
interface to export file formats other that Aspen Archive and
Aspen Document formats.
Example of using the Export method

This code fragment illustrates the use of the Export method to

export a report file.
Dim MySim As HappLS
Public Sub Main()
On Error GoTo MainErrHandler
Set MySim = CreateObject("[Link]")
Call MySim.InitFromArchive2("[Link]", 0)
Call [Link](HAPEXP_REPORT, "[Link]")
Set MySim = Nothing
Exit Sub
MainErrHandler:
[Link]
End Sub

Members of Aspen Plus Classes

This section lists the members of each of the exposed Aspen Plus
classes.
Members of Classes Name and Arguments Member Read- Description
HappLS and HappIP Type only

Standard VB Properties Activate() Sub Activate the application

and Properties to Application As HappLS Property Yes Returns the application of the
Manipulate the Main object
Window FullName As String Property Yes Returns the full name of the
application
Name As String Property Yes Returns the name of the
application
Parent As Happ Property Yes Returns the creator of the
object
Visible As Boolean Property Returns the visible state of the
application

Properties to Access Name and Arguments Member Read- Description

Other Parts of the Object Type only
Model Engine As IHAPEngine Property Yes Return the interface to the
simulation engine
Tree As IHNode Property Yes Get top node of file

38-34 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Basic File Operations Name and Arguments Member Read- Description
Type only
Save() Sub Saves current file
SaveAs Sub Saves current file under new
(filename As String, name
[overwrite])
Restore2 Property Yes Restores, or merges, an archive
(filename As String) file into the current problem
WriteArchive2 Sub Exports an archive file.
(filename As String,
savechildren as long)
Export(reptype as Sub Export a file of a type
HAPEXPType, determined by reptype with the
filename as String) specified name. Possible
values of reptype:

HAPEXP_BACKUP Backup file

HAPEXP_REPORT Report file
HAPEXP_SUMMARY Summary file
HAPEXP_INPUT Input file
HAPEXP_INPUT_GRAPHICS Input file with graphics
HAPEXP_RUNMSG Run Message file
HAPEXP_REPORT_INPUT Report and input files
HAPEXP_REPORT_SUMMARY Report and summary files
HAPEXP_FLOWDYN Flow Driven Dynamic Simulation
HAPEXP_PDYN P Driven Dynamic Simulation
HAPEXP_DXF Flowsheet Drawing

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-35
 Initialization Methods to Name and Arguments Member Read- Description
be Used with Type only
CreateObject() InitFromArchive2( Sub Open an Aspen Plus archive
filename as String, file and connect to the
host_type as Integer, simulation engine.
node as String, filename is the name of the
username as String, problem to open, host_type is a
password as String, zero-based index of the entry
working_directory as of the host in the initialization
String, file, node is the name of the
failmode as Integer) remote machine to connect to,
username, password, and
working_machine are the
account name, password, and
working directory to use to
connect to the remote machine,
failmode is 0 (default) if
connection failure show show
the connect dialog, or non-zero
if failure exits the automation
server.
All arguments but filename are
optional.
InitFromTemplate2 Sub Opens a template and
(filename As String, …) initializes
InitFromTemplate2 has the
same arguments as
InitFromArchive2.
InitFromFile2( Sub Open an Aspen Plus document
filename as String, ...) and connect to the simulation
engine.
InitFromFile2 has the same
arguments as
InitFromArchive2.

Basic Run Operations Name and Arguments Member Read- Description

Type only
Reinit() Sub Reinitialize the simulation
case. To reinitialize specific
blocks or streams, use the
Reinit member of the
IHAPEngine class.
Run2([asynchronous]) Sub Run the simulation case,
asynchronously if the
argument is True. If the user
interface is visible, simulations
should always be run
asynchronously.

38-36 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Selection Buffer Name and Arguments Member Read- Description
Operations Used to do Type only
Cut and Paste Strictly Via DeleteSelection(Key As Sub Delete a selection buffer.
Automation String)
NewSelection(Key As Function Create and return a new
String) As IHSelection selection buffer.
SaveSelection(Key As Sub Save a selection buffer.
String)
Selection(Key As Property Yes Retrieve a selection buffer.
String) As IHSelection

Disabling User Interface Name and Arguments Member Read- Description

Items Type only
UIDisable(key as Sub Disable user interface item
String) denoted by key.
Key is a slash-delimited path
of the menu item, such as
File/Save.
Once an item has been
deactivated it cannot be
reactivated.
The IAPHappEvent Event Events in the Event Interface
Interface Name and Arguments Member Read- Description
Type only
OnDialogSuppressed Event Indicates that a warning
(msg as String, result as message was generated and not
String) shown in a message box, or
that a dialog would be shown if
the application was interactive.
Msg is the text of the warning
or a message describing the
dialog. In some cases, this
might be a message indicating
that an interactive action is not
possible when dialogs are
being suppressed.
Result is the default choice for
the message box or the dialog
option.
OnControlPanelMessage Event Indicates a control panel
(clear as Boolean, msg message was generated. Clear
as string) is true if the message indicates
to clear the control panel.
Otherwise, msg contains the
text of the message sent to the
control panel.

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-37
 OnGUIClosing() Event Indicates the user interactively
closed the application. May be
used to notify an automation
client that it should disconnect
from the automation server.
Note this does not indicate that
the automation server is
closing, that will not occur
until both the GUI is closed
and automation client release
any objects that they hold from
the automation server.
OnDataChanged Event Indicates a data entry value is
(pObj as Object) changed. Used to notify clients
that they may need to check
the completion status of the
simulation problem or an
object within the simulation.
pObj is the object that was
modified, usually an IHNode
Property related to the Event Interface
Name and Arguments Member Read- Description
Type only
SuppressDialogs as Property Specifies whether Aspen Plus
Boolean suppresses most messages and
dialog boxes, normally True
when Aspen Plus is started as
an automation server. Should
be set False is such an
invocation is subsequently
made available for interactive
use.
Members of Class Standard VB Properties
IHNode Name and Arguments Member Read- Description
Type only
Application As HappLS Property Yes Returns the application of the
object.
Parent As HappLS Property Yes Returns the creator of the
object.

38-38 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Properties to Access Other Parts of the Object Model
Name and Arguments Member Read- Description
Type only
Dimension As Long Property Yes Return the number of
dimensions in the directory (0
for scalar).
Elements As Property Yes Return a collection object
IHNodeCol containing the node’s offspring
nodes
Access Data Values
Name and Arguments Member Read- Description
Type only
AttributeType Property Yes Get type of attribute for
(attrnumber As Integer) attrnum:
As Integer 1=int 2=real
3=string 4=node
5=memory block
(see Enum
HAPAttributeNumber for
possible values).
AttributeValue Property Get the value of the attribute
(attrnumbe As Integer, for attrnum (see Enum
[force]) HAPAttributeNumber for
possible values).
HasAttribute Property Yes Checks whether attribute is
(attrnumber As Integer) defined for attrnum (see
As Boolean HAPAttributeNumber for
possible values).
SetValueAndUnit Sub Store the value attribute and
(Value, unitcol As the Unit of Measurement
Integer, [force]) attribute of the object
simultaneously.
SetValueUnitAndBasis Sub Store the value attribute, the
(Value, unitcol As Unit of Measurement attribute,
Integer, basis As String, and the basis for the object
[force]) simultaneously.
Value([force]) Property Get the value attribute of the
object.
ValueForUnit Property Gets the value in the specified
(unitrow As Integer, units.
unitcol As Integer)
ValueType As Integer Property Yes Get type of value attribute:
0=not defined
1=int 2=real
3=string 4=node
5=memory block

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-39
 Helper Methods
Name and Arguments Member Read- Description
Type only
FindNode(path As Function Navigate to a different node.
String) As IHNode
Name([force]) As Property Returns the name of the object
String (force argument is unused).
UnitString As String Property Yes Returns the unit of
measurement symbol of the
node value as a string.
Methods Used to Manipulate the Data
Name and Arguments Member Read- Description
Type only
Clear() Sub Clear contents of the node.
Delete() Sub Delete element.
RemoveAll() Sub Remove all elements.
Members of Class Standard VB Properties
IHNodeCol Name and Arguments Member Read- Description
Type only
Application As HappLS Property Yes Returns the application of the
object.
Parent As HappLS Property Yes Returns the creator of the
object.
Main Navigation Method
Name and Arguments Member Read- Description
Type only
Item(loc_or_name, Property Yes Given a set of indices or
[loc_or_name2], names, returns an element in
[loc_or_name3], the collection
[loc_or_name4],
[loc_or_name5]) As
IHNode
Principal Data Manipulation Methods
Name and Arguments Member Read- Description
Type only
Add([loc_or_name], Function Creates and adds a child of
[loc_or_name2], type:
[loc_or_name3], 1 = scalar
[loc_or_name4], 4 = list
[loc_or_name5]) As 5 = named list, with value type
IHNode of:
0=not defined
1=int 2=real
3=string 4=node
5=memory block.

38-40 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 Insert(element As Sub Inserts an element into
IHNode, collection.
[loc_or_name],
[loc_or_name2],
[loc_or_name3],
[loc_or_name4],
[loc_or_name5])
InsertRow(dimension Sub Inserts a new row at location in
As Long, location As the specified dimension, dim.
Long)
Remove(loc_or_name, Function Removes an element.
[loc_or_name2],
[loc_or_name3],
[loc_or_name4],
[loc_or_name5]) As
IHNode
RemoveRow(dimension Sub Removes a row at location in
As Long, location As the specified dimension, dim.
Long)
Important Properties About the Data
Name and Arguments Member Read- Description
Type only
Dimension As Long Property Yes Returns the number of
dimensions in the directory.
Label(dimension As Property Returns the row label for the
Long, location As specified row location in the
Long, [force]) As String specified dimension (force
argument is unused).
LabelLocation(Label Property Yes Returns the location, or row
As String, dimension number, of the label along the
As Long) As Long dimension, dim.
RowCount(dimension Property Yes Returns the number of
As Long) As Long elements in the dimension.
Other Properties About the Data
Name and Arguments Member Read- Description
Type only
Count Property Yes Returns total number of object
slots in collection.
DimensionName Property Yes Gets a display name for the
(dimension As Long) given dimension for variable or
As String table.
LabelNode(dimension Property Yes Returns a node for
As Long, location As manipulating the label.
Long, [Label]) As
IHNode

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-41
 IsNamedDimension Property Yes Returns whether the rows for
([dim]) As Boolean this dimension of the collection
are named.
ItemName(location As Property Returns name or row name for
Long, [dim], [force]) As element at location (force
String argument is unused).
LabelAttribute Property Returns the value of an
(dimension As Long, attribute for the label in the
location As Long, row, location, along the
attrnum As Integer, dimension, dim, for attrnum
[force]) (see HAPAttributeNumber for
possible values), (force
argument is unused).
LabelAttributeType Property Yes Returns the type of an attribute
(dimension As Long, for the label in the row,
location As Long, location, along the dimension,
attrnum As Integer) As dim, for attrnum (see
Integer HAPAttributeNumber for
possible values).
Members of Class Basic Run Operations
IHAPEngine Name and Arguments Member Read- Description
Type only
MoveTo(object_type Sub Move current simulation step
As to object or begining of
IAP_MOVETO_TYPE, sequence.
[object_id])
Reinit([object_type], Sub Reinitialize all or portion of
[object_id]) simulation (if object_type is
used it must be an
IAP_REINIT_TYPE.)
Run2([asynchronous]) Sub Run simulation problem,
asynchronously if the
argument is True. If the user
interface is visible, simulations
should always be run
asynchronously.
Stop() Sub Stop simulation run.
Manipulate Stop Points
Name and Arguments Member Read- Description
Type only
AddStopPoint(type As Sub Add a stop point,
IAP_STOPPOINT_TYPE, before_or_after:
object_id As String, 1 = before
before_or_after As 2 = after.
Long)
ClearStopPoints() Sub Clear all stop points.

