EKC 451 Process

Design and Analysis

Dr. Ing NoorAshrina A. Hamid

Dr.-Ing. NoorAshrina A Hamid
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 DSTWU A Shortcut Distillation
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Objectives
Understand the capabilities (and limitations) of
DSTWU.
Know the methods implemented in DSTWU and the
assumptions used in these methods.
Learn how to configure a DSTWU block and review
results.

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Background
When we are given a task to conceptually design a column to
separate a stream into products streams, the following
questions pop up in our mind:
How many stages do we need for the column?
How big should the reflux ratio be?
For mixtures where the following assumptions are good
approximations, we can use the DSTWU block to get a rough
answer for those questions quickly.
Constant relative volatilities.
Constant molar overflows.
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The DSTWU block implements the following methods:

Winn method to estimate the minimum number
of stages.
Underwood to calculate the minimum reflux ratio.
Gilliland to relate the actual number of stages and
reflux ratio.
These methods are based on the following two assumptions:
Constant relative volatilities.
Constant molar overflows.
Therefore, the DSTWU block should not be used for mixtures that
significantly deviate from the above two assumptions.

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Exercise
Use DSTWU to calculate the following for the mixture of cis-n-
butene/trans-n-butene with a mole composition of 0.5/0.5. The trans-n-
butene recovery is 0.99.
Minimum reflux ratio.
Minimum number of stages.
Actual reflux ratio.
Actual number of stages.

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First we will create a simulation for the separation of n-butane

and cis-2-butene using the DSTWU model.

1. Start a new simulation using the Blank Simulation template

in Aspen Plus.

2. The Components | Specifications | Selection sheet is

displayed. Enter N-BUTANE in the Component ID column.
Note that Component name and Alias are automatically filled
for this component. Enter BUTENE as Component ID for the
second component. Since BUTENE cannot uniquely identify a
component, enter CIS-2-BUTENE as the Component name for
the second component.

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3. Define methods. Go to the Methods | Specifications |

Global sheet. Select PENG-ROB for Base method.

4. Go to the simulation environment and place a DSTWU block

onto the Main Flowsheet. The DSTWU model is located
under the Columns tab in the Model Palette. Connect the
inlet and outlet ports with Material streams and rename
them accordingly.

5. Specify feed streams. Double click on stream FEED or go to

the Streams | FEED | Input | Mixed sheet. Select Vapor
Fraction and Pressure for Flash Type. Enter 1 for Pressure
and 0.5 for Vapor fraction. In the Composition frame, enter
50 for both N-BUTANE and BUTENE.
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6. Specify column operating conditions. Double click the

column block on the Main Flowsheet or go to the Blocks |
DSTWU | Input | Specifications sheet. In the Column
specifications frame, select the Reflux ratio option and enter
2 for Reflux ratio. In the Pressure frame, enter 1 for both
Condenser and Reboiler. In the Key component recoveries
frame, select N-BUTANE for Comp and enter 0.99 for Recov
for Light key. Select BUTENE for Comp and enter 0.01 for
Recov for Heavy key.

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7. Run the simulation by pressing the F5 key.

After running the simulation, you should
receive an error for the DSTWU block stating
that the specified reflux ratio is less than the
minimum reflux ratio. DSTWU also took
corrective action and calculated the actual
reflux ratio based on the minimum reflux
ratio. Therefore, the results are valid despite
the error message. Go to the Blocks |
DSTWU | Results | Summary sheet.
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8. This table provides very useful design information including

Minimum reflux ratio, Minimum number of stages, and
estimated duties. This table also provides an Actual reflux
ratio and an Actual number of stages. These values will
serve as good design estimates for this separation.

9. Now, save the simulation. On the ribbon, click File and then
click Save As to save the simulation as Dist-006_DSTWU-C4-
C4.bkp. Close the Aspen Plus simulation window.

