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1. Aspen Introduction
ASPEN is a process simulation software package widely used in industry today. Given a process design
and an appropriate selection of thermodynamic models, ASPEN uses mathematical models to predict
the performance of the process. This information can then be used in an iterative fashion to optimize
the design. This accurate modeling of thermodynamic properties is particularly important in the
separation of non-ideal mixtures, and ASPEN has a large data bases of regressed parameters. ASPEN
can handle very complex processes, including multiple-column separation systems, chemical reactors,
distillation of chemically reactive compounds, and even electrolyte solutions like mineral acids and
sodium hydroxide solutions.
ASPEN does not design the process. It takes a design that the user supplies and simulates the
performance of the process specified in that design. Therefore, a solid understanding of the underlying
chemical engineering principles is required to supply reasonable values of input parameters and to
evaluate the suitability of the results obtained. For instance, a user should have some idea of the
column behavior before attempting to use ASPEN. This information could come from an approximate
method, such as the McCabe-Thiele approach, general modeling of the T-x-y behavior, or residue curve
maps.
ASPEN cannot tell you how many stages to use for a given separation. You must set the number of
stages and see what type of separation results. Some preliminary or 'back of the envelope' calculations
are generally recommended.
MSU has a variety of Aspen packages for different simulations. Briefly, here are the programs and
capabilities:
Aspen Adsim - Fixed bed adsorption for pressure swing adsorption, etc.
Aspen Chromatography - Fixed bed adsorption, simulated moving bed chromatography. Runs
independent of Aspen Plus.
Aspen Custom Modeler - A utility to permit the creation of user unit operations.
Aspen Distil - Aspen's 'Conceptual Engineering Product' for planning for processing schemes. Runs
independent of Aspen Plus.
Aspen Dynamics - Unsteady-state simulator.
Aspen Plus - Steady-state process simulator.
Aspen Properties - Modeling of properties and phase equilibria. Incorporated into most other
components, though it can be run as a stand-alone subset. All of the phase equilibria and mixture
property methods discussed on this site are accessible in either Aspen Plus or Aspen Properties.
Aspen Polymers - Modeling of polymerization reactors and polymer thermodynamics. This package is
available within Aspen Plus or Aspen Properties rather than via an external menu.
BatchSep - Batch distillations. Runs independently of Aspen Plus.
Normally undergraduate student projects will involve Aspen Plus or Aspen Properties . To start either of
these packages, be sure to look for the corresponding User Interface on the start menu.
To find descriptions/equations for the thermodynamic models and parameter variables, are in online
Properties Help, Chapter 3.
Figure 2.1 -
Connection
dialog
To demonstrate how to build a process simulation using ASPEN, we will develop a distillation column
for separation of ethanol and water.
The first step in developing a simulation is to develop the process flow diagram (PFD), which consists of
the unit operations (blocks) and streams that feed and connect the blocks. The blocks are listed by
category at the bottom of the main window (columns, reactors, etc.) in a toolbar known as the 'Model
Library', a portion is shown in Figure 3.1. There are a wide variety of block available. Documentation for
the algorithm for each block is provided in the ASPEN documentation.
The first step is to choose the column type for the ethanol-water separation. Click on
columns to view the different column simulations available. The two types of
common interest are 'DSTWU', which is the multicomponent shortcut distillation
method, and 'RadFrac', which is the rigorous simulation of a single column.
Figure 3.1
- Column
and
Stream
menu
For the ethanol + water system, the short-cut will not be appropriate since the system has an azeotrope.
Choose 'RadFrac'. Click on the small arrow on the right side of 'RadFrac' to select the column icon that
you want to use on the PFD. The menu will disappear; move the crosshairs to the desired location on the
main flowsheet window and click the mouse button.
Next you have to add streams to the block. Click on the small arrow to the right of
the STREAMS button at the lower left corner of your screen (as shown in Figure
3.1), and choose the stream icon you want from the menu (material, energy or
work). For this example, set up the feed stream: choose the Material stream by
clicking on it. The column will now show arrows where the stream can be
connected; red arrows indicate required streams as shown in Figure 3.2
Figure 3.2 -
Required
and
optional
stream
connection
points
To set up the feed stream to the column, move the crosshair on top of the red feed
position and left click once. Now, move the mouse to the left and click again. You
should now have a defined feed stream (Stream 1). For the outlet streams click the
column outlet first to connect the bottoms (Stream 2) and liquid distillate (Stream
3).
If you make a mistake and want to delete a stream or block, click on the arrow
(select) button at the upper left of the Model Library toolbar, then click on the
stream or block you want to delete and hit the DELETE key.
