Process Simulation
Dear Students,
My name is Engr. Onoh Ikechukwu Maxwell, Ph.D
I am a Senior Process Engineer and Project Management
Consultant at Goshen II Technique with over a decade of
experience
This material will give you an overview of the work and
deliverables of the different engineering disciplines.
I wish you an enjoyable journey within Engineering…
Learning Objectives
Purpose is to learn by doing
1. Brief introduction to simulation basis, Data Library,
Modules, with Demonstration as required
2. Learning by doing workshops and asking questions
3. Discussion and requests for demonstration
welcome at anytime
Simulation Packages
Steady State Modelling
1. H&MB generated on Steady State Basis
2. Essential for development of key design deliverables (equipment
datasheets, line hydraulics etc,)
3. Very useful doing conceptual studies to evaluate different options
4. Not much details required to model the processes
Dynamic Simulation
1. To verify the overall operability & controllability of the plant
2. P&ID is replicated in the model: several information required like
piping isometrics, valve curves, compressor curves, equipment
volumes
Simulation Environments
Learning Methods
Enter components, Define a Fluid package and add
streams
Execute flash calculation in Aspen HYSYS
Attach stream utilities
Customize the Workbook
Specifying Components
Library Components
Over 1800 component in main databank
Search by Simulation name, Full name, Synonyms, or
Formula
Hypothetical Components
Rule of thumb, provide NBP, MW, Density, if possible,
although two properties will approximate fairly well, of
course, the more properties you enter, the better the
representation
Assay Analysis
Generation of Pseudo Components Based on Assay Data
(TBP, ASTM D86 etc,)
Fluid Packages
A fluid package is a collection of mathematical model and methods used
to calculate physical properties of the selected component system
Methods containing commonly used thermodynamic models are
provided in Aspen Hysys in the form of fluid package
Approaches to representing physical properties of components
Fluid Packages
Ideal EOS Models Activity Coeff Special Models
Models
Choice of model types depends on the degree of non-ideal behavior and
operating conditions
Fluid Packages
What do we mean by ideal behavior? System following Ideal Gas
law and Raoult’s law
Which system behave as ideal? Non-polar components of similar size
and shape
Which controls degree of non-ideality? Molecular interactions eg,
polarity, size and shape of the molecules
How can we study the degree of non-ideality of a system? By
property plots (eg., TXY & XY).
Fluid Packages
Equation of State models Activity Coefficient Models
Good for Vapor phase modelling and liquid of Good for liquid phase only
low polarity
Limited in ability to represent no-ideal liquids Can represent highly non-ideal liquids
Fewer binary parameters required Many binary parameter required
Parameters extrapolated reasonably with Binary parameters are highly temperature
temperature dependent
Consistent in critical region Inconsistent in critical region
Examples are PENG ROBINSON, SRK, LEE Examples are NRTL, UNIQUAC, WILSON
KESLER PLOCKER
Fluid Packages
Importance of Correct Fluid Package
Correct choice of physical property model and accurate physical
property parameter are essential for obtaining accurate simulation
results
Specification: 99.5 mole % acetone recovery
Ideal Approach Equation of state Activity coefficient
approach model
Predicted number 11 7 42
of stages required
Approximate cost 650,000 490,000 1,110,000
Fluid Packages
Establish Fluid Package
Fluid Packages
Select Property Method Selection Assistant (Properly Wizard)
The assistant will help you select the most appropriate property
method by guiding you through a number of question
You can select either component type or process types
At the end, the help topics for the recommended property methods
are limited
A report is also available that can be saved or printed
Fluid Packages
Fluid Package -Example
System Model type Property Method
Propane, Ethane, Equation of State SRK OR PENG-ROB
Butane
Benzene, Wate Activity Coefficient NRTL OR WILSON
Acetone, Water Activity Coefficient NRTL OR WILSON
Aspen HYSYS Graphical User Interface
Color Scheme in Hysys
Values (Variable)
• Blue: User-specified
• Red: Default value
• Black: Calculated (or fixed) value
Streams
• Light Blue: Not Solved
• Dark Blue: Solved
Unit Operations
• Red: Connection is missing –unable to begin solving
• Yellow: Unable to solve or solved with warning
• Black: Solved
Adding Streams
Menu Bar
• Choose Flow sheet / Add steam
Function Key
• Press F11
Object Palette
• From object palette, double –click the stream icon, Or, click
and drop stream on top the PFD
Workbook
• Overwrite “new’ with stream name on the material stream
lab
Flash Calculations
Following is required to Solved a Material Stream
1. Vapor Fraction
2. Temperature
3. Pressure
4. Composition
5. Flow
• Any 2 out of 3 phase properties required (T, P, and VF)
• Any 1 flow is required (Mass or Molar or Volume)
• Composition is required (Mass or mole or volume basis)
Flash Calculations
Dew Point & Bubble Point Calculation
A. Dew point is where the first drop of liquid forms from the vapor
phase
• Specify vapor Fraction = 1
• Specify Temperature or pressure to calculate dew point pressure and
temperature respectively
A. Bubble point is where the bubble forms from the liquid phase
• Specify vapor Fraction = 0
• Specify temperature or pressure to calculate bubble point pressure
and temperature respectively
Utilities in HYSYS
Tools for getting some key streams
properties /Information
Add utilities via Tools menu or form within the
stream property view (Attachments /Utilities)
Continuous link
Key Utilities in HYSYS
Envelope utility: Vapor – Liquid Envelopes
a) Provides important information in the gas processing
b) Examine relationship between selected parameters for any
stream of known composition (I.e relation between
Temperature, pressure, enthalpy etc.