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10. We will now create a simulation for the separation of ethanol

and water using the DSTWU model. Start another new
simulation using the Blank Simulation template in Aspen
Plus.
11. The Components | Specifications | Selection sheet is
displayed. Enter WATER and ETHANOL in the Component ID
column.
12. Define methods. Go to the Methods | Specifications |
Global sheet. Select ALL for Method filter. Select UNIQ-RK
for Base method.
13. Press the Next Input button on the Quick Access Toolbar (or
press the F4 key on your keyboard). Binary parameters are
automatically populated on the Methods | Parameters |
Binary Interaction | UNIQ-1 | Input sheet.
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14. Go to the Simulation environment and place a DSTWU block

onto the Main Flowsheet. The DSTWU model is located
under the Columns tab in the Model Palette. Connect the
inlet and outlet ports with Material streams and name them
accordingly.

15. Specify the feed stream. Go to the Streams | FEED | Input |

Mixed sheet. Select Vapor Fraction and Pressure for Flash
Type. Enter 1 for Pressure and 0.5 for Vapor fraction. In the
Composition frame, enter 50 for both WATER and ETHANOL.

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16. Specify column operating conditions. Go to the Blocks |

DSTWU | Input | Specifications sheet. In the Column
specifications frame, select the Reflux ratio option and enter
2 for Reflux ratio. In the Pressure frame, enter 1 for both
Condenser and Reboiler. In the Key component recoveries
frame, select ETHANOL for Comp and enter 0.99 for Recov
for Light key. Select WATER for Comp and enter 0.01 for
Recov for Heavy key.

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17. Run the simulation by pressing the F5 key. There are error
messages during simulation and the calculated minimum
number of stages is a negative number. Therefore, the results
cannot be used. We know that water and ethanol form an
azeotrope and thus the assumption of constant relative
volatility is not valid for this system.

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For mixtures where the following two assumptions are good

approximations, the shortcut methods implemented in
DSTWU are very useful and efficient to get us started.
Constant relative volatilities
Constant molar overflow
For systems that significantly deviate from those two
assumptions (e.g., ethanol-water), these shortcut methods
are not useful and we should not rely on results from these
shortcut methods. For such cases, we need to use more
rigorous models (e.g., RadFrac).

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Distl A Shortcut Distillation Model in Aspen
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Objectives
Understand the capabilities (and limitations) of
Distl.
Know the method implemented in Distl and
associated assumptions.
Learn how to configure a Distl block and review
results.
Learn how to configure a RadFrac block. Learn
how to use Design-Spec/Vary in RadFrac

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Background
For mixtures where the following assumptions are good
approximations, we can use the Distl block to calculate
compositions of product streams after we obtain the
number of stages and reflux ratio required.
Constant relative volatilities.
Constant molar overflows.
The accuracy of the results from a Distl block is very
limited. More rigorous model should be used for much
better accuracy. Of course, results from DSTWU and Distl
can be used as a good starting point for rigorous models
such as RadFrac.

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Distl implements Edmisters method to calculate column

compositions for a given number of stages and reflux ratio.
The Edmisters method is also based on the assumptions of
constant relative volatilities and constant molar overflows.
Thus, Distl should not be used for mixtures that significantly
deviate from these assumptions.
Results from shortcut models such as Distil typically contain
very noticeable inaccuracy. A rigorous model (e.g., RadFrac)
should be used to generate more accurate results.
In RadFrac, reflux ratio is typically varied to achieve a purity
target.

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For the mixture of cis-n-butene/trans-n-butene with a mole

composition of 0.5/0.5, use Distl to calculate the compositions
of the two product streams. The results from the DSTWU
block in the exercise for example Dist-001_DSTWU are used
as the inputs.
Then, use RadFrac to obtain the required reflux ratio to
achieve a purity of 0.99 (on the mole basis) for the distillate.
Use these input to run the RadFrac to achieve purity of 0.99
Number of stages: 83
Feed stage: 46
Reflux ratio: 26.18
Distillate to feed mole ratio: 0.5
Condenser & Reboiler pressure: 1 bar

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1. Create a new simulation in Aspen Plus using the Blank

Simulation template.
2. The Components | Specification | Selection sheet is
displayed. Enter N-BUT-01 and CIS-2-01 for Component ID.
In the Component name column, enter N-BUTANE and CIS-2-
BUTENE.
3. Define methods. Go to the Methods | Specifications |
Global sheet and select PENG-ROB for Base method.
4. Create flowsheet. Go to the simulation environment and
place a Distl block on the Main Flowsheet. The Distl block is
located under the Columns tab in the Model Palette.
Connect the inlet and outlet ports with material streams and
rename them accordingly.
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5. Define feed stream. Double click on stream FEED or go to the