38-42 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 DeleteStopPoint(index Sub Delete stop point based on 1-
As Long) based index.
StopPointCount As Property Yes How many stop points are set?
Long
GetStopPoint(index As Sub Retrieve information about a
Long, type As stop point, index: 1-based
IAP_STOPPOINT_TYPE, index of stop point
object_id As String, before_or_after:
before_or_after As 1 = before , 2 = after.
Long)
Manipulate the Client-Server Communications
Name and Arguments Member Read- Description
Type only
Host(host_type As Function Connect to host specified by
Long, [node], host_type (0-based index of
[username], [password], available host types).
[working_directory])
As Boolean
HostCount As Long Property Yes Returns the number of host
types available to connect to.
HostDescription Function Returns a description for the
(host_type As Long) As host type specifed by the
String host_type index (0-based).
Miscellaneous Option Settings
Name and Arguments Member Read- Description
Type only
EngineFilesSettings Property Retrieve setting for engine
(file As files.
IAP_ENGINEFILES)
As String
OptionSettings(type As Property Retrieve setting for simulation
IAP_RUN_OPTION) run options.
As Boolean
Members of Class Manipulate the Libraries Associated with a Problem
IHAPLibRef Name and Arguments Member Read- Description
Type only
CountLibs() as Integer Property Yes Returns the number of libraries
currently referenced by a
problem
LibraryName(index as Property Yes Returns the library name of the
Integer) as String library specified by the index.
In all these methods, the index
is zero-based (first library is
specified by 0).

Aspen Plus 11.1 User Guide Using the Aspen Plus ActiveX Automation Server • 38-43
 LibraryPath(index as Property Yes Returns the full path and
Integer) as String filename of the library
specified by index
InsertLibrary(path as Function Inserts a library into the
String, location as reference list at a location
Integer) as String specified by index. Returns
displayname of library
RemoveLibrary Sub Removes the library location
(location as Integer) specified by index from
reference list
MoveLibrary(fromloc Sub Moves a library in search path
as Integer, toloc as
Integer)
Manipulate the Categories Shown on the Model Library
Name and Arguments Member Read- Description
Type only
CategoryName(index as Property Yes Returns the name of the
Integer) as String category specified by the
index.
In all these methods, the index
is zero-based (first category is
specified by 0).
CategorySelected Property Is 1 if specified category has
(name as String) as been selected to display on the
Integer Model Library
CategoryLocSelected Property Is 1 if specified category (by 0
(index as Integer) as based index) has been selected
Integer to display on the Model
Library
MoveCategory (fromloc Sub Moves a category in the
as Integer, toloc as category list
Integer)

38-44 • Using the Aspen Plus ActiveX Automation Server Aspen Plus 11.1 User Guide
 C H A P T E R 39

Heat Exchanger Design Program

Interface

Overview
This chapter describes how to use the Aspen Plus heat exchanger
design program interface (HTXINT) to transfer heating/cooling
curve data from an Aspen Plus run to a heat exchanger design
program.
See one of the following topics for more information:
• Generating property data
• Starting HTXINT
• Selecting heating/cooling curve results
• Generating the interface file
• Using the interface in a design program

About the Heat Exchanger Design

Program Interface
You can use the heat exchanger design program interface
(HTXINT) to select heating/cooling curve data from an Aspen Plus
run and transfer it to a file in a format that can be read by these
heat exchanger design programs:
• Aspen Hetran
• HTFS’s TASC, ACOL, and APLE
• HTFS’s M-series programs, including M-TASC, M-ACOL, and
M-APLE
• HTRI’s ST, CST, ACE, PHE, and RKH

Aspen Plus 11.1 User Guide Heat Exchanger Design Program Interface • 39-1
 You can extend the default data produced by the heating/cooling
curves to include all of the properties each design program needs.
Run HTXINT after completing an Aspen Plus run and before
starting the design program. HTXINT guides you through a series
of prompts. Select the heating/cooling curves for the design
program.
HTXINT is an application written using the Aspen Plus summary
file toolkit.

Generating Property Data in a

Simulation
HTXINT uses property data from heating/cooling curves that can
be generated by many Aspen Plus unit operation models. To use
HTXINT, you must first use Aspen Plus to generate the required
heating/cooling curves. Create one or more heating/cooling curves
for each block of interest. For details on specifying heating and
cooling curves, see Requesting Heating/Cooling Curve
Calculations. On the Hcurve form for the block:
1 Specify HXDESIGN in the Property Sets field.
2 Select the required number of points. See Specifying the
Number of Heating/Cooling Curve Points, this chapter.
3 Specify the pressure drop.
The following sections describe each step.
Specifying the Property To generate the property data required for all supported heat
Set exchanger program interfaces, select the built-in property set
HXDESIGN on the Hcurve forms.
Specifying the Number of The Aspen Plus default of ten intermediate points is generally
Heating/Cooling Curve acceptable. You can increase or decrease this number. If the
Points number of points exceeds the maximum number that the heat
exchanger program accepts, HTXINT selects the points to include
the end-points and any dew or bubble points in the heating/cooling
curve. Since Aspen Plus adds extra points for dew or bubble
points, more points may be generated than you request.
Specifying Pressure Hetran is the only design program that accepts non-isobaric
Drops property curves. A heating/cooling curve with a pressure drop
cannot be copied to the interface files for the other programs.

39-2 • Heat Exchanger Design Program Interface Aspen Plus 11.1 User Guide
 HTRI programs accept up to three curves per side at different
pressures. For maximum accuracy, define three heating/cooling
curves for:
• Inlet pressure
• Outlet pressure
• Intermediate pressure where phase change occurs

Starting HTXINT
To run HTXINT interactively, select the appropriate command:
Version Command
Windows HTXINT runid
Where:
runid is the ID of the Aspen Plus run
HTXINT reads the data from the summary file named [Link].
If [Link] does not exist, HTXINT reads the data from the
backup file named [Link].
The program guides you with a series of prompts. To leave the
HTXINT program at any time, type EXIT or QUIT.
HTXINT asks for the name of the target design program:
Please enter the required interface. (BJAC, HTFS,
M-HTFS or HTRI) >
Enter the vendor’s name for the target design program:
Enter To write data for
BJAC Hetran
HTFS TASC, ACOL, and APLE
M-HTFS M-TASC, M-ACOL, and M-APLE
HTRI ST, CST, ACE, PHE, and RKH
HTXINT prompts for the units of measure:
Please select the units to display the data. (SI,
ENG or MET) >
Select the units to use for displaying the heating/cooling curve data
on the screen. The options are Aspen Plus units sets.
The B-JAC, HTFS, and HTRI interfaces use the vendor-specific
units set closest to the selected Aspen Plus units set, when writing
data to the interface file. Different vendors use slightly different
combinations of units in their units of measure. The interface uses
the most appropriate one. See Using the Interface File in your Heat
Exchanger Design Program, this chapter, for a list of the

Aspen Plus 11.1 User Guide Heat Exchanger Design Program Interface • 39-3
 corresponding units of measurement. The M-HTFS interface is
always written in SI units.
HTXINT prompts you for the name of the output file:
Please enter the output file name (Default is
[Link]) >>
The default output file is created in your default directory with the
same filename as the summary file. The extension depends on the
target program. See Using the Interface File in Your Heat
Exchanger Design Program, this chapter, for examples of the file
extensions.
If you choose the name of a file that already exists, HTXINT asks
if you want to overwrite it or choose another filename.

Selecting Heating/Cooling Curve

Results to Export
To select the heating/cooling curve:
1 Enter the block ID.
2 Enter the heating/cooling curve number.
3 Choose whether to view or write the data for the
heating/cooling curve.
When you complete Step 3, you are returned to Step 1. You can
continue to select and copy further heating/cooling curve data, up
to the maximum number of heating/cooling curves allowed by the
heat exchanger design program.
The following sections describe each step.
Entering the Block ID HTXINT lists on the screen all blocks that have heating/cooling
curves. Enter a block ID to display the list of heating/cooling
curves for that block. For example, the screen displays:
The following blocks have Hcurves.
+----------------------------+
| Block ID | Model type |
+-----------+----------------+
| E01 | HEATX |
| T01 | RADFRAC |
+----------------------------+
Please select a block ID from the list. >

39-4 • Heat Exchanger Design Program Interface Aspen Plus 11.1 User Guide
 Entering the Enter the heating/cooling curve number from the list of
Heating/Cooling Curve heating/cooling curves for the block. The screen displays:
Number
The Hcurves for block E01 are as follows.
+--------------------------------------------------------------------+
|NUMBER|Side | Type| Pressure range | Temp. range | Vfrac range|
| | | | (N/SQM) | (K) | |
+------+-----+-----+--------------------+---------------+------------+
| 1 | HOT | HOT |0.410E+07 0.410E+07 |322.039 207.039|1.000 0.639 |
| 2 |COLD |COLD |0.445E+07 0.445E+07 |183.150 200.656|0.000 0.000 |
+--------------------------------------------------------------------+
Please select an Hcurve from the list by entering its number. > 2

Viewing and Writing the HTXINT asks:

Data for the Do you wish to view data points for this curve?
Heating/Cooling Curve (Y/N) >
If you enter N, the data for this heating/cooling curve is written to
the interface file.
If you enter Y to view the data, the heating/cooling curve points
appear. For example:
+----------+--------------+---------------+---------+
| TEMP | DUTY | PRES | VFRAC |
| (K) | (WATT) | (N/SQM) | |
+----------+--------------+---------------+---------+
| 322.039 | 0.31907E+04 | 0.41024E+07 | 1.000 |
| 317.775 | -0.71198E+05 | 0.41024E+07 | 1.000 |
| 311.584 | -0.21327E+06 | 0.41024E+07 | 0.994 |
| 301.130 | -0.46122E+06 | 0.41024E+07 | 0.980 |
| 290.675 | -0.72166E+06 | 0.41024E+07 | 0.963 |
| 280.221 | -0.99223E+06 | 0.41024E+07 | 0.941 |
| 269.766 | -0.12693E+07 | 0.41024E+07 | 0.916 |
| 259.312 | -0.15503E+07 | 0.41024E+07 | 0.888 |
| 248.857 | -0.18344E+07 | 0.41024E+07 | 0.857 |
| 238.403 | -0.21230E+07 | 0.41024E+07 | 0.822 |
| 227.948 | -0.24205E+07 | 0.41024E+07 | 0.779 |
| 217.493 | -0.27370E+07 | 0.41024E+07 | 0.724 |
| 207.039 | -0.30963E+07 | 0.41024E+07 | 0.639 |
+----------+--------------+---------------+---------+

Indicate whether you want to write the data for the heating/cooling
curve by responding to this prompt:
Do you want this Hcurve to be written to the
interface file? (Y/N) >
If you enter Y, the heating/cooling curve data is written to the
output file. If you enter N, you can enter another heating/cooling
curve number.
If the heating/cooling curve contains calculation errors, any points
with errors are indicated with an asterisk (*) and the following
prompt appears:
Do you want data for the points with the
calculation errors to be suppressed? (Y/N) >
If you enter Y, the points with errors will be excluded.

Aspen Plus 11.1 User Guide Heat Exchanger Design Program Interface • 39-5
 Generating the Interface File
After you choose a heating/cooling curve to write to the interface
file, HTXINT provides prompts for descriptive data for the target
design program. Examples of information you may want to provide
are a problem description, case name, and hot or cold fluid name.
HTXINT indicates when the number of characters you can use is
restricted, and validates your data entry.
HTXINT generates the input, then asks you if you want to select
another heating/cooling curve.
The following text shows an example of providing descriptive data
for the HTRI interface.
Please provide a one line description of the
problem up to 70 characters.
> HCURVE DATA COPIED FROM HEAT EXCHANGER E01
Please provide a one line case description of up
to 70 characters.
> BASE CASE
Enter the cold fluid name. 12 characters maximum
> C1
Data for curve has been written to the interface
file.
Do you want to select another Hcurve? (Y/N) > N

39-6 • Heat Exchanger Design Program Interface Aspen Plus 11.1 User Guide
 Using the Interface File in Your Heat
Exchanger Design Program
The interface program creates a file containing heating/cooling
curve data. This file includes the descriptive data you entered at the
prompts. The file format, name, and how the file is used depends
on the design program. The input file that HTXINT produces
contains only heating/cooling curve data. It does not contain the
complete data necessary to run the design program.
Maximum Maximum No.
Design Interface Units of No. of H/C of H/C Curve
Program Filename Measure Curves Points How to Use
B-JAC [Link] SI, US, Hot side = 1 13 (inlet, outlet, Run B-JAC. Select Shell&Tube
metric Cold side = dew point, Heat Exchanger Programs, then
1 bubble point, Thermal Design, then Establish
and up to 9 the Filename, then Create or
others) Modify Input File.
HTFS [Link] SI, British, Hot side = 1 12 Edit and complete the data in
metric Cold side = the input file.
1
HTFS M- [Link] SI only Hot side = 1 12 Run DOS program. Select Input
Series Cold side = Data Editor. Then either create
1 or edit input and import the
interface file, using function
key F5.
Or
Run Windows program. Select
Import Simulator Input File
from File menu.
HTRI [Link] SI, US, Hot side = 3 10 Edit and complete the data in
MKH Cold side = the input file.
3 Or
Enter the program and select the
input file.
These are the vendors’ names for units of measurement sets that
correspond approximately to the SI, ENG, and METRIC sets in
Aspen Plus.
Use the process simulator (psf) file in the way described in this
table. The format and units of a process simulator file are different
from the usual HTFS input file.