Property Tale utility: property Trends over a range
a) Examine property trends over a range of condition in both
tabular and graphical formats: You select independent variables
and dependent variables, which are calculated
Hydrate formation utility: Predict Hydrate formation
a) Based on stream condition, hydrate formation temperature and
pressure are calculated
Key Utilities in HYSYS
Dynamic De-pressurization Utility
Only utility in Hysys which gives dynamic results
Very useful in calculating the relief rates, final temperature
during system blowdown or depressurization
Boiling point curve
Cold properties
Critical properties
Key Utilities in HYSYS
Connecting unit operation to a stream
1. From property view of unit operation
2. Using Attach Mode button in PFD
3. Using Ctrl key in PFD
Workshop - Example
Templates
Complete flowsheets used as sub-flowsheets while
connected to a main simulation case
Advantages
1. Provides a way of linking two or more simulation cased
2. A different property package can be used for sub-flow
sheet
3. Allows you to break a large simulation into smaller
section
4. Just need to create it once and it can be used
repeatedly
Learning Objectives
Use the Recycle operation in ASPEN HYSYS
Recognize suitable locations for Recycle operations
Use of Adjust unit operation
Learning Objectives
What is a Recycle operation?
Recycle operation: a mathematical unit operation
When to use Recycle?
Required when downstream material stream mix with
upstream material stream, and when there is mass I/O
across the flowsheet
Adding Recycles to the flowsheets
Procedure 1
• Solve flowsheet without recycled stream
• Add Recycle, and only attach the calculated stream
(calculated =estimated)
• Connect assumed stream to flowsheet
SENSITIVITIES
Tolerance Sensitives used in Recycle operation
They are not true tolerance, but the multiples to Aspen
HYSYS’ internal convergence tolerance
Aspen Hysys internal tolerance
1. Vapor fraction 0.01
2. Temperature 0.01
3. Pressure 0.01
4. Flow 0.001
5. Enthalpy 1.00
6. Composition 0.0001
TEAR LOCATIONS
Minimize the number of recycles
• Downstream of gathering points (mixer)
• Upstream of distribution points (column, tee, separator)
Minimize the number of recycle variables (T, P, etc)
• Maximize number of fixed variable
• Separator inlet
• Compressor after cooler outlets
Choose a stable tear location
• Minimize effect of fluctuations
ADVANCED MOELING -EXAMPLE
Recycle required? If so, how many? Possible location (s)
ADJUST LOGICAL OPERATION
Works as a general feedback Controller
Varies the value of one variable to meet a required value or
specification (dependent variable or target variable) in another
stream or operations
Conducts “trial and error “ automatically
Adjust the independent variable until the dependent variable
meets a user specified target value or the value of the same
variable in another object (optional offset)
ADJUST – SOLVING PARAMETERS
Tolerance:
Error = |dependent variable – target variable| x Tolerance
Step Size:
Maximum steps size adjustment applied to the independent
variable in searching algorithm
ADJUST – IMPORTANT NOTES
Simulation has to be solved running Adjust
The adjusted variable has to be a specified value (blue)
Good idea to try it manually first
• One way to go about this is try running a case study
Convergence tips:
1. A good first guess is key as convergence
2. Step Size should be appropriate
3. Tolerance should be appropriate
BALANCE
Provides a general-purpose Heat and Material Balance facility
Passes information from inlet stream on to outlet stream
1. Mole Molar flow and computation are conserved
2. Mass Only mass flow is conserved
3. Heat Only heat flow is conserved
4. Mole and Heat Both heat and molar flow are conserved
REFRIGERATED GAS PLANT
HEAT AND MASS BALANCE
HEAT & MATERIAL BALANCE
Heat and Material Balances is the Basis for Detail Process System
Design
1. Balance over complete process provides the quality of material
required and products produced
2. Balance over individual units provides stream flows and compression
Equation
3. Conservation Equation
Material Out = Material In + Generation - Consumption –Accumulation
At Steady state: Accumulation terms =zero
For the chemical reaction: Material Out +Material in
Usually, an overall balance and component balances are defined
H & MB GENERATED FROM COMPUTER SIMULATORS
There is a need for generating balanced for large number of Unit
process
Fluid compositions involves large number of Components which
require simultaneous solving of more complicated equation
Need to carryout simultaneous material and energy balances across
various units
There are completed Units operations like reactors, Distillation columns
etc., which will require solving more complicated non-linear equations
Need to optimize by changing operating conditions
Model become more complicated with recycle streams
PROCESS CALCULATIONS BASED ON H & MB
Pump Hydraulics
Flow Hydraulics (both in-plant piping & Pipelines)
Equipment sizing (Heater, Column, Separator etc.)
Heat Curve Generation for Exchanger Sizing
Flare Net Work, PSV, Control Valve Calculations
Blow-Down Calculation
Reporting of Hydrate formation
When the simulation has converged then the stream data can be linked to Excel to
generate the Heat & Mass Balance for each of the cases
Base case and alternative case
Evaluation / Verification of results
Selection of design cases
GENERAL PROPERTIES REPORTED IN H& MB
1. Molecular weight
2. Density
3. Viscosity
4. Compressibility factor, z
5. Vaporr pressure
6. Specific Heat
7. Thermal Conductivity
8. Bubble & Dew point
9. Critical properties (Pressure, Volume & Temperature)
GENERAL PROPERTIES REPORTED IN H& MB
HYSYS Stream Reporter Utility (Excel Macro)
It can be downloaded from Aspen Tech Support Website
The Utility can be customized based on Project requirement or Project
templates
H&MB for all the design cases can be created and then a “Stream Getter@ is
generated in-house for composition of design cases
This helps in identifying the design or generating case quickly
HEAT & MATERIAL BALANCE - EXAMPLE