Aspen Tutorial #6: Aspen Distillation

Outline:
• Problem Description
• Aspen Distillation Options
• DSTWU Distillation
• RadFrac Distillation

Problem Description:
A mixture containing 50.0 wt% acetone and 50.0 wt% water is to be separated into two
streams – one enriched in acetone and the other in water. The separation process consists
of extraction of the acetone from the water into methyl isobutyl ketone (MIBK), which
dissolves acetone but is nearly immiscible with water. The overall goal of this problem is
to separate the feed stream into two streams which have greater than 90% purity of water
and acetone respectively.

This week we will be learning about the various distillation calculation methods that
Aspen uses. We will be completing the separation of our acetone/MIBK streams based
on one of the simplified distillation methods, DSTWU and one of the more rigorous
distillation calculation methods, RadFrac. From this we will be able to compare the
results of the two distillation methods.

Aspen Distillation Options:

Aspen has multiple unit operations options for completing distillation problems, based on
the complexity of the user’s application. Open up your existing Aspen simulation and
click on the Separators tab in the Equipment Model Library. In this tab you will see the
first option that users can choose for completing a distillation process, SEP2. This unit
operation can be used to model separation processes with only two possible outlet
streams. This process can be used to simulate distillations, but it does not provide the
level of detail that is available when using some of the other distillation options. Some
key variables it does not consider include the number of trays and the reflux ratio. For
this reason this option is not recommended except as a very general screening process.

Now select the Columns tab in the Equipment Model Library. You will notice a number
of distillation column options. This tutorial will focus on introducing you to the three
general distillation choices, DSTWU, Distl, and RadFrac. The other six unit operation
choices complete much more rigorous calculations than we require for our application
and they are intended for use in more difficult separations and specific applications (i.e.
PetroFrac is used in simulating refining processes).

The DSTWU unit operation is designed for single feed, two product distillation
processes. This column completes calculations using Gilliland’s, Winn’s, and
Underwood’s methods for calculations of stages and reflux ratios as indicated in Table 1.
These calculations are completed based on two assumptions, constant molar overflow and
constant relative volatilities.

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Table 1: DSTWU Calculation Methods

Shortcut Method Calculates For:

Winn Minimum number of stages
Underwood Minimum reflux ratio
Gilliland Required reflux ratio for a specified number of stages
or required number of stages for a specified reflux ratio

For a specified product recovery (both light and heavy), the DSTWU column first
estimates the minimum number of stages and the minimum reflux ratio, and then it
calculates the either the required reflux ratio or the required number of theoretical stages
based on the user input. During these calculations, Aspen will also estimate the optimum
feed stage location and the condenser and reboiler duties. Finally, when the calculations
are complete, Aspen can produce tables and plots of the reflux ratio/stage profile. When
completing complicated simulations later in your career, you could use this column to get
a quick idea about a process, and use its results as inputs to a more detailed simulation.

The Distl unit operation is also designed for a single feed, two product distillation
process. However, this column calculates product compositions based on the Edmister
approach. Again, the calculations are completed based on the assumptions of constant
molar overflow and constant relative volatilities. The user is required to input a number
of the column specifications with this unit operation, including the number of stages, the
reflux ratio, and the distillate to feed ratio. We will not be using this option.

The final general distillation unit operation is the RadFrac column. This distillation unit
completes much more rigorous calculations than the other two methods and can be used
to simulate absorption, stripping, extractive distillation, and azeotropic distillation for
solids, liquids, and gases. This column can also be used for highly non-ideal liquid
solutions or processes with an on-going chemical reaction. Finally, the RadFrac column
can have multiple feed and product streams (including pump-around streams) and it can
simulate columns with trays, random packing, or structured packing. As you can see, this
distillation option is much more complicated than the previous two methods, and we will
be covering this method in more depth as we input the data for it.

DSTWU Distillation:
In the last Aspen homework, we adjusted our design specification input in Tutorial #5 to
achieve a water purity of 95%. We will keep this updated specification in our ongoing
simulation, so if you did not complete the homework two weeks ago, do so now.

The first update we will make to our simulation is the addition of another mixer. Add in
a new mixer which combines the two streams of acetone and MIBK from the two flash
separators that we added in the previous tutorials. This can be seen in the process
flowsheet window shown in Figure 1.

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Figure 1: Acetone/MIBK Mixer

At this point save your Aspen simulation under two names. We will use one version to
complete a distillation with the DSTWU distillation column and we will use the other
version to complete the simulation with the RadFrac column. I would suggest saving
them with names that indicate which distillation method is being used.