Aspen Plus 11.1 User Guide Heat Exchanger Design Program Interface • 39-7
39-8 • Heat Exchanger Design Program Interface Aspen Plus 11.1 User Guide
 C H A P T E R 40

Using FACT and ChemApp with

Aspen Plus

This section describes how to use the interface between the Aspen
Plus flowsheet simulator, FACT, and ChemApp. Before using
this interface, you should have a working knowledge of Aspen
Plus, FactSage, and ChemApp. Within Aspen Plus specifically,
you should be familiar with the concepts presented in Getting
Started Customizing Unit Operation Models.
The Aspen/FACT/ChemApp Interface was developed to given
Aspen Plus users access to the thermodynamic data and solution
models in FactSage in the context of a flowsheet simulation. It is
expected that this will be used primarily for simulations of
pyrometallurgical processes.

FACT/ChemApp Software
Requirements
In addition to Aspen Plus 11.1, use of the Aspen/FACT/ChemApp
interface requires the installation of third party software:
• FactSage™ 5.0 is used to generate transparent ChemSage files
(*.cst) which can be read by the Aspen/FACT/ChemApp
interface. For more information about FactSage, see
[Link].
• ChemApp is the application called by Aspen/FACT/ChemApp
interface to perform thermochemical calculations. For more
information about ChemApp, see [Link].
The Compaq Visual FORTRAN compiler is not required, but is
strongly recommended. If the Fortran compiler is present, the
name of the ChemSage file can be specified with the ChemSage
Calculator block.

Aspen Plus 11.1 User Guide Using FACT and ChemApp with Aspen Plus • 40-1
 Specifying a Simulation Using FACT
and ChemApp
To create a simulation using FACT and ChemApp, perform the
following steps:
1 Configure Aspen Plus to use the Aspen/FACT/ChemApp
interface.
2 Specify FACT components.
3 Specify the FACT property method.
4 Prepare the ChemSage file.
5 Configure the ChemApp unit operation model.
Configuring Aspen The following instructions assume that GUI is the subdirectory
Plus to Use the where the Aspen Plus graphical user interface is installed (typically
Aspen-FACT- C:\Program Files\AspenTech\Aspen Plus 11.1\GUI), and that
ChemApp interface APRSYS is the subdirectory where the Aspen Plus property system
engine files are installed (typically C:\Program
Files\AspenTech\AprSystem 11.1\Engine).
Accessing ChemApp

Aspen Plus needs to be able to access the ChemApp executable

file. The ChemApp executable file is not delivered as part of
Aspen Plus, it must be licensed from GTT Technologies.
Copy ca_vc_e.dll from the ChemApp installation to
APRSYS\XEQ\[Link] .
Note that GTT may change the name of the ChemApp executable
file from ca_vc_e.dll to something else. Aspen Plus will only
recognize the file if it has been renamed to [Link].
Adding the ChemApp model to the Model Library

A custom model library containing the ChemApp model is

supplied with Aspen Plus. To add it to the Model Library:
1 Start the Aspen Plus GUI with a blank simulation.
2 From the Library pulldown menu, select References.
3 Use Browse to find GUI\xmp\ChemApp\[Link].
4 Close the Library References dialog box.
5 From the Library pulldown menu, select Save Default.
6 Exit the Aspen Plus GUI.
Testing the Aspen/FACT/ChemApp interface

If you have installed the FORTRAN compiler:

1 Copy GUI\xmp\ChemApp\*.* to a working directory.
2 Start the Aspen Plus GUI.

40-2 • Using FACT and ChemApp with Aspen Plus Aspen Plus 11.1 User Guide
 3 Open [Link] from the working directory.
4 Run the simulation. If it completes successfully, the
preparation for the Aspen/FACT/ChemApp interface is
complete.
If you do not have the FORTRAN compiler:
1 Copy GUI\xmp\ChemApp\*.* to a working directory.
2 Start the Aspen Plus GUI.
3 Open [Link] from the working directory.
4 From the Run pulldown menu, select Settings.
5 In the Linker Options field, ensure that the path for
[Link] is correct.
6 In the working directory, use Notepad to edit [Link].
Enter the correct path to find [Link] in the working directory.
7 Run the simulation. If it completes successfully, the
preparation for the Aspen/FACT/ChemApp interface is
complete.
Troubleshooting simulations with the Aspen/FACT/ChemApp interface
1 In the ChemSage Calculator block, set ppfact_cadbg =
.true.
2 From the Run pulldown menu, select Stop points
3 Set a Stop point after the block that is reporting an error.
4 Run the simulation until it stops at the stop point.
5 Examine the last section of extra diagnostic information written
to the Control Panel.
6 In your working directory, use Notepad to view the file
[Link]. This file contains the input and output (if any) of
the last call to the ChemApp chemical equilibrium calculations.
7 Examine the stream results of the streams in and out of the
block.
FACT Components Aspen Plus has a databank, FACTPCD, containing components
required for the Aspen/FACT/ChemApp interface. These
components are actually FACT species, which differ from Aspen
Plus components in that they represent a component in a particular
phase.
Before you can specify FACT components, you must tell Aspen
Plus to use the FACTPCD:
1 Go to the Databanks sheet of the Components | Specifications
form.
2 Select FACTPCD and click > to move it to the Selected
Databanks frame.

Aspen Plus 11.1 User Guide Using FACT and ChemApp with Aspen Plus • 40-3
 3 In the Selected Databanks frame, select FACTPCD and click
the up arrow repeatedly to move it to the top of the list.
Next, specify all FACT components in the simulation on the Aspen
Plus Component | Specifications | Selection sheet. Note that you
must specify each component in all phases you expect to find it in.
For example, if the simulation will be used to simulate the
condensation of zinc in a Heater block, two components will be
required:
• ZN:G1
• ZN:L1
All component names for components in the FACTPCD follow the
same syntax. A colon is used to separate the molecular formula
from the phase. The phases may be pure component phases (e.g.
L1, S1, S2) or solution phases (e.g. G1, PBLQ).
The component type should reflect the state of the species. Liquids
and gases should be designated as Conventional, while solids and
solid solutions should be designated as Solids. This will be useful
when assigning products to substreams after an equilibrium
calculation.
Note that not all the components present in the ChemSage file need
to be listed in the Component | Specifications | Selection form.
Mixing FACT You cannot mix FACT components and calculations with
Components and Aspen traditional Aspen Plus components and calculations. This means
Plus Components that the FACT property method cannot be used to calculate the
thermodynamic properties of components originating from the
Aspen Plus databanks, nor can the properties of components
originating from the FACT databases be calculated using native
Aspen Plus property methods.
Components from the FACT database can be used in the same
simulation with other components, but exercise extreme caution.
The recommended usage is to divide the flowsheet into sections:
• A section where FACT components are used
• A section where traditional Aspen Plus components are used
Under no circumstances can FACT and traditional Aspen Plus
components come into contact in any stream or block.
Defining Property The FACT property method must be used for physical property
Methods for the calculations wherever FACTPCD components are present. The
Aspen-FACT- FACT property method can be specified at several different levels
ChemApp Interface in the simulation: globally, at the flowsheet section level, at the
block level, or at the part-of-block level (for one side of a heat
exchanger). In addition:

40-4 • Using FACT and ChemApp with Aspen Plus Aspen Plus 11.1 User Guide
 • Do not change the routes or models of the FACT property
method. Specific solution models cannot be manipulated
through modification of the FACT property method. Solution
models are assigned to a component in the ChemSage file
based on its phase designation. Several solution models may be
used together within any stream or unit operation model.
• Do not enter specifications for Henry Components.
• Do not select the Free Water option.
Only the FACT property method and FACT components can be
used with the ChemApp unit operation model.
Aspen Plus unit operation models can be used with the
Aspen/FACT/ChemApp interface. Anytime that the FACT
property method is used, the Aspen/FACT/ChemApp interface will
be called automatically.
Note that the FACT property method has no provisions to calculate
transport properties. Therefore, unit operation models that require
transport properties (such as RateFrac and rigorous HeatX) cannot
be used with the interface.
When using the FACT property method, you may need to define
an appropriate chemistry block for flash calculations.
Specifying Flash Since the Aspen Plus components are really FACT species
Calculations with the assigned to a specific phase, the concept of using a simple flash
Aspen/FACT/ChemApp calculation to determine phase equilibrium is not meaningful.
Interface Instead, phase equilibrium must be described to Aspen Plus as a
reaction. These reactions are specified in a Chemistry block.
Consider a heater block cooling water at 1 atm from 150 C to 70 C.
From the FACT point of view, this involves a “reaction:
H2O:G Å H2O:L
In order for Aspen Plus to perform this flash correctly with the
FACT property method, you must set up a Chemistry block with
this reaction.
While there is no inherent limit to the number of reactions that can
be provided in a Chemistry block, it is recommended that complex
flash calculations be done with the ChemApp User2 block, where
feasible.
Preparing the The ChemApp module does not read the FACT databases directly.
ChemSage File Simulation thermodynamic data files (referred to as ChemSage
files) that can be read by the ChemApp module must be prepared.
This can be done through the EQUILIB program of FactSage. See
the FactSage documentation for more information.

Aspen Plus 11.1 User Guide Using FACT and ChemApp with Aspen Plus • 40-5
 Binary ChemSage files from FACT-Win (*.bin) cannot be used.
Only ASCII ChemSage files (*.dat) or transparent ChemSage files
(*.cst) are recognized by the Aspen/FACT/ChemApp interface.
Only one ChemSage file can be read in a single simulation.

Note: If FactSage and Aspen Plus are located on different

machines, you can copy the ChemSage file from the PC with
FactSage to the PC with Aspen Plus and ChemApp.

Referencing the If the Fortran compiler is installed, all runs should include the
ChemSage File ChemSage Calculator block. This is delivered as
GUI\xmp\ChemApp\[Link]. This .bkp file can be
imported into any existing .bkp file. It executes first and sets two
variables:
1 Ppfact_FILEN: the name of the ChemSage file. It must be in
the local directory.
2 Ppfact_CADBG: controls whether or not debugging
information is sent to the Control Panel.
If ppfact_FILEN is not defined in the ChemSage Calculator
block, the Aspen/FACT/ChemApp interface looks for the file
[Link]. If [Link] cannot be found, the
interface will fail with an error message stating that the ChemSage
file cannot be found.
Using ChemApp as a The ChemApp unit operation model provides the most flexibility
Unit Operation Model in the use of the Aspen/FACT/ChemApp interface.
Note that the ChemApp unit operation model is actually a User2
block with some customized variables. Although input data for the
User2 can be specified on the User Arrays sheet, it is intended
that you enter data on the Configured Variables sheet.
Use of the ChemApp unit operation requires access to the RFACT
and AFC subroutines. The objects for these subroutines must be
present in the working directory for all simulations. They are
delivered both as Fortran files and as objects in
GUI\xmp\ChemApp. If you do not have the Fortran compiler,
they must be accessed through [Link], also delivered in
GUI\xmp\ChemApp. A dlopt file is required to point to
GUI\xmp\ChemApp\[Link], as described in the Configuring
Aspen Plus section.
The default entries on the Subroutines sheet indicate what
subroutine is used to call the interface. RFACT.F is delivered in
the GUI\xmp\ChemApp directory. You may modify this
subroutine, for example, to identify which equilibrium phase
should go in which stream. If there are multiple instances where

40-6 • Using FACT and ChemApp with Aspen Plus Aspen Plus 11.1 User Guide
 you must identify which phase should go in which stream, you can
make multiple copies of RFACT.F (perhaps named RFACT1.F,
RFACT2.F, etc.), and reference them appropriately.
The type of equilibrium calculation to perform, the equilibrium
conditions and the list of possible product species are all specified
on the Configured Variables sheet. The example shown in the
figure below shows the specifications for equilibrium at a specified
pressure and temperature.

Aspen Plus 11.1 User Guide Using FACT and ChemApp with Aspen Plus • 40-7
 ChemApp Calculation There are four calculation types. Each one has a code value that is
Types indicated in the first field (CALC_TYPE_1_TO_4). The codes are
summarized below. Target codes 3 and 4 require the specification
of a target phase or species and a temperature range.
Calculation State variables (in order Comments
Code of specification)
1 P, T
2 P, ∆H
3 P, Tmin, Tmax Formation target on first
phase/species in product list
4 P, Tmin, Tmax Precipitation target on first
phase/species in product list
The state variables are specified in the real array. The choice and
number of state variables depends on the Calculation Code as
indicated above. Pressure is always the first variable, followed by
either a temperature, ∆H, or temperature range. Target calculations
require that the user enter a temperature range with Tmin always
being the first.
All specifications for state variables must use these units of
measure:
State Variable Units
Pressure Pa
Temperature K
Enthalpy W
Specifying the ChemApp For target calculations, the number of targets
Target Phase (NO_OF_TARGETS_1_MAX) should be specified as one. The
only valid specifications for the number of targets is zero or one.
The target phase or component can specified once
NO_OF_TARGETS_1_MAX has been set to one.

