Introduction to ASPEN simulation software

The main features of ASPEN (for Advanced System for Process Engineering) are:
Large set of unit operations
Numerous models for calculating physical properties
Data regression systems and generation of physical property tables
Group contribution methods to compensate for the lack of experimental data
for estimating physical properties
Characterization of petroleum fractions
Integrated system for electrolyte processing
Ability to handle solids
Possibility to include user models (of physical properties and unit operations)
Sequencing and automatic convergence of process schemes (ASPEN is built on the architecture
sequential-modular
Possibility to define design specifications
Possibility of parametric optimization
Choice between several convergence algorithms for recycling, design specifications and
optimization
Cost and profitability assessment (which includes sizing calculations for the devices)
Quite simple to use graphical interface
ASPEN-Plus can be used to model processes of:
Organic and inorganic chemistry, from large-scale synthesis to fine chemistry
Petrochemistry
Coal liquefaction
Coal gasification
Processing of bituminous rocks
Pulp and papers
Agri-food
Mineral processing
Biotechnology

1. Examples of software usage

1.1 Properties of a pure substance

Aspen allows for the determination of the properties of a pure substance. For example, one can find the volume.
specific of n-butane at a temperature of 500 K and at a pressure of 18 atm.
Step 1:
Start the software through Aspen Plus
User Interface.
Choose General With Metric Units.
-In Run Type, choose Property Analysis.

1
Step 2:
In the left list, choose
Component/Specification set
enter the name or formula of
chemical product. It is
important to verify that the
champComponent Name (third column) is automatically filled, which means that the substance has
has been recognized. If the left list does not appear, go to Data/Components.

Step 3:
In the left list, choose
Property/Specifications and
fill in the fields like
indicated in the figure.

Step 4:
In the top menu, choose
Tools/Analysis/Property/Pureet fill the
fields as indicated in the figure then
press Go.

We then see a graph and a table representing the results of the calculation.

2
1.2 Properties of a mixture
For example, one can determine the specific volume of a mixture composed of 630 kmol/h of monoxide
of carbon, of 189 kmol/h of carbon dioxide, of 63 kmol/h of hydrogen and of 1130 kmol/h of water at a
temperature of 500 K and a pressure of 1 atm. The approach is in this case different from that developed
previously.
Step 1 :
For the new project chooseGeneral With Metric Units then Flowsheet.
Step 2:
If the models do not appear at the bottom of the window, select View/Model Library.
-Choose Mixer and click on the workspace. The mixer appears.
Step 3:
To introduce the input and output flows of the mixer.
click on Material Streams. Bringing the cursor closer to the
mixer, we see red arrows appearing and others blue. The red ones must necessarily be
The connected ones and the blues make up optional connections. Then build a power supply towards
each port of the mixer.
Step 4:
By clicking on the mount, a menu appears on the left. The red signs indicate that we must
introduce parameters.
-In Component/Specifications
give the name or the formula of
each component.
-In Property/Specifications
chooseRK-SoaveforProperty
method.
To eliminate the rest of the options
still in red, just need to
open and then close them.
Step 5:
Go to Streamset and provide information for each flow.
specifying the temperature, the pressure and the
flow.

Step 6:
Press the button On see
then a window appears specifying
that all the information is
recorded and that the simulation will
start.
The results are then available in
Results Summary/Streams
We can calculate the specific volume in
dividing the volumetric flow rate by the flow rate
molar 82444/2012=41m3/kmol.

3
-Note that these results can be copied by clicking on the first cell (top left) and
pasted into an Excel spreadsheet.

2. Software Properties
a) Unit and common operations
Aspen is built around a sequential-modular architecture. A unit operation is represented
by a subprogram to which we provide the input flow variables and the parameters of
operation, and which returns the output flow variables.
A flow is represented by a vector containing:
The partial flows of each component
The pressure, the temperature
The mass enthalpy, the vapor fraction, the liquid fraction, the mass entropy, and the density.
It is possible to break down a flow into sub-flows, each having this general structure. The sub-flows
can be of the type MIXED (a mixture of liquid, vapor, and solid), CISOLID (conventional inert solid at)
living balances between phases) or NC (non-conventional solid, meaning one cannot attribute
the precise chemical formula.

b) Calculation of recycling
In a sequential-modular approach, recycling is iteratively converged: one defines a
current 'cut off', and we establish a convergence process on the variables of this cut-off current, in
calculating iteratively the operations of the recycling loop.
Based on a description of the process structure (connection diagram of the unit operations) the
The software automatically determines the recycling loops, selects the currents to cut to allow
convergence, and determines the computational sequence of unit operations. It is still possible for
the user can choose other cut currents than those proposed by the software, which is very useful when
We know how to initialize the values.

c) System of physical properties

The physical properties (thermodynamic and transport properties) are necessary during a
simulation for the calculation of unit operations (liquid-vapor equilibria and enthalpies), and for the
dimensioning (viscosity, thermal conductivity, ...)
A calculation system for these physical properties gives these properties as functions of the state variables.
(temperature, pressure, composition), based on models of empirical or molecular origin, using
parameters stored in databases (critical coordinates, correlation parameters
ASPEN provides a large number of 'methods' for calculating these physical properties,
collections of calculation routines for physical properties that are directly used by the models
unit operations.
The reasoned choice of models and correlations suitable for calculating thermodynamic properties and
Transport for a given type of mixture is often a specialist area.