Streams | FEED | Input | Mixed sheet. Select Vapor Fraction
and Pressure for Flash Type. Enter 1 for Pressure and 0.5 for
Vapor fraction. In the Composition frame, enter 50 for both
N-BUT-01 and CIS-2-01.
6. Define block operating conditions. Double click on the
column block or navigate to the Blocks | DISTL | Input |
Specifications sheet. Enter 83 for Number of stages, 46 for
Feed stage, 26.18 for Reflux ratio and 0.5 for Distillate to
feed mole ratio. In the Pressure specifications frame, enter 1
for both Condenser and Reboiler.
7. Go to the Setup | Report Options | Stream sheet. In the
Fraction basis frame, check the Mole check box.
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8. Press the F5 key to run the simulation. Go to the Blocks |

DISTL | Results | Summary sheet to check the results.
9. Check stream results. Go to the Blocks | DISTL | Stream
Results | Material sheet. You will see that the distillate and
bottoms streams are close to but not quite reaching the
desired purity of 99 mol%. Now, we can move to rigorous
distillation.
10. Next we will create a simulation for this same separation
using the RadFrac block. Create a new simulation in Aspen
Plus using Blank Simulation template.
11. Define Components and Methods the same as in the
previous simulation file.
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12. Create flowsheet. Go to the simulation environment and

place a RadFrac block onto the Main flowsheet. The RadFrac
block is located under the Columns tab of the Model Palette.
Connect the inlet and outlet ports with Material streams and
rename them accordingly. Note that stream DIST is
connected to the Liquid Distillate port (not the Vapor
Distillate).
13. Define feed streams. Double click on stream FEED or navigate
to the Streams | FEED | Input | Mixed sheet. Enter the same
information for this stream as in the previous simulation

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14. Specify column operating conditions. Double click on the

column block or navigate to the Blocks | RADFRAC |
Specifications | Setup | Configuration sheet. We use the
same specifications for this column as those previously used
for the Distl block. Enter 83 for Number of stages. Select
Total for Condenser. Enter 50 for Distillate rate and 26.18 for
Reflux ratio.
15. Go to the Blocks | RADFRAC | Specifications | Setup |
Streams sheet. Enter 46 in the Stage column for FEED.
16. Go to the Blocks | RADFRAC | Specifications | Setup |
Pressure sheet. Enter 1 for Stage 1 / Condenser pressure.

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17. Create design spec to achieve purity target by varying reflux

ratio. In the navigation pane, select the Blocks | RADFRAC |
Specifications | Design Specifications node. The object
manager for Design Specs is displayed. Click the New
button to create a new Design Specs called 1.
18. Go to the Blocks | RADFRAC | Specifications | Design
Specifications | 1 | Specifications sheet. Select Mole purity
for Type and enter 0.99 for Target.
19. Go to the Blocks | RADFRAC | Specifications | Design
Specifications | 1 | Components sheet. In the Components
frame, move N-BUT-01 to the Selected components list. In
the Base components frame, move all components to the
Selected components list.
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20. Go to the Blocks | RADFRAC | Specifications | Design

Specifications | 1 | Feed/Product Streams sheet. In the
Product streams frame, move DIST to the Selected stream
list as shown below.

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21. Now, we create a corresponding Vary section. In the

navigation pane, select the Blocks | RADFRAC | Vary node.
The object manager for Vary is displayed. Click the New
button to create a new Vary called 1.

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22. Go to the Blocks | RADFRAC | Specifications | Vary | 1 |

Specifications sheet. Select Reflux ratio for Type. Enter 1 for
Lower bound and 200 for Upper bound.

23. Press the F5 key to run simulation and it completes without

any error or warning. Go to the Blocks | RADFRAC | Profiles
| Compositions sheet. Select Liquid for View. Note that the
purity of the liquid from the top stage is 0.99 in mole
fraction, which is consistent with the target we entered
earlier.

24. Go to the Blocks | RADFRAC | Results | Summary sheet to

check results. The reflux ratio required to produce a distillate
stream with 99% mole purity of n-butane is 33.1252.
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Learn how to configure a reactive distillation

column.
Learn a few tips to get a RadFrac block to
converge, which is very useful for dealing with
strongly nonlinear and/or reactive mixtures.
Learn how to deal with mixtures involving
electrolytes.