40-8 • Using FACT and ChemApp with Aspen Plus Aspen Plus 11.1 User Guide
 Specifying ChemApp Product species and phases (other than a target) can be specified in
Products two ways. You can specify a solution phase, or individual species
within a phase (or a combination of the two). Certain rules must
apply to avoid ambiguity.
Pure component species can be referenced as a group by specifying
their state name(s). When a state name is used, all species with the
appropriate phase designation are considered as possible product
species. The GAS state name will consider all the gases to be an
ideal gas phase mixture. These interpretations are summarized in
the table below.
State Name Interpretation
GAS All gaseous species in an ideal gas phase (phase
designation G)
LIQUIDS All pure component liquids as stoichiometric species
(phase designation L)
SOLIDS All pure component solids as stoichiometric species
(phase designation S)
Solutions can be referenced by their phase designations (solution
names) as well. When a solution name is specified, all species in
that solution are considered as possible products. Entering the
solution name twice indicates the possibility of phase separation in
partially miscible solutions.
In certain cases you may want to consider only specific species
from solution phase or state. To do this, specify the Component ID
of those species as it is given on the Components | Specifications
| Selection sheet. Interpretations differ depending on the phase
designation. If the phase designation is a solution name or is G,
then it is still considered a member of a solution, unless it is the
only member of that solution present in the list. If the phase
designator is L or S, then it is treated as a pure compound. When a
solution uses the quasichemical solution model, the specification
of a component in the solution will automatically activate other
components in the same solution.

Note: When specifying components individually, it is often easiest

to use copy/paste to copy the entire list of component names from
the Components | Specifications | Selection sheet.

Aspen Plus 11.1 User Guide Using FACT and ChemApp with Aspen Plus • 40-9
40-10 • Using FACT and ChemApp with Aspen Plus Aspen Plus 11.1 User Guide
Index
template: 2-14
A Air separation: 2-14
Algorithms
Accounting report information: 5-6
optimization: 23-9
Accuracy
sequencing: 17-18
evaluating of parameters: 31-14
Algorithms: 17-18, 23-9
Accuracy: 31-14
Aliases
ACM
equation-oriented (EO): 18-40
licensing of exported flowsheets 10-33
Aliases: 18-40
using with Aspen Plus: 10-31
Ambient pressure
ACM flowsheets
changing default: 5-5
modifying: 10-32
Ambient pressure: 5-5
ACM flowsheets: 10-32
Analysis
ACM: 10-31
light ends: 32-5
Active links
Analysis: 32-5
saving files: 37-18
Annotations
Active links: 37-13, 37-18
adding to plots: 13-7
Active set initialization parameters (DMO)
specifying text attributes: 14-4
specifying: 17-42
Annotations: 13-7, 14-4
Active set initialization parameters (DMO):
Appearance
17-42
changing for flowsheets: 4-13
ActiveX automation
Appearance: 4-13
using: 38-1
Applications
ActiveX automation: 38-1
examples: 2-22
Activity coefficient models
Applications: 2-22
binary parameters: 8-6
Aspen Custom Modeler
Activity coefficient models: 8-6
using with Aspen Plus: 10-31
AD
Aspen Custom Modeler: 10-31
using with Aspen Plus: 10-31
Aspen Dynamics
AD: 10-31
using with Aspen Plus: 10-31
ADA/PCS
Aspen Dynamics: 10-31
about: 32-1
Aspen Modeler flowsheets
ADA/PCS: 32-1
modifying: 10-32
Add New Curve: 13-14
Aspen Modeler flowsheets: 10-32
Adding
Aspen Modeler products
components to lists: 6-15
using with Aspen Plus: 10-31
text: 13-7
Aspen Modeler products: 10-31
Adding: 6-15, 13-7
AspenPlus
Air separation

Aspen Plus 11.1 User Guide Index • 1

 and process simulation: 2-1 objects: 38-34
automation server: 38-1 tree structure: 38-7
document files: 15-2 user interface: 38-26, 38-28
AspenPlus: 2-1, 15-2, 38-1 using: 38-2
AspenTech Automation server
homepage: 3-4 setting up: 38-2
improving our help: 3-6 using: 38-1, 38-2
website: 3-4 Automation server: 38-1, 38-2
AspenTech: 3-4, 3-6 Automation: 38-2, 38-7, 38-18, 38-20, 38-
Assay Data Analysis 22, 38-24, 38-26, 38-27, 38-28, 38-29,
run type description: 2-4 38-34
using: 32-2 Axis mapping: 13-10
Assay Data Analysis: 2-4, 32-2
Assays B
creating blends: 32-7
Backup files
creating: 32-3
about: 15-3
Assays: 32-3, 32-7
exporting: 15-5
Atom numbers: 30-7
importing: 15-5
Attaching images: 37-11
saving: 15-4
Attributes
Backup files: 15-3, 15-4, 15-5
changing plot: 13-8
Balance blocks
meta-data: 38-12
convergence: 25-4
multi-dimensioned variables: 38-12
creating: 25-2
node: 38-11
defining: 25-1
value related: 38-11
overview: 25-1
variable nodes: 38-12
sequencing: 25-5
Attributes: 13-8, 38-11, 38-12
Balance blocks: 25-1, 25-2, 25-4, 25-5
AttributeType: 38-11
Batch Operation button: 5-17, 5-21
AttributeValue: 38-11
Batch runs
Automation
starting: 11-9
about: 38-2
status: 11-9
accessing column temperature profiles:
Batch runs: 11-1, 11-9
38-20
Batch stream results: 5-17, 5-21
classes: 38-34
Binary components
clients: 38-29
databanks search order: 16-8
connecting to the engine: 38-28
Binary components: 16-8
controlling simulation: 38-29
Binary data
dialog boxes: 38-28
generating: 31-8
error handling: 38-2
Binary data: 31-8
events: 38-27
Binary parameters
example: 38-22
list of available: 8-5
exporting files: 38-34
Binary parameters: 8-5
flowsheet connectivity: 38-24
Blends
libraries: 38-26
creating: 32-7
model library: 38-26
specifying: 32-8
non scalar data: 38-18
Blends: 32-7, 32-8

2 • Index Aspen Plus 11.1 User Guide

Blocks help on: 3-2
aligning: 4-16 Buttons: 3-2
attaching images: 37-11
balance: 25-1 C
Calculator: 19-1
Calculate sheet
changing icons: 4-15, 4-16
using: 19-7
convergence results: 12-5
Calculate sheet: 19-7
creating pressure relief: 33-2
Calculations
Excel Calculator: 19-1, 19-4
checking status: 11-7
finding: 4-9
defining order: 17-16
Fortran: 19-1, 19-3
iterative: 5-10
IDs: 4-15
molar volume: 5-12
moving between sections: 4-21
molecular weight: 5-9
moving: 4-14, 4-15
Pressure Relief: 33-23, 33-24
naming: 4-11
prop-set: 5-10
placing in flowsheet: 4-2
reinitializing: 5-10
reinitializing: 20-5, 26-3
sheet: 5-7
renaming: 4-11
stopping: 33-23
requesting heating/cooling curves: 10-36
Calculations: 5-7, 5-9, 5-10, 5-12, 11-7, 17-
resizing icons: 4-16
16, 33-23, 33-24
rotating icons: 4-15
Calculator
sensitivity: 20-3
blocks: 19-1
transfer: 24-2
execution time: 19-7
user defined: 17-8
Export Variables: 19-9
Blocks: 4-2, 4-9, 4-11, 4-14, 4-15, 4-16, 4-
loops: 19-8
21, 10-36, 12-5, 17-8, 19-1, 19-3, 19-4,
specifying execution: 19-7
20-3, 20-5, 24-2, 25-1, 26-3, 33-2, 37-
specifying tear variables: 19-9
11
Write Variables: 19-9
BLOCK-VEC variable type 18-16, 18-24
Calculator: 19-1, 19-7, 19-8, 19-9
Bookmarks
CAPE-OPEN
using: 4-10
DAIS Trader (CORBA): 10-30
Bookmarks: 4-10
unit operation models: 10-30
bound types (EO)
CAPE-OPEN: 10-30
hard: 18-33
CCD
relaxed: 18-33
about: 10-29
soft: 18-34
CCD: 10-29
bound types (EO): 18-33, 18-34
CFuge
bounds
about: 10-29
EO variabes: 18-32
CFuge: 10-29
bounds: 18-32
Checking
Bracketing
fortran syntax: 19-12
Secant method: 17-11
Checking: 19-12
Bracketing: 17-11
ChemApp 40-1
Browse buttons: 1-11
Chemicals template: 2-15
Broyden method: 17-12
ChemSage files 40-1
Buttons
CISOLID substream: 18-14

Aspen Plus 11.1 User Guide Index • 3

ClChng defining groups: 6-25
about: 10-26 defining: 6-23
ClChng: 10-26 deleting: 6-16
Client server electrolyte: 6-17
file management: 15-13 generating required: 6-17
Client server: 15-13 groups: 6-25
Column profiles 18-16 Henry’s: 6-23
accessing 18-16 identifying as solids: 6-20
COM IDs: 6-16
unit operation models: 10-30 list: 6-15
COM: 10-30 nonconventional: 6-22, 7-20
Commands nondatabank: 6-7
controlling simulations: 11-3 properties: 7-20
Commands: 11-3 renaming: 6-16
Comments search order: 16-8
entering: 1-17 solid 6-12, 6-13
Comments: 1-17 specifying: 6-4, 6-7
Compattr_Vec and PSD_Vec variable types supercritical: 6-23, 7-13, 8-3
to access 18-15 Components: 6-4, 6-7, 6-15, 6-16, 6-17, 6-
complete dissociation reactions: 27-5 20, 6-21, 6-22, 6-23, 6-25, 7-13, 7-20,
Completeness 8-3, 9-4, 16-8
checking flowsheet: 4-10 Composition
checking: 4-10 streams: 9-4
entire flowsheet: 2-7, 4-10 Composition: 9-4
flowsheet: 4-10 Connecting to the engine
forms: 2-7 automation: 38-28
messages: 12-4 Connecting to the engine: 38-28
status: 2-7 Connectivity
Completeness: 2-7, 4-10, 12-4 changing: 4-11
Completion status incompleteness: 4-10
checking: 12-3 Connectivity: 4-10, 4-11
displaying: 1-9 Constraints
forms: 2-7 about: 23-5
Completion status: 1-9, 2-7, 12-3 defining: 23-5
COMPLEX method: 17-14, 23-9 specifying expression: 23-7
Component attributes: 6-20, 6-21 Constraints: 23-5, 23-7
Components 6-12, 6-15 Control Panel
adding to list: 6-15 about: 11-2
attributes: 6-20, 6-21 messages: 12-4
Component Data tab: 16-8 status messages: 11-7
composition: 6-20, 6-21 viewing: 12-4
concentrations: 9-4 Control Panel messages: 17-24
conventional 6-9 Control Panel output
conventional: 6-21 DMO solver: 17-40
databank: 6-4 LSSQP solver: 17-56
defining 6-9, 6-12 Control Panel output: 17-40, 17-56