Now select the Columns tab in the Equipment Model Library and place a DSTWU
column into the process flowsheet window. Connect the product stream from the new
mixer to the DSTWU column and add in two product streams where Aspen indicates they
are required. We will also be adding in a third product stream off of the condenser, to
account for any free water product that can be separated from within the condenser.
Rename the streams and column as you see fit. At this point your flowsheet should look
similar to that in Figure 2.

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Figure 2: Completed Process Flowsheet

Now open up the Data Browser window. You will notice that we are only required to
update our data input in the Blocks tab. Under the appropriate option for the new mixer,
input a mixing temperature and pressure of 75º F and 50 psi. Then open up the
appropriate option for the distillation column. The input window is shown below in
Figure 3.

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Figure 3: DSTWU Data Input Window

For this simulation we will be inputting the reflux ratio, the key component recoveries,
and the tower pressures. For our purposes, we will assume that the tower has no pressure
drop throughout it. However, we will set the condenser and reboiler pressures to 15 psi
to aid in our separation process. We will start with an input reflux ratio of 1.5, but we
will be varying this value to try and get our desired product purity. The component
recovery values that are input are equal to the amount of each component in the distillate
divided by the amount of each component in the feed. For this reason a recovery of 99%
for acetone and 1% for the MIBK are not unreasonable if our distillation tower is
operating well. The completed input screen is shown in Figure 4.

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Figure 4: Completed DSTWU Input Window

For our benefit, we would also like Aspen to produce a table of reflux ratio vs. the total
number of calculated theoretical trays. This can be easily done by selecting the
Calculation Options tab at the top of the DSTWU input window. Check the box
corresponding to this calculation now.

At this point our simulation is complete. Reinitialize and run your simulation. If you
look closely at your results, you will notice that we do not achieve the desired 90% purity
of acetone in this simulation. The stream table from my simulation is shown in Figure 5
where it can be seen that my simulation only achieved an acetone purity of 88%.

We can examine the reflux ratio profile for our distillation column at this time. This can
be done by opening up the Data Browser window (if it is not already open) and selecting
the Blocks tab. Under this tab there is an option labeled Results. Open up this window,
and then select the tab at the top entitled Reflux Ratio Profile. If you were designing this
tower, you could use the information in this table to determine the most cost-effective
design for your distillation column. Each tray will add to the equipment cost, while the
increased reflux adds to the operating costs of the column. We will use some of this
information in our input for the RadFrac column.

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Tutorial 6 - DSTWU Distilla tion

Str ea m ID DI STI LL ACETONE MI BK FREEW AT
Te m per a ture F 75.2 137.0 235.2 137.0
P re ssure psi 50.00 15.00 15.00 15.00
Va por Fra c 0.000 0.000 0.000 0.000
Mole Flow lbm ol/hr 5.774 1.006 4.253 0.514
Ma ss Flow lb/hr 485.182 54.950 420.966 9.266
Volum e Flow c uf t/hr 9.586 1.161 9.474 0.151
Enthalpy MM Btu/hr - 0.771 -0.109 - 0.560 - 0.063
Ma ss Flow lb/hr
WATER 12.666 2.367 1.033 9.266
ACETO NE 48.835 48.346 0.488
METHY-01 423.681 4.237 419.445
Ma ss Fr ac
WATER 0.026 0.043 0.002 1.000
ACETO NE 0.101 0.880 0.001
METHY-01 0.873 0.077 0.996

Figure 5: Initial DSTWU Results

Because we did not achieve the desired product purity, we will now write a design spec
to try and reach our goal. Under the Flowsheeting Options tab select Design Spec and
add a new one. This spec will be the calculation of the mass fraction of acetone in the
acetone product stream. We will try to achieve our desired 90 wt% by varying the molar
reflux ratio of the column between 0.5 and 5.0. Specify a tolerance of 0.5% for this spec.
If you do not remember how to do this, refer to Tutorial #5. Hint: the reflux ratio is a
Block-Var.

After you have input your design spec, rerun your simulation. In doing so, you should
get an error that your Aspen simulation did not converge. Close this error message by
hitting the cancel button. Because of the simplifications that are used in this type of
distillation column, the purity level of our product is not affected by the reflux ratio. This
can be confirmed by looking at the Convergence tab in the Data Browser window. Under
this option one of the two solver files should have a red x through it. Opening up this
option and selecting the Spec History tab will open up the window shown in Figure 6.
You will notice in this window that the error values shown in the table do not change as
the reflux ratio does, indicating that our dependent variable value is not changing.