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Chemical absorption is typically more effective than

physical absorption.
Chemical absorption is typically achieved in reactive
distillation columns.
Capture of CO2 with amines has been a very active
topic in both the academic world and the industrial
world. Absorption of CO2 with amines is often
achieved in reactive distillation columns.

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Electrolyte wizard can be used to generate the chemistry for

the mixture involving electrolytes.

Define reactions for distillation columns.

Reference the defined reactions in RadFrac.

Smaller holdup means less reaction, which typically means

easier convergence. So, when it is difficult to get a reactive
column to converge, start with a small holdup and then
gradually increase the holdup to the target value.

Generating estimates and switching to the Newtons method

typically make RadFrac numerically more robust.

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Global warming and greenhouse gas emissions have been

gaining more and more attention in the world. As a result,
CO2 capture has been a hot topic in both the academic world
and in industry. This example shows how to use Aspen Plus to
simulate the process of CO2 capture using MDEA.

Start a new simulation using the Blank Simulation template in

Aspen Plus.

The Components | Specification | Selection sheet is

displayed. Enter WATER, CO2, N2, and MDEA for Component
ID. Enter C5H13NO2 in the Alias column for MDEA.

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Use the Elec Wizard to define the electrolytes in the system.

Click the Elec Wizard button found on the Components |
Specifications | Selection sheet. On the window that pops up,
select unsymmetric for reference state for ionic components.
Click the Next button.

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On the following window, select all available components, and

check the box to include water dissociation reaction. Click the
Next button.

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1. The next window will allow you to remove any undesired

reactions or species, and to choose the property method. In
this case we will not make any changes, click the Next
button.

2. Another window will appear asking to select the electrolyte

simulation approach. True component approach is the
default option. Confirm that this option is selected and click
the Next button.

3. Finally, a summary window will appear. Click the Finish

button on the Electrolyte Wizard window.

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4. You will notice that all components are defined now.

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5. Confirm Henry
components. Go to the
Components | Henry
Comps | Global |
Selection sheet, or
press the Next button
(the F4 key) to get
there.

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6. Confirm methods and parameters. Use the Next button (the F4

key) to confirm Base method on the Methods | Specifications
| Global sheet.

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7. Press the F4 key three times (one at a time) to confirm

Binary Interaction parameters.

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8. Press the F4 key twice (one at a time) to view Electrolyte

Pairs.

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9. Create flowsheet. Go to the simulation environment by

clicking the Simulation bar at the bottom left corner of the
screen.

10. Place a RadFrac block onto the Main flowsheet and connect
two feed streams, a vapor distillate stream, and a liquid
bottoms stream to the column inlet and outlet ports. Name
the streams MDEA, FEED, CLEANGAS, and RICH-SOL as
shown below. Also, rename the RadFrac block COL-MAIN.

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11. Specify feed streams. Double click on the FEED stream or use
the navigation pane to go to the Streams | FEED | Input |
Mixed sheet. Specify the Temperature, Pressure, Total flow
rate, and Composition of the FEED stream as shown below.

12. Define MDEA stream. Navigate to the Streams | MDEA |

Input | Mixed sheet. Specify Temperature, Pressure, Total
flow rate, Composition, and Solvent

13. Go to the Flash Options sheet. Specify the Valid phases as

Liquid-Only. This option means that, when specifying the
temperature, pressure, and concentration of a stream, the
stream will be only liquid.

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14. Define reactions. Go to the Reactions folder in the simulation

navigation pane. Click the New button and select REAC-DIST
as the type.

15. For this process we have 5 individual reactions to input into

the R-1 reaction group. Under the newly created reaction
group (R-1) click the New button to enter a new reaction.
Select Kinetic/Equilibrium/Conversion as the reaction type.

16. For the first reaction, select MDEA+ and WATER in the
Reactants frame and MDEA and H3O+ in the Products frame.
Enter a stoichiometric Coefficient of 1 for each component
and select Equilibrium as the Reaction type. Note that a
minus sign is automatically added for numbers in the
Coefficient column in the Reactants frame.
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17. Enter each reaction using this same procedure. The reactions
are listed below.