4 • Index Aspen Plus 11.1 User Guide

Control Panel: 11-2, 11-7, 12-4 Convergence: 12-5, 17-35, 23-2
Controls Conversion formats: 16-12
commands: 11-3 Copy with Format command: 37-3
Controls: 11-3 Copying
Conventional components 6-9 about: 37-1
assigning attributes: 6-21 Copy with Format: 37-3
defining 6-9 data: 37-2
Conventional components: 6-21 plots: 37-10
Conventional solids Copying: 37-1, 37-2, 37-3, 37-10
about: 6-20 CORBA
Conventional solids: 6-20 use with CAPE-OPEN models: 10-30
Convergence CORBA: 10-30
equation-oriented (EO): 17-35 Creep mode (DMO)
optimization: 23-2 using: 17-40
overriding defaults: 23-2 Creep mode (DMO): 17-40
results: 12-5 Crusher
Convergence (EO) about: 10-28
options: 17-36 Crusher: 10-28
Convergence (EO): 17-36 Crystallizer
Convergence (SM) about: 10-27
Broyden method: 17-12 Crystallizer: 10-27
COMPLEX method: 17-14 Cursor
defining blocks: 17-8 changes: 4-2
defining order: 17-16 shapes: 4-2
diagnostics: 17-24 Cursor: 4-2
DIRECT method: 17-11 Curves
identifying problems: 17-11 additional reports for blends: 32-8
Newton method: 17-13 gravity: 32-4
numerical methods: 17-5 molecular weight: 32-5
obtaining final sequence: 17-19 petroleum property: 32-5
options: 17-3 viscosity: 32-6
problems: 17-30 Curves: 32-4, 32-5, 32-6, 32-8
results: 17-23 Customizing
Secant method: 17-11 toolbars: 16-5
sheets: 17-3 Customizing: 16-5
special options: 17-20 Cutting and pasting
specifying parameters: 17-3 from applications to AspenPlus: 37-7
SQP method: 17-14 into other applications: 37-6
strategies: 17-26 within AspenPlus: 37-4
Wegstein method: 17-9 Cutting and pasting: 37-4, 37-6, 37-7
Convergence (SM): 17-3, 17-5, 17-8, 17-9, Cyclone
17-11, 17-12, 17-13, 17-14, 17-16, 17- about: 10-28
19, 17-20, 17-23, 17-24, 17-26, 17-30 Cyclone: 10-28
Convergence blocks
results: 12-5 D
Convergence blocks: 12-5
DAIS Trader

Aspen Plus 11.1 User Guide Index • 5

 use with CAPE-OPEN models: 10-30 components: 6-4
DAIS Trader: 10-30 molecular weight: 5-9
Data search order: 16-8
adding curves to plots: 13-13 searching: 16-9
copying: 37-2 viewing list: 6-2
definition: 8-1 Databanks: 5-9, 6-2, 6-4, 16-8, 16-9
deleting from plots: 13-14 Defaults
displaying for plots: 13-2 calculation reinitializing: 5-10
global: 14-6 changing for plots: 13-15
lines: 13-8 for diagnostic information: 5-7
packages: 34-1 overriding simulation option: 5-7
pasting: 37-4 restoring on sheets: 1-13
points: 13-14 setting: 16-5
Data Browser stream class: 4-21, 5-4
finding blocks in flowsheet: 4-9 system options: 5-13
opening: 1-7 Defaults: 1-13, 4-21, 5-4, 5-7, 5-10, 5-13,
status indicators: 1-9 13-15, 16-5
Data Browser: 1-7, 1-9, 4-9 Define sheet 18-4, 18-5, 19-4, 19-6, 20-3,
Data Fit 20-4, 21-3, 21-4, 23-3, 23-4, 23-6, 23-7,
troubleshooting: 23-37 23-25
Data Fit regression using 18-4, 19-4, 20-3, 21-3, 23-3, 23-6,
defining: 23-30 23-25
Data Fit regression: 23-30 Deleting
Data Fit results: 23-36 objects: 34-6
Data Fit: 23-37 Deleting: 34-6
Data regression Descriptions
about: 31-1 viewing: 2-22
accuracy of model parameters: 31-14 Descriptions: 2-22
deviations of measurement: 31-9 Design rules
phase equilibrium: 31-4 Pressure Relief: 33-10
problems: 31-15 Design rules: 33-10
property methods: 31-2 Design specifications
results: 31-15 creating: 21-3
setting up: 31-2 Design specifications: 21-3
Data Regression Diagnostics
run type description: 2-4 changing level for convergence: 17-24
Data regression: 31-1, 31-2, 31-4, 31-9, 31- messages: 5-6
14, 31-15 sheet: 5-6
Data Regression: 2-4 Diagnostics: 5-6, 17-24
Data values Dialog boxes
obtaining: 38-9 automation: 38-28
Data values: 38-9 display help on: 3-2
Data: 8-1, 13-2, 13-8, 13-13, 13-14, 14-6, Dialog boxes: 3-2, 38-28
34-1, 37-2, 37-4 Direct method: 17-11
Databanks dissociation reactions: 27-5
about: 6-2 DMO Adv form

6 • Index Aspen Plus 11.1 User Guide

 QP2 sheet: 17-42 AspenPlus: 15-2
Search sheet: 17-43 Documents: 15-2
DMO Adv form: 17-42, 17-43 Dot notation
DMO Basic form using: 38-9
Basic sheet: 17-39 Dot notation: 38-9
Report sheet: 17-40 DSTWU
DMO Basic form: 17-39, 17-40 about: 10-12
DMO maximum number of allowed DSTWU: 10-12
iterations DynamicInput form: 33-18
changing: 17-39 DynamicResults form: 33-26
DMO maximum number of allowed
iterations: 17-39 E
DMO objective function convergence
Editor
tolerance
specifying: 15-14
changing: 17-39
Editor: 15-14
DMO objective function convergence
ELECNRTL property method: 2-16
tolerance: 17-39
electrolyte chemistry
DMO residual convergence tolerance
equilibrium constants: 27-5
changing: 17-39
specifying: 27-3
DMO residual convergence tolerance: 17-39
electrolyte chemistry: 27-2, 27-3, 27-5
DMO solver 17-49
Electrolyte Wizard
applying a trust region: 17-43
about: 6-17
changing parameters: 17-39
generated electrolyte reactions: 6-19
creep mode: 17-40
Electrolyte Wizard: 6-17, 6-19
handling infeasible solutions: 17-50
Electrolytes
handling singularities: 17-51
generated reactions: 6-19
scaling 17-49
rules for modeling: 7-16
troubleshooting: 17-49
systems: 6-17
variable bounding: 17-52
template: 2-16
DMO solver parameters
Electrolytes: 2-16, 6-17, 6-19, 7-16
active set initialization: 17-42
Embedded objects are saved as part of a run:
control panel report: 17-40
37-23
convergence tolerance: 17-39
Embedding
creep mode: 17-40
objects: 37-21, 37-22
iteration limits: 17-39
Embedding: 37-21, 37-22
maximum iterations: 17-39
Emergency events
micro-infeasibility handling: 17-42
describing: 33-18
trust region: 17-43
Emergency events: 33-18
DMO solver parameters: 17-39, 17-40, 17-
Energy balance equations: 25-5
42, 17-43
Energy balances
DMO solver: 17-37, 17-39, 17-40, 17-43,
specifying: 25-3
17-49, 17-50, 17-51, 17-52
stream variables: 25-4
Documentation
Energy balances: 25-3, 25-4
available: 3-3
Engine connection
Documentation: 3-3
automation: 38-28
Documents
Engine connection: 38-28

Aspen Plus 11.1 User Guide Index • 7

EO aliases: 18-40 EO Sensitivity Configuration sheet: 20-12
EO Conv form EO Sensitivity Results sheet: 20-13
EO to SM sheet: 17-36 EO sensitivity: 20-11, 20-12, 20-13
SM Init sheet: 17-36 EO solver
SM to EO sheet: 17-36 specifying: 17-36
Solver sheet: 17-36 EO solver report
EO Conv form: 17-36 DMO basic iteration information: 17-45
EO convergence 17-49 DMO constrained variables: 17-46
DMO solver problems: 17-49 DMO general iteration information: 17-47
DMO solver: 17-37 DMO largest unscaled residuals: 17-45
LSSQP solver problems: 17-63 DMO problem information: 17-45
LSSQP solver: 17-53 DMO shadow price: 17-46
scaling objective function 17-49 DMO: 17-44
EO convergence options LSSPQ basic iteration information: 17-59
SM intialization parameters: 17-36 LSSQP constrained variables: 17-60
solver: 17-36 LSSQP inactive equations: 17-61
Wegstein acceleration parameters: 17-36 LSSQP independent variables: 17-59
EO convergence options: 17-36 LSSQP largest block RMS residuals: 17-
EO convergence: 17-35, 17-37, 17-49, 17- 62
53, 17-63 LSSQP largest scaled residuals: 17-61
EO model LSSQP largest scaled variable changes:
synchronizing: 18-35 17-61
EO model: 18-35 LSSQP line search information: 17-62
EO ports LSSQP objective and worst merit function
attributes: 18-41 contributors: 17-63
creating: 18-41 LSSQP shadow price: 17-60
mole fraction variable naming LSSQP: 17-58
conventions: 18-30 nonlinearity ratios (DMO): 17-48
port types: 18-40 EO solver report: 17-44, 17-45, 17-46, 17-
EO ports: 18-30, 18-40, 18-41 47, 17-48, 17-58, 17-59, 17-60, 17-61,
EO script parameters 17-62, 17-63
relaxed bound tolerance: 18-33 EO solver: 17-36
soft bound status: 18-34 EO variable attributes: 18-31
step bound status: 18-33 EO variable bound types
EO script parameters: 18-33, 18-34 hard: 18-33
EO sensitivity relaxed: 18-33
calculating: 20-13 soft: 18-34
configuring variable set: 20-12 EO variable bound types: 18-33, 18-34
creating: 20-11 EO variable bounds: 18-32
evaluate Jacobian: 20-12 EO variable naming conventions
force variable specifications: 20-13 equations: 18-29
objective function: 20-12 mole fraction models: 18-29
view results: 20-13 mole fraction ports: 18-30
EO sensitivity analysis mole fraction streams: 18-30
perform: 20-11 EO variable naming conventions: 18-29, 18-
EO sensitivity analysis: 20-11 30

8 • Index Aspen Plus 11.1 User Guide

EO variables 18-28 Estimation: 16-10, 30-12, 30-14, 30-19, 30-
accessing: 18-34 20, 30-21
aliases: 18-40 Events
copying: 18-35 automation: 38-27
displaying: 18-35 Events: 38-27
ports: 18-41 Excel
query guidelines: 18-39 copying data from: 37-7
querying: 18-39 unit operation models: 10-30
specifying for sensitivity: 20-12 updating links: 37-21
EO Variables dialog box Excel Calculator
customizing: 18-38 blocks: 19-1, 19-4
EO Variables dialog box: 18-38 creating blocks: 19-4
EO Variables form Excel Calculator: 19-1, 19-4
customizing: 18-36 Excel: 10-30, 37-7, 37-21
sorting: 18-36 Expert system
EO Variables form: 18-35, 18-36 using: 1-13
EO variables: 18-34, 18-35, 18-39, 18-40, Expert system: 1-13
18-41, 20-12 Export Variables
equations about: 19-8
EO variable naming conventions: 18-29 Export Variables: 19-8
Equations of state Exporting
binary parameters: 8-5 files: 15-11
property methods: 7-3 Exporting files
specifying extrapolation threshold: 5-12 automation: 38-34
Equations of state: 5-12, 7-3, 8-5 Exporting files: 38-34
equations: 18-29 Exporting: 15-11
equilibrium ionic reactions: 27-4 Extrapolation threshold
equilibrium reactions: 27-17 equations of state: 5-12
Equilibrium reactors Extrapolation threshold: 5-12
restricting: 10-24
Equilibrium reactors: 10-24 F
Errors
FabFl
automation: 38-2
about: 10-28
messages: 12-4
FabFl: 10-28
Errors: 12-4, 38-2
FACTPCD databank 40-3
ESP
FactSage 40-1
about: 10-28
Fields
ESP: 10-28
help on: 3-2
Estimation
Fields: 3-2
binary parameters: 30-14
Files
comparing with experimental data: 30-19
active links: 37-18
parameters: 30-21
AspenPlus: 15-2
results: 16-10, 30-20
backup: 15-3
temperature dependent properties: 30-12
descriptions: 2-22
turning off: 30-21
DMO active bounds report (*.atact): 17-
Estimation Compare form: 30-19
44