3. The main unit operations

3.1 Food, products
These are not strictly speaking unit operations, but the connections with the outside of the process.
are classified under the 'Feed-Prod' section of operational models. One just needs to be careful about the

4
choice of the icon, which allows distinguishing between hardware rates (the most common case) and rates of
heat or work.

3.2 Mixers, flow dividers

a) Mixers
A mixer accepts an unlimited number of input flows and combines them into a single output flow.
unique. The state of the mixture is obtained from an isenthalpic equilibrium calculation (the mixer is assumed
Adiabatic). The output pressure of the mixture is, by default, the lowest of the inlet flow pressures.
One can indicate a pressure drop relative to this pressure in the form of a negative pressure or
null.

b) Flow dividers (FSPLIT)

A flow divider has an inlet flow rate and an unlimited number of outlet flow rates, all at the same temperature.
pressure and composition. It should be specified, for each output flow except one, either its total flow rate (molar or
massive), or, which is often more practical, its fraction in relation to the inlet flow.

c) The formal separators

The SEP and SEP2 models are not associated with actual unit operations, but they allow for
separate an input flow into several flows of different composition. We specify for each flow the
temperature and pressure, and, for each component, the recovery rate in the output flows (except
These models can be used during development to temporarily replace
real separation operations that we do not wish to fully model.

3.3 Flashes and exchangers

a) The flashes
A flash is a balance between fluid phases. There are two models: FLASH2 for the equilibria.
liquid-vapor, and FLASH3 for liquid-liquid-vapor equilibria. In accordance with the variance rule
for a mixture of determined global composition, it is sufficient to specify two quantities, among pressure,
temperature, vaporization fraction or received energy (DUTY). For FLASH3, it is also possible to indicate how
distinguish the two liquid phases by specifying a key component for the second one: the phase richest in
the liquid 2 will be the constituent.

b) The HEATER
A HEATER can represent any operation that exchanges heat with the outside.
have any number of power inputs, but a single output (unlike flashes). The
Specifications are the same as for a flash. The HEATER model only calculates the material balances.
and energy, regardless of how energy is exchanged with the outside. In the scheme of
Production of cyclohexane, for example, the MEL-IN block is a HEATER, specified by a temperature and a
output pressure, which simply calculates the energy to be provided. Physically, this can be a boiler or
a heat exchanger.

c) Heat exchangers
HEATX and MHEATX are models for calculating exchangers or heat exchanger networks. By
Regarding the HEATER, they take into account the surfaces and thermal exchange coefficients. It is

5
it is often advantageous to model a heat exchanger between two product flows using two HEATERs
coupled by a heat flow (cf 8.1). The sizing can then be done by the program
cost estimation.

3.4 Distillation columns

There are a large number of distillation calculation models. We will primarily use two of them:
DSTWU for the design of simple columns, RAD-FRAC for the rigorous calculation of columns.

DSTWU
This is a simplified column calculation model (a single load, no lateral withdrawal), based on
particularly on the equations of Gilliland and Underwood. The model is able to calculate the reflux rate
minimal, and to find, for imposed separation performances between two key constituents, the
number of stages corresponding to a given reflux ratio, or the reflux ratio corresponding to a number
of floors. So we specify:
Separation performances: we define a heavy key and a light key among the components (these are
the components between which the column must 'cut') and for each of the key constituents, their rate of
recovery in the distillate (generally close to 1 for the light key and 0 for the heavy key)
Either the number of floors or the reflux rate. It is possible to specify the reflux rate in the form of
a multiple of the minimum reflux rate, indicating a negative value: a reflux rate of -1.3 will be
interpreted as 1.3 • rfm,in .
The pressure at the top and bottom of the column
- By default, the condenser is assumed to be total. A partial condenser can be modeled by indicating a
non-zero value for appointment (vapor rate in the distillate).

b) RADFRAC
It is probably the most feature-rich model of the software. RADFRAC allows for modeling in a way that
rigorous distillation columns, absorption, steam stripping, taking into account
liquid demixions or chemical reactions on the plates, to perform dimensioning calculations, etc...
What must always be specified:
In the 'Radfrac/Configuration' tab, the number of stages and two additional specifications between
reflux rate, distillate or residue flow rate, thermal power at the boiler or condenser. This
corresponds to the 3 degrees of freedom of distillation.
In the 'Radfrac/Streams' tab, the position of the feeds and draws (the stages are counted
from the condenser)
In the Pressure tab, the pressure profile in the column. We can only indicate the pressure at
condenser if the column is assumed to be isobaric or indicate the pressure at some stages (with
linear interpolation and extrapolation.

3.5 The reactors

The most important reactor models are:
The stoichiometric reactor (RSTOIC): it is a very basic model, to which the reactions are specified.
which take place (it is up to the user to balance them!) and a conversion rate for each of these reactions
The reactor at equilibrium. The most elaborate model is RGIBBS, which minimizes the free enthalpy of the mixture.
in relation to the composition of the mixture (under the constraint of respecting the atomic balances) to the number
of phases and their composition. The standard state properties of each molecule that can come out of
6
 reactor (by default, all the molecules defined in the simulation) are used, which avoids having to
introduce the reactions and their equilibrium constant
Kinetic-based reactor models: CSTR (continuously stirred tank reactor), PFR (plug flow reactor)
piston) and RBATCH (closed or semi-closed reactor).

3.6 Pumps and compressors

For a pump, either the output pressure or the power is specified. For a compressor, it is indicated in
plus the calculation method (isentropic, polytropic). We can also provide the efficiency (isentropic or
polytropic).