Figure 3.3 -
Column
after
connection
of material
streams
Now that you have defined the unit operations to be simulated and set up the streams into and out of
the process, you must enter the rest of the information required to complete the simulation. Within
Aspen Plus, the easiest way to find the next step is to use one of the following equivalent commands:
(1) click the Next icon (blue N ->); (2) find 'Next' in the Tools menu; or (3) use keyboard shortcut F4. Any
option will open the Data Browser.
You can change default units by opening the ‘Setup’ Folder as shown below.
You can browse the unit sets to see the choices. The base 'unit-set' names shown above are reserved
names and you cannot modify them. However, if you right-click on a unit set, you can ‘rename’ it and
then modify it. Once you have viewed the units you can specify the choice by using the drop down
boxes.
If you are running Aspen Plus, you may wish to have stream results summarized with mole fractions or
some other basis that is not set by default. Use the 'Report Options' as shown below.
5. Specifying Components
Here you have to enter all the components you are using in the simulation. The opening screen is shown
below.
You need to be aware of the manner in which Aspen implements parameter values because Aspen
offers temperature-dependent functions in place of parameters, and sometimes uses different signs on
parameters than the same models in the literature.
To find information on the property models, access the online help file, and on the page "Accessing
other Help", use the link for "Aspen Properties Help". Then browse to "Aspen Properties Reference".
Then, to find the model description and parameters implementation click in the help window, click on
"Physical Property Methods and Models". Look in Chapter 3 for descriptions of the EOS and activity
models. If you have trouble finding "Physical Property Methods and Models" via the online help links,
load the correct help file C:\Program Files\AspenTech\APrSystem V7.1\GUI\Xeq\aprsystem.chm. You
may also find a pdf file by browsing from the Start menu to C:\Program
Files\AspenTech\Documentation\Aspen Engineering V7_1\Aspen
Properties\AspenPhysPropModelsV7_1-Ref.pdf.
tau.ij = exp(-a.ij/T)
To verify the pure component values (e.g. UNIQUAC R and Q), in the data browser, click the
'Components' folder. Then in the right pane on the 'selection' tab, click the 'Review' button at the bottom
right. The listing will include constants pulled from the Aspen databases, including GMUQR and GMUQQ
and GMUQQ1. For our purposes GMUQQ and GMUQQ1 are the same. These should match the values
from the textbook.
Click on 'Next'. Stream specifications will appear. You must choose the stream composition, flow rate,
and state for feed streams. The state is specified by pressure, temperature, and vapor fraction. For this
example, for the feed stream (1) choose a pressure of 1 atm and a temperature of 25 oC. Now enter the
component molar flow rates as 20 kmol/hr for EtOH and 980 kmol/hr for water. (If you enter feed
composition as mole fractions, you also have to specify the total flow rate.)
Click on Next. The block (RadFrac) setup will appear. For this rigorous simulation, you must specify the
column configuration. Enter the number of stages as 33 and specify total condenser. In the 'Operating
Specifications' section, set the distillate flow rate to 23 kmol/hr, and set the boilup rate at 1500 kmol/hr
as shown below.
Hit 'Next' and the 'Stream' page appears. Locate the feed stream (1) on stage 17. Hit 'Next' to get to the
'Pressure' page. Specify the 'Stage 1/Condenser' pressure as 1 atm. By leaving the other sections of the
pressure page alone, pressure drop through the column will be ignored in this calculation.
In a complex simulation, it is sometime more convenient to work with the PFD to find results. Right-click
on a block or stream for a short-cut menu to results.
You can bring up compiled reports by going to the 'View' menu and clicking on the desired information.
The information in the reports is controlled somewhat by the report options introduced in Section 4.
You can print the process flowchart and include the stream table if you have pasted it onto the PDF. Go
to the 'Setup' page, and click on 'Use Specified Font Size' in order to get a readable printout. Then select
'Print'. To print 'Input Summary', 'History', or results ('Report'), go to the 'View' menu and select your
choice. Save the information as a Notepad (.txt text) file, which you can then import into Word or Excel
and print much more efficiently. The default reports have more information than you typically need.
Avoid printing reports without reviewing them or pasting them in a Word document or you will use up
print quota quickly!
Aspen will 'reuse' the last state to start the next simulation. When a case crashes, this is usually not
desirable. To reinitialize, use the '|<' button in the main toolbar.
Be sure to explore the phase behavior of the systems in your design. It can be frustrating to try to get
Aspen to give a physically impossible result, but many students have struggled with this, and blame
Aspen. Not all separations are possible because of azeotropes, pinch points, and/or distillation
boundaries.