Aspen Plus 11.1 User Guide Index • 9

 EO solver report (*.atslv): 17-44 Flowsheet tab: 16-13
exporting: 15-11 Flowsheet variables 18-2, 18-3, 18-6, 19-4,
formats: 15-2 20-3, 21-5, 23-25, 23-26
generating: 15-11 accessing 18-2
history: 15-9 determining between 18-6
importing: 15-12 identifying 19-4, 20-3, 23-25, 23-26
managing: 15-13 identifying manipulated 21-5
report: 15-8 types 18-3
saving: 15-11 Flowsheets
summary: 15-8 aligning objects: 14-10
template: 15-6 attaching objects: 14-11
types: 15-2 changing layout: 4-13
with active links: 37-19 completeness: 4-10
with embedded objects: 37-23 connectivity: 4-10, 4-11, 38-13, 38-24
with links: 37-20 convergence: 17-26
Files: 2-22, 15-2, 15-3, 15-6, 15-8, 15-9, 15- defining: 4-1
11, 15-12, 15-13, 17-44, 37-18, 37-19, displaying global data: 14-6
37-20, 37-23 embedding objects: 37-21
Fillage global data: 14-6
specifying: 33-10 graphics: 14-3
Fillage: 33-10 large: 4-7
Filter block optimization: 17-14
about: 10-29 printing: 14-13
Filter block: 10-29 property methods: 7-12
Finding recycles: 17-2
blocks: 4-9 runs: 2-6
Finding: 4-9 saving views: 4-10
Flash Convergence sheet: 5-12 scrollbars: 4-8
Flash specifications sections: 4-20, 4-21, 4-22, 7-12, 9-18, 14-
entering: 24-5 13
Flash specifications: 24-5 sequencing: 17-18
Flash2 Snap to Grid option: 14-10
about: 10-4 stream tables: 14-2
Flash2: 10-4 unattaching objects: 14-11
Flashes viewing: 4-7, 4-8, 4-9
specifying global options: 5-12 working with large: 14-14
Flashes: 5-12 zooming: 4-8
Floating palettes Flowsheets: 2-6, 4-1, 4-7, 4-8, 4-9, 4-10, 4-
using: 1-5 11, 4-13, 4-20, 4-21, 4-22, 7-12, 9-18,
Floating palettes: 1-5 14-2, 14-3, 14-6, 14-10, 14-11, 14-13,
Flow basis 14-14, 17-2, 17-14, 17-18, 17-26, 37-
selecting: 5-4 21, 38-13, 38-24
Flow basis: 5-4 Forms
Flowsheet connectivity displaying: 1-7, 1-8
automation: 38-24 for entering property parameters: 8-8
Flowsheet connectivity: 38-24 Forms: 1-7, 1-8, 8-8

10 • Index Aspen Plus 11.1 User Guide

Fortran changing: 5-5, 5-10
about: 19-2 Global settings: 5-5, 5-10
blocks: 19-1, 19-3 GLOBAL stream class: 4-21
Calculator blocks: 19-1 Global units sets
creating blocks: 19-3 specifying: 5-4
entering: 19-7, 20-6, 21-6, 23-8 Global units sets: 5-4
hints: 19-12 Go Back button: 1-11
interpreting: 19-15 Go Forward button: 1-11
rules: 19-12 Graphics
statements: 19-6, 20-6, 21-5, 23-8 adding to flowsheets: 14-3
syntax checking: 19-12 aligning in flowsheets: 14-10
unit operation models: 10-30 Graphics: 14-3, 14-10
user models: 19-16 Gravity curves
using: 19-2 entering: 32-4
writing: 19-2 Gravity curves: 32-4
Fortran sheet Grid options
using: 20-6, 21-6, 23-8 changing: 4-9, 13-12
Fortran sheet: 20-6, 21-6, 23-8 size: 14-11
Fortran: 10-30, 19-1, 19-2, 19-3, 19-6, 19-7, Grid options: 4-9, 13-12, 14-11
19-12, 19-15, 19-16, 20-6, 21-5, 21-6, Grid size: 14-11
23-8 Groups
Free water method specific functional: 30-8
calculations: 5-5, 7-14 permanent: 14-10
phase: 7-15 specifying: 6-24
property method: 7-15 UNIFAC: 6-24
Free water: 5-5, 7-14, 7-15 Groups: 6-24, 14-10, 30-8
Guidelines 18-7
G for choosing variables 18-7
Gas Processing template: 2-13
H
General method
using: 30-6 HAP_UNITCOL attribute: 38-17
General method: 30-6 HappLS object: 38-3, 38-4
General tab: 16-6 hard bound: 18-33
General template: 2-9 Heat exchanger design program interface
Global data overview: 39-1
controling the display: 16-12 Heat exchanger design program interface:
customizing the display: 16-11 39-1
flowsheets: 14-6 heat streams
Global data: 14-6, 16-11, 16-12 load streams 9-21, 9-22
Global information Heat streams
about: 5-1 defining: 4-7
entering: 5-2 results: 12-8
specifying for flash: 5-12 Heat streams: 4-7, 12-8
Global information: 5-1, 5-2, 5-12 Heater model
Global property method: 7-11 about: 10-6
Global settings Heater model: 10-6

Aspen Plus 11.1 User Guide Index • 11

Heating/cooling curves HyCyc
requesting: 10-36 about: 10-29
Heating/cooling curves: 10-36 HyCyc: 10-29
Help Hydrometallurgy template: 2-19
dialog boxes: 3-2
getting help in Aspen Plus: 3-1 I
How To: 3-3
icon editor 16-26
improving: 3-6
icons
keeping on top: 3-1
adding
on top: 3-1 deleting 16-25
printing Help topics: 3-3 changing 16-25
printing topics: 3-3 editing 16-26
reference information: 3-3 ID conflicts
screen elements: 3-2 resolving: 34-3
searching for topics: 3-2 ID conflicts: 34-3
Help button: 3-2 Ideal property methods: 7-2
Help: 3-1, 3-2, 3-3, 3-6 IHapp object: 38-3, 38-4
Henry’s components Import Variables
defining: 6-23 about: 19-8
Henry’s components: 6-23 Import Variables: 19-8
Henry’s Law Importing
parameter requirements: 7-13, 8-3 files: 15-12
Henry’s Law: 7-13, 8-3 Importing: 15-12
Hetran Improving
about: 10-10 help: 3-6
Hetran: 10-10 Improving: 3-6
Hiding Infinite dilution activity coefficient data
objects: 34-6 using: 30-18
Hiding: 34-6 Infinite dilution activity coefficient data: 30-
History file 18
about: 15-9 Information
copying: 15-14 accessing homepage: 3-4
messages: 12-4 file descriptions: 2-22
viewing: 12-4 Information: 2-22, 3-4
History file: 12-4, 15-9, 15-14 Initial guesses
Homepage using: 17-18
Aspentech: 3-4 Initial guesses: 17-18
Host computer Initial Hessian scaling factor
changing: 11-8 changing: 17-63
copying history file: 15-14 Initial Hessian scaling factor: 17-63
specifying working directory: 15-14 Input
Host computer: 11-8, 15-14 dynamic: 33-18
How To Help: 3-3 specifications: 2-6
HTXINT Input file
overview: 39-1 editing: 11-10
HTXINT: 39-1 Input file: 11-10

12 • Index Aspen Plus 11.1 User Guide

Input: 2-6, 33-18 Libraries
Insert mode: 1-6 application examples: 2-22
Inserts automation: 38-26
about: 34-1 inserts: 34-5
creating: 34-2 Model Library: 1-5
electrolyte: 34-5 stream: 35-1
importing: 34-2 Libraries: 1-5, 2-22, 34-5, 35-1, 38-26
using library: 34-5 licensing
Inserts: 34-1, 34-2, 34-5 ACM flowsheets 10-33
Interactive runs: 11-1, 11-2 Line Styles 16-16
Interactively Load Results Link container
changing: 11-13 definition: 37-18
Interactively Load Results: 11-13 Link container: 37-18
Interoperability Link source
about: 37-1 definition: 37-18
Interoperability: 37-1 visibility of applications: 37-20
Interpreting Link source: 37-18, 37-20
Fortran: 19-15 Linking
Interpreting: 19-15 applications: 37-13
Intervals Linking results: 37-13
particle size distribution: 9-20 Linking: 37-13
Intervals: 9-20 Links
Ionic reactions saving files: 37-18
generating: 6-17 updating in Excel: 37-21
ionic reactions: 27-4 Links: 37-18, 37-21
Ionic reactions: 6-17 Live data links
about: 37-1
J Live data links: 37-1
LLE data
Jacobean
generating: 31-8
evaluate for EO sensitivity: 20-12
LLE data: 31-8
Jacobean: 20-12
load streams 9-21
Loops
K
converging: 19-8
kinetics Loops: 19-8
user defined subroutines: 27-24 LSSQP Basic form
kinetics: 27-24 Basic sheet: 17-54
Report sheet: 17-56
L LSSQP Basic form: 17-54, 17-56
Langmuir-Hinshelwood-Hougen-Watson LSSQP convergence tolerance
reactions: 27-13 changing: 17-54
Layout LSSQP convergence tolerance: 17-54
flowsheet: 4-13 LSSQP iteration limits
Layout: 4-13 changing: 17-54
LHHW rate-controlled reactions: 27-14 LSSQP iteration limits: 17-54
LHHW reactions: 27-13 LSSQP maximum feasibility corrections

Aspen Plus 11.1 User Guide Index • 13

 changing: 17-54 mixed mode
LSSQP maximum feasibility corrections: EO to SM parameter: 17-36
17-54 SM to EO switch parameters: 17-36
LSSQP solver mixed mode: 17-36
changing parameters: 17-54 MIXED substream: 18-12
infeasible QP’s: 17-66 model
infeasible solutions: 17-65 synchronizing: 18-35
scaling: 17-63 Model library 16-21, 16-22, 16-24
singularities: 17-65 adding
troubleshooting: 17-63 deleting icons 16-25
variable bounding: 17-66 adding models 16-20
LSSQP solver parameters automation: 38-26
control panel report: 17-56 changing icons 16-25
convergence tolerance: 17-54 Model Library
iteration limits: 17-54 about: 1-5
LSSQP solver parameters: 17-54, 17-56 undocking: 1-5
LSSQP solver: 17-53, 17-54, 17-63, 17-65, Model library: 38-26
17-66 Model Library: 1-5
model: 18-35
M Modes
PFD: 14-6
Mass balance only simulations Workbook: 16-17
calculations: 9-3 Modes: 14-6, 16-17
unit operation models: 5-9 mole fraction models
Mass balance only simulations: 5-9, 9-3 EO variable naming conventions: 18-29
Mass balances mole fraction models: 18-29
specifying: 25-3 mole fraction streams
stream variables: 25-4 EO variable naming conventions: 18-30
Mass balances: 25-3, 25-4 mole fraction streams: 18-30
Material balance equations: 25-5 Molecular structure
Material streams defining: 30-6, 30-8
specifying: 9-2 Molecular structure: 30-6, 30-8
Material streams: 9-2 Molecular weight curves
Menus entering: 32-5
help on: 3-2 Molecular weight curves: 32-5
Menus: 3-2 Molecular weight: 5-9
Messages Mouse pointer
control panel: 17-24 changes: 4-2
diagnostic: 5-6 shapes: 4-2
progress: 5-6 Mouse pointer: 4-2
setting levels: 5-6 Mult
Messages: 5-6, 17-24 about: 10-26
Meta-data attributes: 38-12 Mult: 10-26
Method specific functional groups: 30-8 Multi-dimensioned variable node attributes:
Micro-infeasibility handling (DMO) 38-12
using: 17-42
Micro-infeasibility handling (DMO): 17-42

14 • Index Aspen Plus 11.1 User Guide

N error handling: 38-2
naming conventions HappLS: 38-3, 38-4
EO variables: 18-29 hiding: 34-6
naming conventions: 18-29 IHapp: 38-3, 38-4
Naming options revealing: 34-6
setting: 16-13 tree structure: 38-7
specifying: 4-11 unattaching: 14-11
Naming options: 4-11, 16-13 viewing properties: 38-3
NC substream: 18-14 Objects: 14-11, 34-6, 37-21, 37-22, 38-2,
Newton method: 17-13 38-3, 38-4, 38-7, 38-8
Next button: 1-10 Offspring nodes
Node attributes obtaining: 38-18
about: 38-11 Offspring nodes: 38-18
Node attributes: 38-11 OLE automation
Node objects about: 37-1
tree structure: 38-7 OLE automation: 37-1
Node objects: 38-7 Online
Nodes options 16-17
offspring: 38-18 Online applications library: 2-22
Nodes: 38-18 Optimization
Non scalar data about: 23-1
accessing: 38-18 algorithms: 23-9
Non scalar data: 38-18 constraints: 23-5
Nonconventional components convergence: 23-2
attributes: 6-22 creating: 23-3
physical properties: 7-20 problems: 17-14
solids: 6-20 recommendations: 23-2
Nonconventional components: 6-20, 6-22, 7- troubleshooting: 23-10
20 Optimization problems: 23-2
Nondatabank components: 6-7 Optimization: 17-14, 23-1, 23-2, 23-3, 23-5,
Numerical methods 23-9, 23-10
parameters: 17-6 Options
specifying: 17-5 setting default: 16-5
Numerical methods: 17-5, 17-6 specifying general: 16-6
Options: 16-5, 16-6
O
P
Object Browser: 38-3
Object Manager: 1-12 Paired scrolling: 38-22
objective function 17-49 Parameter variables 18-7
changing the scale 17-49 about 18-7
EO sensitivity: 20-12 Parameters
objective function: 20-12 activity coefficient: 8-6
Objects automatic sequencing: 17-5
attaching to flowsheets: 14-11 binary: 8-5
collection: 38-8 definition: 8-1
embedding: 37-21, 37-22 equations of state: 8-5