This step was completed to provide a warning to you in your future simulation efforts.
While some of the shortcut methods appear to provide a quick way to obtain results, they
do not always work or provide the accuracy that is desired. For this reason we will
complete the same calculations with the RadFrac column to see if the results are any
different.

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Figure 6: Convergence Window

RadFrac Distillation:
Close your simulation with the DSTWU distillation column and open up the second
version that you should have saved earlier in this tutorial. Add in a RadFrac distillation
column and three product streams as we did earlier. Your process flowsheet should again
look similar to that seen in Figure 2.

Now open up the Data Browser window and the Blocks option. Input the same process
design conditions for the mixer and then open up the screen related to our new column.
This input window is shown in Figure 7. As you can see, this column requires a lot more
input than the DSTWU column required.

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Figure 7: RadFrac Input Window

In order to compare the two distillation methods, we must input identical values into this
input window wherever possible. In the Configuration tab select a total condenser, and
change the valid phases to Vapor-Liquid-FreeWaterCondenser. Input a reflux ratio of 1.5
as well (molar basis). In order for us to input a specified product recovery, we must
change one of the operating specifications to the option Distillate to feed ratio. However,
this option is different than that for the DSTWU column and we must select the specific
components that we are specifying the recovery of. To do this hit the Feed Basis button.
Move acetone from the available list to the selected list under the components box and
then hit the close button. Now input a recovery of 0.99. At this point we have input all
of the data that was required of us for the DSTWU column (for this window), but in this
case Aspen still requires more data.

You might remember looking at the reflux ratio to theoretical tray profile in the DSTWU
simulation. In this profile, Aspen had calculated that 10 theoretical trays were required
for a reflux ratio of 1.49. For this reason, we will input 10 trays into this simulation. At
this point the input for the Configuration tab should be complete and your window should
look like that seen in Figure 8.

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Figure 8: Completed Configuration Input

Under the Streams tab we need to input the location of the feed stream. As discussed in
you mass transfer class, we will put the feed at the middle stage of the column, tray 5. In
addition, your acetone stream should say 1st liquid, your water stream should say free
water, and your MIBK stream should say liquid. This completes the Streams tab input.
You might notice that the tray corresponding to each product stream is shown in this
window. If we had any side draws from our tower or additional feeds, we would need to
input which tray they occur from or to in this window.

In the final input tab, Pressure, we use the same assumption that we used in the DSTWU
simulation, no pressure drop. Again, we will simulate a distillation column that is
operating at 15 psi. Input this as the operating pressure at Stage 1.

At this point our required input is again complete and we are ready to run our simulation.
Reinitialize and run your simulation at this point. You will notice in Figure 9 that this
initial simulation actually calculates a worse purity for our acetone product than that
which was obtained with the DSTWU distillation column. For this reason we will again
try to input a design spec to see if we can achieve our desired 90% purity. Input the same
design spec that we used in the DSTWU distillation simulation and then reinitialize and
rerun your simulation.

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Tutorial 6 - Ra dFr ac D istilla tion

Str ea m ID DI STI LL ACETONE FREEW AT MI BK
Te m per a ture F 75.2 138.6 138.6 213.1
P re ssur e psi 50.00 15.00 15.00 15.00
Va por Fra c 0.000 0.000 0.000 0.000
Mole Flow lbm ol/hr 5.774 0.832 0.354 4.587
Ma ss Flow lb/hr 485.182 46.466 6.379 432.336
Volum e Flow c uf t/hr 9.586 0.980 0.104 9.518
Enthalpy MM Btu/hr - 0.771 - 0.091 - 0.043 - 0.601
Ma ss Flow lb/hr
WATER 12.666 2.021 6.379 4.266
ACETONE 48.835 38.224 10.611
METHY-01 423.681 6.222 417.460
Ma ss Fr ac
WATER 0.026 0.043 1.000 0.010
ACETONE 0.101 0.823 0.025
METHY-01 0.873 0.134 0.966

Figure 9: Initial RadFrac Results

This time your simulation should converge, with an acetone weight percent of 90%. The
results that I obtained are shown below in Figure 10.