To see mole fractions of each phase in a mixed stream of multiple phases, you can add mole fractions
as property sets for the specific phases. If you build you simulation from a specialty chemical template,
the property sets XTRUE (liquid mole fraction) and VMOLFRAC (vapor mole fraction) are available. If
these property sets are not available because your simulation did not use the template, you can create
custom property sets that include the vapor and liquid mole fractions. (Properties->Prop-Sets->New...
and then choose the mole fractions as the 'Physical Properties' and the appropriate phases on the
'Qualifiers' tab).
To add these property sets to a stream report, Setup -> Report Options -> Stream Report Tab -> Click the
'Property Sets' button and select the desired property sets to add to the stream report.
Note that it also possible to add activity coefficients, fugacity coefficients in this manner. To view
special properties, create a custom view of the stream report.
8.3 Calculating Pure Properties, Binary Phase Behavior or Ternary Residue Curves
Once all data has been loaded, you may use ‘Tools -> Analysis -> Pure…’ or ‘Tools -> Analysis -> Binary…’
or ‘Tools -> Analysis -> Residue…’ to evaluate properties.
For example, after setting up a acetic acid + water system to use the Hayden-O’Connell method for
vapor fugacities and the UNIQUAC method for liquid properties, a T-x-y diagram can be quickly
generated using ‘Tools -> Analysis -> Binary…’. Be sure to edit the ‘Valid phases’ box if you expect there
may be ‘VLL’ equilibria. (Do not use ‘Free Water’ unless you can safely assume that an aqueous liquid
phase is pure water. This assumption can sometimes be used in petroleum processing of hydrocarbons,
but is not valid for most functional organics).
The diagram is displayed:
When you close the diagram you will find the table with some intermediate calculations. If you would like
to get the values into Excel, drag the mouse over the columns, and copy. Then paste into Excel.
First, specify the components as shown in Section 5. To get properties as a function of composition at a
fixed T and P, you will have to set up a property set and then request execution of the set.
Give the 'Property Set' a name that will help you remember the calculated properties. In this example the
property set is called 'PHIMIX'. On the 'Properties' tab, select the APSEN name for the property that you
want to tabulate. You will probably need to consult the documentation to find the ASPEN name for the
property. In this case, I will select 'PHIMX', the ASPEN name for the component fugacity coefficient in a
mixture. Enter the units if appropriate for your property.
On the 'Qualifiers' tab, set the other details for the calculation. In the case of fugacity coefficients, I
chose to calculate them for the vapor phase.
To instruct ASPEN how to use the property set, you next specify the analysis to be performed.
On the 'Systems' tab, if you intend to specify the temperature and pressure, specify 'Point(s) without a
flash'. It will be necessary to set the flow rates even though there isn't any real process stream. If not
necessary for the calculation, ASPEN will ignore them.
On the 'Tabulate' tab, specify the Property Sets for the analysis, and move them to the right list box:
For summary of the output, click the button on the page for 'Table specifications' and give the table a
name and specify the precision desired, as shown below.
On the variable tab of the 'Property Analysis' set, you will specify the fixed state variables and the
adjusted variables as shown below. Note that the upper section of the form is for the Fixed state
variables, in this case set to be 120C and 1 atm. The lower table has been edited to vary the mole
fraction of acetic acid. Before leaving the form, the values or range for the adjusted variables must be
specified. To provide this information, first put the cursor in the variable field (e.g. the variable 'Mole
fraction' is selected below), and then click the form button named 'Range/List' to specify the range/list
for that variable.
Specify the Range or List of Values to be varied as shown below. Here the range will be from 0 to 1 at
intervals of 0.05.
As an overview, Aspen Properties files hold all the pure component and binary parameter information,
but none of the process schematic information. They also include information about the property
'methods' including customization of how the vapor phase fugacity is calculated, etc., and all reaction
chemistry, etc. Plus they hold user parameters that have been used to specify property information and
binary interaction parameters.
So it is possible to export an Aspen Properties file from one aspen simulation using File>Export, and
then import it into the other simulation. When you export, choose the Aspen Properties backup format,
*.aprbkp for greatest compatibility. I also strongly suggest that you open the exported file using the
Aspen Properties interface and enter a good description of the properties file in the description window
(Setup>Description). This description is viewable when using the File>Open dialog box which is helpful.
Resave the properties file after documenting the file.
When you import to a new simulation using File>Import, you must select from a list the properties that
you wish to import, and there are two options: merge or replace. I have not studied these closely, but it in
my trials, I had to use 'replace' to overwrite the binary parameters. Also, I did not have the patience to
figure out which row in the property list imports the binary interaction parameters. I just used shift-click
to select all rows and used the 'replace' button.
*If you notice any errors or outdated information on this page, please contact Professor Lira who
maintains this content.
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