Aspen Plus 11.1 User Guide Index • 15

 forms: 8-8 Phases: 5-5
Henry’s Law requirements: 8-3 Pipe model
mass and energy balance: 8-2 diameters: 33-16
numerical methods: 17-6 Pipe model: 33-16
requirements: 8-2 Pipe Schedules tables: 33-16
tear stream selection: 17-5 Pitzer
ternary: 8-17 ternary parameters: 8-17
Parameters Electrolyte Ternary form: 8-17 Pitzer: 8-17
Parameters: 8-1, 8-2, 8-3, 8-5, 8-6, 8-8, 8- Place
17, 17-5, 17-6 using: 4-18
Particle size distribution Place: 4-18
creating: 9-20 Plot Text Settings dialog box: 13-7
specifying intervals: 9-20 Plot Wizard
Particle size distribution: 9-20 using: 13-2
Pasting Plot Wizard: 13-2
about: 37-1 Plots
AspenPlus data into applications: 37-6 adding text: 13-7
data: 37-4 annotating: 13-7
from other applications: 37-7 attaching to blocks: 37-11
plots: 37-10 attaching to flowsheets: 37-11
Pasting: 37-1, 37-4, 37-6, 37-7, 37-10 attributes: 13-9
Permanent groups axes: 13-11
creating: 14-10 axis mapping: 13-10
Permanent groups: 14-10 changing defaults: 13-15
PetroFrac changing grid options: 13-12
about: 2-10, 10-18 changing properties: 13-8
PetroFrac: 2-10, 10-18 changing text: 13-11
Petroleum mixtures comparing results: 13-14
defining: 32-1 copying to other applications: 37-10
Petroleum mixtures: 32-1 curves: 13-13, 13-14
Petroleum properties deleting data: 13-14
defining: 32-16 displaying data: 13-2
Petroleum properties: 32-16 experimental data: 31-10
Petroleum property curves generating: 13-2
entering: 32-5 legends: 13-9
Petroleum property curves: 32-5 modifying text: 13-7
Petroleum template: 2-10 pasting onto flowsheet: 37-10
PFD mode printing: 13-16
using: 14-6 range of data: 13-15
PFD mode: 14-6 regression results: 31-16
Pharmaceuticals template: 2-18 scale options: 13-11
phase qualifiers selecting variables: 13-6
specifying: 28-3 titles: 13-11
phase qualifiers: 28-3 updating: 13-13
Phases zooming: 13-15
specifying valid: 5-5

16 • Index Aspen Plus 11.1 User Guide

Plots: 13-2, 13-6, 13-7, 13-8, 13-9, 13-10, help: 3-3
13-11, 13-12, 13-13, 13-14, 13-15, 13- large flowsheets: 14-14
16, 31-10, 31-16, 37-10, 37-11 plots: 13-16
Point Data data sets Printing: 3-3, 4-22, 13-16, 14-13, 14-14
creating: 23-24 Pro/II
Point Data data sets: 23-24 converting files from 15-15
Polar nonelectrolyte systems (diagram): 7- Procedural help: 3-3
10 Process flow diagrams
Polynomials creating: 14-8
adjusting for pressure: 8-26 Process flow diagrams: 14-8
adjusting reference states: 8-24 Process Flowsheet toolbar: 4-9
Polynomials: 8-24, 8-26 Process Flowsheet window
Port attributes for flowsheet connectivity: about: 1-5
38-13 Process Flowsheet window: 1-3, 1-5, 16-3
Ports Process simulation
changing: 4-12 about: 2-1
equation-oriented (EO): 18-40 Process simulation: 2-1
Ports: 4-12, 18-40 Profile Data data sets
power law expressions: 27-10, 27-19 creating: 23-28
power law reactions: 27-7 Profile Data data sets: 23-28
precipitation reactions Profile variables 23-28
for RadFrac: 27-22 identifying 23-28
precipitation reactions: 27-4, 27-22 Progress
pressure qualifiers messages: 5-6
specifying: 28-4 viewing simulation: 11-2
pressure qualifiers: 28-4 Progress: 5-6, 11-2
Pressure Relief properties 28-5, 28-6
about: 33-1 searching for: 28-3
calculations: 33-23, 33-24 user-defined 28-5
creating block: 33-2 Properties Parameters Pure Components
devices: 33-13 USRDEF-1 form 6-9
results: 33-24 Properties PLUS
rules: 33-10 run type description: 2-4
scenarios: 33-3, 33-5 Properties PLUS: 2-4
specifying: 33-22 properties: 28-3
stopping calculations: 33-23 Property analysis
streams: 33-6 run type description: 2-4
venting systems: 33-12 streams: 9-8
Pressure Relief: 33-1, 33-2, 33-3, 33-5, 33- Property Analysis
6, 33-10, 33-12, 33-13, 33-22, 33-23, about: 29-2
33-24 Property analysis: 2-4, 9-8
Printed documentation: 3-3 Property Analysis: 29-2
Printing Property Estimation
flowsheet sections: 4-22, 14-13 run type description: 2-4
flowsheets: 14-13 Property Estimation: 2-4
Help topics: 3-3 Property methods

Aspen Plus 11.1 User Guide Index • 17

 about: 7-1 user defined: 32-13
activity coefficient (diagram): 7-11 Pseudocomponents: 2-10, 32-10, 32-11, 32-
activity coefficient: 7-3 12, 32-13, 32-14, 32-15
base: 7-18 Pseudoproduct streams: 4-7, 9-24
choosing (diagram): 7-10, 7-11 Pump model
choosing: 7-5 about: 10-25
data regression: 31-2 Pump model: 10-25
ELECNRTL: 2-16 Pure components
equations of state: 7-3 databanks search order: 16-8
flowsheet sections: 7-12 Pure components: 16-8
free water phase: 7-15 pyrometallurgical processes 40-1
global: 7-11 Pyrometallurgy template: 2-20
ideal: 7-2
lists of all: 7-2 Q
modifying: 7-17, 7-18
Query dialog box
overriding global: 7-12
EO variables: 18-39
pseudocomponent: 2-10, 32-15
Query dialog box: 18-39
special systems: 7-5
specifying for flowsheet section: 7-12
R
specifying local: 7-12
Property methods: 2-10, 2-16, 7-1, 7-2, 7-3, rate-controlled reactions: 27-19
7-5, 7-10, 7-11, 7-12, 7-15, 7-17, 7-18, RateFrac
31-2, 32-15 about: 10-21
Property package RateFrac: 10-21
creating: 34-5 RBatch
Property package: 34-5 about: 10-25
Property parameters RBatch: 10-25
forms: 8-8 Reaction stoichiometry: 5-11
requirements: 8-2 reactions
Property parameters: 8-2, 8-8 complete dissociation: 27-5
property sets electrolyte chemistry: 27-2, 27-3
about: 28-1 equilibrium
defining: 28-2 for RCSTR only: 27-8, 27-13
phase qualifiers: 28-3 equilibrium constants: 27-5
pressure qualifiers: 28-4 equilibrium ionic: 27-4
temperature qualifiers: 28-4 equilibrium: 27-17
property sets: 28-1, 28-2, 28-3, 28-4 ionic: 27-4
Prop-set calculations Langmuir-Hinshelwood-Hougen-Watson
flash fails: 5-10 (LHHW): 27-13
Prop-set calculations: 5-10 non-electrolyte equilibrium: 27-2
Pseudocomponents power law expressions: 27-10, 27-19
about: 32-10 power law: 27-7
generating: 32-11 rate-based: 27-2
naming options: 32-12 rate-controlled
for LHHW: 27-14
property methods: 2-10, 32-15
rate-controlled: 27-2, 27-10, 27-19
temperature dependent: 32-14
reactive distillation: 27-16

18 • Index Aspen Plus 11.1 User Guide

 salt precipitation Relief devices
for RadFrac only: 27-22 specifying: 33-13
salt precipitation: 27-4 Relief devices: 33-13
types: 27-1 Reorder Comps button: 6-15
reactions: 27-1, 27-2, 27-3, 27-4, 27-5, 27-7, Reports
27-8, 27-10, 27-13, 27-14, 27-16, 27- accounting: 5-6
17, 27-19, 27-22 DMO active bound: 17-44
reactive distillation EO solver report (DMO): 17-44
specifying reactions: 27-16 EO solver report (LSSQP): 17-58
reactive distillation: 27-16 exporting: 12-9
Reactive systems files: 15-8
specifying: 33-22 generating: 8-5, 12-8
Reactive systems: 33-22 saving: 12-9
Reactors specifying options: 5-17
about: 10-23 stream: 5-20
Reactors: 10-23 supplementary streams: 5-22
Read Variables viewing: 12-10
about: 19-8 Reports: 5-6, 5-17, 5-20, 5-22, 8-5, 12-8, 12-
Read Variables: 19-8 9, 12-10, 15-8, 17-44, 17-58
Recycles Resolve ID Conflicts dialog box: 34-3
about: 17-2 Restoring
Recycles: 17-2 defaults on sheets: 1-13
Redrawing Restoring: 1-13
flowsheet with Place and Unplace: 4-18 Results
Redrawing: 4-18 Assay Data Analysis: 32-17
Reference batch stream: 5-17, 5-21
help on: 3-3 comparing on a plot: 13-14
Reference states completeness: 12-4
adjusting for tabular data: 8-24 copying regression and estimation: 16-10
ionic species: 8-4 data fit: 23-36
Reference states: 8-4, 8-24 data regression: 31-15
Reference: 3-3 displaying: 12-6
Regression dynamic: 33-26
formulating case: 31-10 EO Variables: 12-8
problems: 31-15 estimation: 16-10, 30-20
results: 16-10, 31-15 examining: 33-24
specifying parameters: 31-12 formatting stream: 12-7
Regression cases heat and work streams: 12-8
defining: 23-30 linking: 37-13
Regression cases: 23-30 Pressure Relief: 33-24
Regression: 16-10, 31-10, 31-12, 31-15 regression: 16-10
Reinitializing steady state: 33-25
about: 11-4 stream: 12-6
Reinitializing: 11-4 Summary sheet: 11-7
relaxed bound updating plots: 13-13
tolerance paramter: 18-33 viewing steady state: 33-25
relaxed bound: 18-33

Aspen Plus 11.1 User Guide Index • 19

 viewing: 12-2, 17-23, 33-26 specifying a run description: 5-6
Results View tab: 16-11 types: 2-4, 11-1
Results: 5-17, 5-21, 11-7, 12-2, 12-4, 12-6, Runs: 2-2, 2-3, 2-4, 2-6, 5-3, 5-6, 11-1, 11-2,
12-7, 12-8, 13-13, 13-14, 16-10, 17-23, 11-9, 12-4, 12-8, 15-11
23-36, 30-20, 31-15, 32-17, 33-24, 33- run-time intervention (DMO solver): 17-52
25, 33-26, 37-13
Revealing S
objects: 34-6
salt precipitation reactions
Revealing: 34-6
for RadFrac: 27-22
RGibbs
salt precipitation reactions: 27-4, 27-22
about: 10-24
Saving
RGibbs: 10-24
files with embedded objects: 37-23
Root finder: 5-12
files: 15-11
Routes
links: 37-18
sheet: 7-18
runs: 15-11
Routes: 7-18
Saving: 15-11, 37-18, 37-23
RPlug
Scenarios
about: 10-24
dynamic: 33-8, 33-11, 33-22
RPlug: 10-24
pressure relief: 33-3
RStoic
steady state: 33-6
about: 10-23
Scenarios: 33-3, 33-6, 33-8, 33-11, 33-22
RStoic: 10-23
SCFrac
Rules
about: 10-13
Pressure Relief: 33-10
SCFrac: 10-13
Rules: 33-10
Scrolling
Run accounting information: 5-6
paired: 38-22
Run descriptions
Scrolling: 38-22
specifying: 5-6
Secant method: 17-11
Run descriptions: 5-6
Sensitivity
Run Settings dialog box: 11-12
blocks: 20-3
Run Type
Sensitivity (EO): 20-11
changing: 5-3
Sensitivity: 20-3
choosing: 2-4
Sep2
Run Type: 2-4, 5-3
about: 10-5
Runs
Sep2: 10-5
accounting information: 5-6
Separators
batch: 11-9
about: 10-4
changing type: 5-3
Separators: 10-4
completeness: 12-4
Sequence
completing input specifications: 2-6
calculation: 17-16
creating new: 2-2, 2-3
Sequence: 17-16
descriptions: 5-6
Sequencing
flowsheet: 2-6
problems: 17-30
interactive: 11-2, 12-8
specifying parameters: 17-5
naming: 5-3
Sequencing: 17-5, 17-30
saving: 15-11
Setup forms