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18. Make sure to input the correct stoichiometric coefficients

and to select the correct reaction type for each reaction. Also
note that for kinetic reactions, an exponent must be
defined for the reactants. In reactions 4 and 5 the Exponent
is 1 for all reactants. Leave the products exponent blank.
Once the stoichiometry is defined for each reaction, the
kinetic and equilibrium parameters must be specified. Go to
the Reactions | R-1 | Kinetic sheet.

19. For reaction 4, enter a value of 4.3e+13 for k and a value of

13300 cal/mol for E.

20. For reaction 5, enter a value of 3.75e+14 for k and a value of

25300 cal/mol for E.

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21. For reactions 1, 2, and 3 we must enter equilibrium

parameters. Go to the Reactions | R-1 | Equilibrium sheet.
For each reaction select Compute Keq from built-in
expression and then enter the values for A, B, C, and D.

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Reaction #2

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Reaction #3

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22. Specify column operating conditions. Navigate to the Blocks

| COL-MAIN | Specifications | Setup | Configuration sheet.
Enter 30 for Number of stages, None for Condenser and
None for Reboiler.

23. Go to the Streams sheet. For stream MDEA, enter On-Stage

for Convention and 1 for Stage. For stream FEED, enter On-
Stage for Convention and 30 for Stage.

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24. Go to the Pressure sheet and specify 10 bar in the Top

stage/Condenser pressure frame.

25. Specify reactions. Go to the Blocks | COL-MAIN |

Specifications | Reactions | Specifications sheet. Select R-1
as the Reaction ID, enter stage 1 for Starting stage and 30 for
Ending stage.

26. Go to the Blocks | COL-MAIN | Specifications | Reactions |

Holdups sheet. Enter 1 for Starting stage, 30 for Ending
stage, and 160 L for Liquid holdup.

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27. Go to the Setup | Calculation Options | Reactions sheet. In

Activity coefficient basis for Henry components frame,
select Aqueous as shown below

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28. Go to the Blocks | COL-MAIN | Specifications | Convergence

| Convergence | Basic sheet. Change Maximum iterations to
100.
29. Now, we need to get the flowsheet to converge. Go back to
the Blocks | COL-MAIN | Specifications | Reactions |
Holdups sheet. Note that Liquid holdup should eventually be
160. Change it to 16. Then, press the F5 key to run the
simulation. The simulation should complete without any
error or warning.
30. Go to the Blocks | COL-MAIN | Reactions | Holdups sheet.
Change Liquid holdup to 50. Then, press the F5 key to run
the simulation. The simulation should complete without any
error or warning.
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31. Change Liquid holdup to 100. Then, press the F5 key to run the
simulation. The simulation should complete without any error or
warning.

32. Change Liquid holdup to 160. Then, press the F5 key to run the
simulation. The simulation should complete without any error or
warning.

33. Go to the Blocks | COL-MAIN | Specifications | Setup | Configuration

sheet. Select Custom for Convergence.

34. Go to the Blocks | COL-MAIN | Convergence | Estimates | Temperature

sheet. Click the Generate Estimates button. In the popup dialog box,
select options to generate the most estimates as shown below. Then click
Generate button and wait for estimate generation to complete.

35. Go to the Blocks | COL-MAIN | Convergence | Convergence | Basic

sheet. Change Algorithm to Newton.
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36. In the Advanced sheet, select Dogleg strategy for Stable-

Meth.
37. Click the button in the Home | Run group of the ribbon to
reinitialize simulation. Run the simulation again to ensure it
still converges.
38. Check results. Go to the Results Summary | Streams |
Material sheet. You can see that the stream CLEANGAS
contains significantly less CO2 than stream FEED.

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Reactive Distillation Column Assignment 2
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Use RadFrac to model absorption of HCl with water.

Gas stream to be treated: N2/O2/HCl with a mole
composition of 0.6/0.15/0.25.
Solvent: water.
Liquid holdup for each stage: 160 L.
Use Electrolyte wizard to generate Chemistry.
Create equilibrium reactions according to the
generated Chemistry.
Ensure that there is almost no HCl left in the gas
stream after absorption.
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