Tutorial 6 - RadFrac Distillation

Stream ID DIST ILL ACET ONE FREEWAT M IBK
Temperature F 75.2 136.5 136.5 208.0
Pressure psi 50.00 15.00 15.00 15.00
Vap or Frac 0.000 0.000 0.000 0.000
M ole Flow lbmol/hr 5.774 0.832 0.234 4.707
M ass Flow lb/hr 485.182 45.126 4.219 435.837
Volume Flow cuft/hr 9.586 0.954 0.069 9.532
Enthalpy M MBtu/hr -0.771 -0.090 -0.029 -0.618
M ass Flow lb/hr
WATER 12.666 1.938 4.219 6.509
ACET ONE 48.835 40.596 8.239
METHY-01 423.681 2.592 421.089
M ass Frac
WATER 0.026 0.043 1.000 0.015
ACET ONE 0.101 0.900 0.019
METHY-01 0.873 0.057 0.966

Figure 10: Final RadFrac Results

As discussed in Tutorial #2, we should now check our results to make sure that they are
reasonable. We will also check some of the operating parameters for the distillation
column. If you look at the Run Control Panel, you will notice that the second design spec
that we used took 5 iterations to converge, which is quite reasonable. Now open up the
Data Browser window if it is not already open. We will look closely at the results for the

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RadFrac column because this is the only significant addition to our simulation since the
last time we checked the results closely. Select the appropriate unit operation under the
Blocks option. Scroll down until you see the choice Results Summary and open this
window. This is shown in Figure 11.

Figure 11: RadFrac Results Summary

This window shows the final operating conditions for the distillation column that were
calculated by the program. You can see in this window that our final molar reflux ratio
was 3.13. You can also see the required condenser cooling duty. If you switch to the
Reboiler / Bottom stage option you can see the required heat input into this column as
well.

If you select the Balance tab at the top of the screen, you can see the overall heat and
material balances for the column. You can also see the relative difference in the values
(emphasizing the fact that no simulation is “perfect”).

Under the Profiles option (in the Data Browser options) Aspen presents you with a
summary of the operating conditions for this simulation. Under the TPFQ option you can
see a breakdown of the liquid and vapor flow rates from each tray. You can also modify
the table to show the heat balance or temperature profile. Under the Compositions tab at
the top of the screen, you can see a profile of each of the components throughout the

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column. If all of your checks appear to be acceptable, you have finished your final Aspen
tutorial.

Next Week: Stand-alone Aspen Problem

Hints for next week’s final Aspen homework problem:

• Use DSTWU to determine the minimum reflux ratio and number of stages.
Under View/Reports, you can generate a report for a DSTWU column that
shows this information (if the inputs are correct).

• An input reflux ratio of -1 causes Aspen to use the minimum reflux ratio. Any
negative number input as a reflux ratio is used as that number times the
minimum reflux ratio (i.e. -2 indicates a reflux ratio of 2*Rmin).

• Tables in the Data Browser window can be plotted by selecting each column one
at a time and then selecting Plot/X-Axis Variable (or Y-Axis Variable). After
each axis variable has been selected the graph can be plotted with Plot/Display
Plot.

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Tutorial #6 Homework and Solution

Question:
Submit a copy of the Input Summary that is generated for your RadFrac distillation
simulation and a stream table with the four final product streams only (two water streams,
an acetone stream, and an MIBK stream). For help doing this, see Tutorial #2.

Solution:
;Input Summary created by Aspen Plus Rel. 12.1 at 09:37:13 Tue Nov 16, 2004
;Directory Filename C:\DOCUME~1\Matt\LOCALS~1\Temp\~ap1a.tmp

TITLE 'Tutorial 6 - RadFrac Distillation'

IN-UNITS ENG

DEF-STREAMS CONVEN ALL

DESCRIPTION "THIS IS THE SOLUTION, DO NOT USE ME”

General Simulation with English Units :
F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr.

Property Method: None

Flow basis for input: Mole

Stream report composition: Mole flow

"

DATABANKS PURE12 / AQUEOUS / SOLIDS / INORGANIC / &

NOASPENPCD

PROP-SOURCES PURE12 / AQUEOUS / SOLIDS / INORGANIC

COMPONENTS
WATER H2O /
ACETONE C3H6O-1 /
METHY-01 C6H12O-2

SOLVE
PARAM METHOD=EO

FLOWSHEET
BLOCK MIXER1 IN=FEED MIBK1 OUT=PRODUCT1
BLOCK FLASH1 IN=PRODUCT1 OUT=VAPPROD1 M-A1 W-A1
BLOCK MIXER2 IN=W-A1 MIBK2 OUT=PRODUCT2