20 • Index Aspen Plus 11.1 User Guide

 accessing: 5-1 SM variables: 18-1
Setup forms: 5-1 Snap to Grid option: 14-10, 14-11
Setup ReportOptions form: 5-17 soft bound
Setup Simulation Options form status parameter: 18-34
about: 5-7 soft bound: 18-34
Setup Simulation Options form: 5-7 Solids 6-12
Setup Specifications form conventional: 6-20
entering global information: 5-2 defining 6-12
Setup Specifications form: 5-2 identifying: 6-20
Setup Units Set sheets: 5-14 nonconventional: 6-20
Shadow price: 17-60 Solids templates: 2-20
Sheets Solids: 6-20
displaying: 1-7, 1-8 sorting
Sheets: 1-7, 1-8 EO Variables form: 18-36
Simuations sorting: 18-36
controlling from automation client: 38-29 Special data packages: 34-1
Simuations: 38-29 Special systems property methods: 7-5
Simulation engine Specialty Chemicals template: 2-17
running separately: 11-10 Specifications
Simulation engine connection creating: 21-3
automation: 38-28 design: 17-2
Simulation engine connection: 38-28 flash: 24-5
Simulation engine: 11-10, 15-14 thermodynamic condition: 9-3
Simulation Run toolbar: 11-3 Specifications: 9-3, 17-2, 21-3, 24-5
Simulation status SQP convergence method: 17-14
displaying: 1-9 SQP method: 23-9
Simulation status: 1-9 Standalone
Simulations runs: 11-10
commands: 11-3 Standalone: 11-10
completeness: 12-4 Standard deviation
deleting objects: 1-13 definition: 23-27, 23-29
overriding history messages: 5-6 Standard deviation: 23-27, 23-29
reinitializing: 11-4 Starting
running interactively: 11-2 new run: 2-3
running on host: 11-8 Starting: 2-3
selecting flow basis: 5-4 Startup tab: 16-16
types of run: 11-1 State variables
viewing current: 12-2 specifying: 9-2
viewing history: 12-4 State variables: 9-2
viewing progress: 11-2 Status
viewing status: 11-6, 11-7 indicators: 1-9
Simulations: 1-13, 5-4, 5-6, 11-1, 11-2, 11- messages: 11-6, 11-7
3, 11-4, 11-6, 11-7, 11-8, 12-2, 12-4 Status: 1-9, 11-6, 11-7
SM model SteadyStateResults form: 33-25
synchronizing: 18-35 step bound
SM model: 18-35 status parameter: 18-33

Aspen Plus 11.1 User Guide Index • 21

step bound: 18-33 about: 35-2
Step by step instructions: 3-3 commands: 35-4
Stoichiometry running in batch mode: 35-2
mass balance checking: 5-11 running interactively: 35-2
Stoichiometry: 5-11 STRLIB: 35-2, 35-4
Stream libraries Styles
about: 35-1 Line 16-16, 16-17
creating: 35-2 Substreams 18-11
modifying: 35-2 accessing 18-11
Stream libraries: 35-1, 35-2 copying: 24-3
StreamClass form: 9-18 creating: 9-16, 9-17, 9-19
Streams 18-11 defining: 9-19
accessing 18-11 modifying: 9-17
analysis types: 9-8 Substreams: 9-16, 9-17, 9-19, 24-3
analyzing properties: 9-9 Substrm-Vec 18-11
changing ports: 4-12 Summary files: 15-8
classes: 4-21, 5-4, 9-15, 9-16, 9-17, 9-18 Supercritical components
composition: 9-4 Henry’s law: 7-13, 8-3
copying: 24-3 parameter requirements: 8-3
displaying properties interactively: 9-9 Supercritical components: 7-13, 8-3
heat and work: 4-7 SWash
IDs: 4-18 about: 10-29
including in report: 5-20 SWash: 10-29
moving corners: 4-18 Symbols
moving segments: 4-18 definition: 1-9
moving: 4-16 explaning status: 1-9
placing on flowsheet: 4-4 Symbols: 1-9
property analysis: 9-8 System options
pseudoproduct: 4-7, 9-24 overriding defaults: 5-13
reinitializing: 20-6, 26-3 System options: 5-13
renaming: 4-11 Systems sheet: 5-13
reports: 5-20, 5-22
rerouting: 4-18 T
results: 12-6, 12-7, 12-8
Table Format Files
specifying: 9-2, 9-3, 9-18, 33-6
about: 36-1
tables: 14-2
location: 36-2
thermodynamic conditions: 9-3
selecting: 12-7
types: 1-6
Table Format Files: 12-7, 36-1, 36-2
work: 9-22
Tabular data
Streams: 1-6, 4-4, 4-7, 4-11, 4-12, 4-16, 4-
adjusting for pressure: 8-26
18, 4-21, 5-4, 5-20, 5-22, 9-2, 9-3, 9-4,
adjusting reference states: 8-24
9-8, 9-9, 9-15, 9-16, 9-17, 9-18, 9-22, 9-
entering: 8-22
24, 12-6, 12-7, 12-8, 14-2, 20-6, 24-3,
Tabular data: 8-22, 8-24, 8-26
26-3, 33-6
Tabulate sheet 20-5
Stream-Vec 18-11
using 20-5
STRLIB
Task help: 3-3

22 • Index Aspen Plus 11.1 User Guide

Tear convergence modifying: 13-7
parameters: 17-3 Text editor
specifying parameters: 17-3 specifying: 15-14
Tear Convergence sheet: 17-4 Text editor: 15-14
Tear convergence: 17-3 Text: 13-7
Tear Specifications sheet TFF
about: 17-7 about: 36-1
Tear Specifications sheet: 17-7 choosing: 12-7
Tear streams location: 36-2
convergence: 17-7 TFF: 12-7, 36-1, 36-2
initial estimates: 17-8 Thermodynamic condition specifications: 9-
Tear streams: 17-7, 17-8 3
Tearing Toolbars
specifying parameters: 17-5 available: 16-4
Tearing: 17-5 customizing: 16-4
Temperature default: 1-4
specifying limits for flash: 5-12 description: 1-4
temperature qualifiers moving: 16-5
specifying: 28-4 Process Flowsheet: 4-9
temperature qualifiers: 28-4 Simulation Run: 11-3
Temperature: 5-12 Toolbars: 1-4, 4-9, 11-3, 16-4, 16-5
Templates Tools Options Startup tab: 16-16
about: 2-3, 15-6 Transfer blocks
Air Separation: 2-14 creating: 24-2
Chemicals: 2-15 defining: 24-2
choosing: 2-3 specifying execution: 24-4
creating your own: 16-18 Transfer blocks: 24-2, 24-4
Electrolytes: 2-16 Tree structure
Gas Processing: 2-13 about: 38-5
General: 2-9 automation interface: 38-7
Hydrometallurgy: 2-19 dot notation: 38-9
importing: 15-7 Variable Explorer: 38-5
Petroleum: 2-10 Tree structure: 38-5, 38-7, 38-9
Pharmaceutical: 2-18 Troubleshooting
Pyrometallurgy: 2-20 convergence problems: 17-30
saving: 15-7 Data Fit: 23-37
Solids: 2-20 ID conflicts: 34-3
Specialty Chemicals: 2-17 optimization: 23-10
Templates: 2-3, 2-9, 2-10, 2-13, 2-14, 2-15, sequence problems: 17-30
2-16, 2-17, 2-18, 2-19, 2-20, 15-6, 15-7, Troubleshooting: 17-30, 23-10, 23-37, 34-3
16-18 Trust region (DMO)
Ternary parameters: 8-17 applying: 17-43
Text Trust region (DMO): 17-43
adding to plots: 13-7 Types
adding: 13-7 of run: 11-1
changing: 13-7 of stream analysis: 9-8

Aspen Plus 11.1 User Guide Index • 23

Types: 9-8, 11-1 User models
types: 19-16
U User Models
about: 10-29
UNIFAC groups
User models: 19-16
specifying: 6-24
User Models: 10-29
UNIFAC groups: 6-24
User-Defined Component Wizard 6-8, 6-9,
Unit operation blocks
6-12, 6-15
specifying: 10-34
defining conventional components 6-9
Unit operation blocks: 10-34
defining non-conventional components 6-
Unit operation models
15
in mass balance only runs: 5-9
defining solid components 6-12
placing in flowsheet: 4-2
opening 6-8
selecting: 1-5
using 6-8
Unit operation models: 1-5, 4-2, 5-9
user-defined kinetics subroutines: 27-24
Unit Sets form: 5-13
user-defined properties 28-5
Unit Table
about: 38-15
V
Unit Table: 38-15
units of measure Valid phases
changing: 38-17 changing: 5-5
Units of measure Valid phases: 5-5
about: 5-14 Value related attributes: 38-11
user-defined: 5-13 ValueForUnit property: 38-16
viewing: 5-14 ValueType property: 38-9
units of measure: 38-17 Variable Definition dialog box 18-4, 19-4,
Units of measure: 5-13, 5-14 19-6, 20-3, 20-4, 21-3, 21-4, 23-3, 23-4,
Units sets 23-6, 23-7, 23-25, 23-26
defining your own: 5-14, 5-15 Variable Explorer
example of defining: 5-16 about: 38-5
viewing: 5-14 example of using: 38-6
Units sets: 5-14, 5-15, 5-16 using: 38-5, 38-6
UnitString property Variable Explorer: 38-5, 38-6
using: 38-15 Variable nodes attributes: 38-12
UnitString property: 38-15 variable specifications
Unplace forcing for EO sensitivity: 20-13
using: 4-18 variable specifications: 20-13
Unplace: 4-18 variables 18-2, 18-3, 18-4, 18-6, 18-7, 18-
Upward Compatibility 11, 18-15, 18-16, 18-17, 18-24, 18-28,
options 16-17 19-4, 19-5, 19-6, 20-3, 20-4, 20-5, 21-3,
User interface 21-4, 21-5, 23-3, 23-4, 23-6, 23-7, 23-
automation: 38-26, 38-28 25, 23-26, 23-28, 23-29
User interface: 38-26, 38-28 accessing 18-2
user model libraries block 18-16, 18-24
adding choosing 18-7
deleting icons 16-25 defining 18-4, 19-4, 20-3, 21-3, 23-3, 23-
changing icons 16-25 6, 23-25

24 • Index Aspen Plus 11.1 User Guide

 determining between 18-6 generating: 31-8
equation-oriented (EO) 18-28 VLE data: 31-8
identifying 19-4, 20-3, 23-25, 23-26 Vscrub
identifying manipulated 21-5 about: 10-28
manipulated 20-4 Vscrub: 10-28
parameter 18-7
profile 23-28, 23-29 W
PSD-Vec 18-15
Warnings
sequential-modular(SM): 18-1
requesting: 5-11
specifying 18-4, 19-4, 20-3, 21-3, 23-3,
Warnings: 5-11
23-6, 23-25
Website
tabulated 20-5
AspenTech: 3-4
types 18-2
Website: 3-4
vector 18-11, 18-17
Wegstein convergence method
Variables
acceleration parameter: 17-10
selecting for plots: 13-6
Wegstein convergence method: 17-9, 17-10
variables: 18-1
What’s This button: 3-2
Variables: 13-6
Work streams
Vary sheet 20-4, 21-5
defining: 4-7
using 20-4
results: 12-8
Vectors 18-11, 18-16
specifying: 9-22
block 18-16
Work streams: 4-7, 9-22, 12-8
variable types 18-11
Workbook mode: 16-17
Venting systems
Working directory
specifying: 33-12
specifying: 15-14
Venting systems: 33-12
Working directory: 15-14
Venturi scrubbers
Workspace: 1-3
about: 10-28
World Wide Web site: 3-4
Venturi scrubbers: 10-28
Write Variables
Vessel Neck
about: 19-8
specifying: 33-15
Write Variables: 19-8
Vessel Neck: 33-15
Viewing
flowsheets: 4-7, 4-10
forms and sheets: 1-7
Viewing: 1-7, 4-7, 4-10
Views
bookmarks: 4-10
Views: 4-10
Viscosity curves
entering: 32-6
Viscosity curves: 32-6
Visual Basic
about: 37-1
Visual Basic: 37-1
VLE data

Aspen Plus 11.1 User Guide Index • 25

26 • Index Aspen Plus 11.1 User Guide