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BLOCK FLASH2 IN=PRODUCT2 OUT=VAPPROD2 M-A2 WATER

BLOCK MIXER3 IN=M-A1 M-A2 OUT=DISTILL
BLOCK RADFRAC IN=DISTILL OUT=ACETONE MIBK FREEWAT

PROPERTIES NRTL

PROP-DATA NRTL-1
IN-UNITS ENG
PROP-LIST NRTL
BPVAL WATER ACETONE .0544000000 755.9488740 .3000000000 0.0 &
0.0 0.0 68.00000346 203.1800024
BPVAL ACETONE WATER 6.398100000 -3256.183774 .3000000000 &
0.0 0.0 0.0 68.00000346 203.1800024
BPVAL WATER METHY-01 9.162943000 -2247.739182 .2000000000 &
0.0 0.0 0.0 32.00000374 240.8000021
BPVAL METHY-01 WATER -3.230481000 2175.978583 .2000000000 &
0.0 0.0 0.0 32.00000374 240.8000021
BPVAL ACETONE METHY-01 -5.445200000 3300.340834 .3000000000 &
0.0 0.0 0.0 77.00000338 230.2340022
BPVAL METHY-01 ACETONE 5.301300000 -3124.634735 .3000000000 &
0.0 0.0 0.0 77.00000338 230.2340022

STREAM FEED
SUBSTREAM MIXED TEMP=75. PRES=50. MASS-FLOW=100.
MASS-FRAC WATER 0.5 / ACETONE 0.5 / METHY-01 0.

STREAM MIBK1
SUBSTREAM MIXED TEMP=75. PRES=50. MASS-FLOW=100.
MASS-FRAC METHY-01 1.

STREAM MIBK2
SUBSTREAM MIXED TEMP=75. PRES=50. MASS-FLOW=50.
MASS-FRAC METHY-01 1.

BLOCK MIXER1 MIXER

PARAM NPHASE=1 PHASE=L
BLOCK-OPTION FREE-WATER=NO

BLOCK MIXER2 MIXER

PARAM PRES=50. T-EST=75.

BLOCK MIXER3 MIXER

BLOCK FLASH1 FLASH3

PARAM TEMP=75. PRES=50.

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BLOCK FLASH2 FLASH3

PARAM TEMP=75. PRES=50.

BLOCK RADFRAC RADFRAC

PARAM NSTAGE=10 NPHASE=2
COL-CONFIG CONDENSER=TOTAL
FEEDS DISTILL 5
PRODUCTS ACETONE 1 L1 / FREEWAT 1 W / MIBK 10 L
P-SPEC 1 15.
COL-SPECS D:F=0.99 RW=0. MOLE-RR=1.5
DB:F-PARAMS COMPS=ACETONE
BLOCK-OPTION FREE-WATER=YES

DESIGN-SPEC A-PURITY
DEFINE ACETON MASS-FRAC STREAM=ACETONE SUBSTREAM=MIXED &
COMPONENT=ACETONE
SPEC "ACETON" TO "0.90"
TOL-SPEC "0.005"
VARY BLOCK-VAR BLOCK=RADFRAC VARIABLE=MOLE-RR &
SENTENCE=COL-SPECS
LIMITS "0.5" "5.0"

DESIGN-SPEC W-PURITY
DEFINE WATER MASS-FRAC STREAM=WATER SUBSTREAM=MIXED &
COMPONENT=WATER
SPEC "WATER" TO "0.95"
TOL-SPEC "0.001"
VARY MASS-FLOW STREAM=MIBK2 SUBSTREAM=MIXED &
COMPONENT=METHY-01
LIMITS "25" "400"

EO-CONV-OPTI

STREAM-REPOR WIDE NOMOLEFLOW MASSFLOW MASSFRAC

;

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Tutorial 6 - RadFrac Distillation

Stream ID WATER FREEWAT ACETONE MIBK
Temperature F 75.0 136.5 136.5 208.0
Pres sure psi 50.00 15.00 15.00 15.00
Vapor Frac 0.000 0.000 0.000 0.000
Mole Flow lbmol/hr 2.100 0.234 0.832 4.707
Mass Flow lb/hr 39.294 4.219 45.126 435.837
Volume Flow cuft/hr 0.641 0.069 0.954 9.532
Enthalpy MMBtu/hr -0.258 -0.029 -0.090 -0.618
Mass Flow lb/hr
WATER 37.334 4.219 1.938 6.509
ACETONE 1.165 40.596 8.239
METHY-01 0.795 2.592 421.089
Mass Frac
WATER 0.950 1.000 0.043 0.015
ACETONE 0.030 0.900 0.019
METHY-01 0.020 0.057 0.966

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