Process Simulation and Control Using Aspen

astern
PROCESS SIMULATION
AND CONTROL USING
METHANOl
BUTENES
RDCOLUMN CCS
AMIYA K. JANA
r
Rs. 295.00
PROCESS SIMULATION AND CONTROL USING ASPEN

Amiya K. Jana
@ 2009 by PHI Leaning Pnvate Limited, New Delhi. All rights reserved. No part of this book may
be reproduced In any form, by mimeograph or any other means, without permission in writing from
the publisher.
ISBN-978-81-203-3659-9
The export rights of this book are vested solely with the publisher.
Published by Asoke K. Ghosh, PHI Learning Private Limited, M-97, Connaught Circus,
New Delhi-110001 and Printed by Jay Print Pack Pivate Limited, New Delhi-110015.
r
Preface
"
The future success of the chemical process industries mostly depends on the ability to
design and operate complex, highly interconnected plants that are proitable and that
"
meet quality, safety, environmental and other standards To achieve this goal, the sotware
.
tools for process simulation and optimization are increasingly being used in industry.
By developing a computer program, it may be manageable to solve a model structure
of a chemical process with a small number of equations. But as the complexity of a plant
integrated with several process units increases, the solution becomes a challenge. Under
this circumstance, in recent years, we motivate to use the process flowsheet simulator to
solve the problems faster and more reliably. In this book, the Aspen sotware package
has been used for steady state simulation, process optimization, dynamics and closed-
loop control.
To improve the design, operability, safety, and productivity of a chemical process
with minimizing capital and operating costs, the engineers concerned must have a solid
knowledge of the process behaviour. The process dynamics can be predicted by solving
the mathematical model equations. Within a short time period, this can be achieved
quite accurately and eiciently by using Aspen lowsheet simulator. This sotware tool is
not only useful for plant simulation but can also automatically generate several control
structures, suitable for the used process flow diagram. In addition, the control parameters,
including the constraints imposed on the controlled as well as manipulated variables.
are also provided by Aspen to start the simulation run. However, we have the option to
modify or even replace them.
This well organized book is divided into three parts. Part I (Steady State Simulation
and Optimization using Aspen Plus ) includes three chapters. Chapter 1 presents the
introductory concepts with solving the lash chambers. The computation of bubble point
and dew point temperatures is also focused. Chapters 2 and 3 are devoted to simulation
of several reactor models and separating column models, respectively.
Part II (Chemical Plant Simulation using Aspen Plus ) consists of only one chapter
(Chapter 4). It addresses the steady state simulation of large chemical plants. Several
individual processes are interconnected to form the chemical plants. The Aspen Plus
simulator is used in both Part I and Part II.
vii
Copyrighted maierlal
viii PREFACE
The Aspen Dynamics package is employed in Part III (Dynamics and Control using
Aspen Dynamics ) that comprises Chapters 5 and 6. Chapter 5 is concerned with the
dynamics and control of low-driven chemical processes. In the closed-loop control study ,
the servo as well as regulatory tests have been conducted. Dynamics and control of
pressure-driven processes have been discussed in Chapter 6.
The target readers for this book are undergraduate and postgraduate students of
chemical engineering. It will be also helpful to research scientists and practising engineers.
Amiya K. -Jana
Acknowledgements
It is a great pleasure to acknowledge the valuable contributions provided by many of my

well-wishers. 1 wish to express my heartfelt gratitude and indebtedness to Prof. A.N.
Samanta, Prof. S. Ganguly and Prof. S. Ray, Department of Chemical Engineeing, IIT
Kharagpur. I am also grateful to Prof. D. Mukherjee, Head, Department of Chemical
Engineeing, IIT Kharagpur. My special thanks go to all of my colleagues for having
created a stimulating atmosphere of academic excellence. The chemical engineering
students at IIT Kharagpur also provided valuable suggestions that helped to improve
the presentations of this material.
I am greatly indebted to the editorial staff of PHI Learning Pivate Limited, for their
constant encouragement and unstinted eforts in bringing the book in its present form.
No list would be complete without expressing my thanks to two most important people
in my life-my mother and my wife. I have received their consistent encouragement and
support throughout the development of this manuscipt.
Any further comments and suggestions for improvement of the book would be
gratefully acknowledged.
rial
Contents
Preface vii
Acknowledgements ix
Part I Steady State Simulation and Optimization

using Aspen Plus
1. Introduction and Stepwise Aspen Plus Simulation:
Flash Drum Examples 3-53
1 1 . Aspen: An Introduction 3
1 2 Getting Started with Aspen Plus Simulation
. 4
1 3 Stepwise Aspen Plus Simulation of Flash Drums
. 7
13 1
. .
Built-in Flash Drum Models 7
13 2 Simulation nf a Flash nmm , , , _
8
1 33
. .
Computation of Bubble Point Temperature 28
1 3
. 4 Computation of Dew Point Temperature
. 35
1 3 5 T-xy and P-xy Diagrams of a Binary Mixture
. . 42
Summary and Conclusions 50
Prnhlpms , , , ,
50
Reference 53
2, Aspen Plus Simulation of Reactor Models 54-106

2 1 .
Built-in Rpartor Models 54
2 2 Aspen Plus Simulation of a RStoic Model
. 55
2 3 Aspen Plus Simulation of a RCSTR Model
. 65
2 4 Aspen Plus Simulation of a RPlug Model
. 78
25 Aspen Plus Simulation of a RPlug Model using LHHW Kinetics
.
93
Prohlpms 704
Reference 106
v
VI CONTENTS
3 . Aspen Plus Sinmlation of Distillation Models 107-185

3 1 Rnilt-in nistillntinn Mndols 107
32 . Aspen Plus Simulation of the Binary Distillation Columns 108
3 2 1 Simulation of a DSTWTT Mnipl IQl
3 9. 9 Simulation of a RaHFrnr MoHpI 122
3 . 3 Aspen Plus Simulation of the Multicomponcnt Distillation Columns 136
3 3 1
.
Simnlnt.ion of a RaHFrar MoHpI 13i
332
. .
Simulation of a PetroFrac Model 148
3 4 Simulation and Analysis of an Absorption Column
. 164
3 .
5 Optimization using Aspen Plus 178
Problems l2
Part II Chemical Plant Simulation using Aspen Plus

4 . Aspen Plus Simulation of Chemical Plants 189-226
4 1 TntrnHnrtion
4 . 2 Aspen Plus Simulation of a Distillation Train 189
4 . 3 Aspen Plus Simulation of a Vinyl Chloride Monomer (VCM)
Production Unit 203
Prnhlpms ; , -
220
References 226
Part III Dynamics and Control using Aspen Dynamics

5 . Dynamics and Control of Flow-driven Processes 229-284
5J Tnt.roHiirt.ion 229
52 . Dynamics and Control of a Continuous Stirred
Tank Reactor (CSTR) 230
5 . 3 Dynamics and Control of a Binary Distillation Column 255
Prnhlpms , , ,..
279
References 284
6 . Dynamics and Control of Pressure-driven Processes 285-313

il Tnt.rndnrtinn 285
6 2 . Dynamics and Control of a Reactive Distillation (RD) Column 286
Problems 31J
References 313
Index 315-317
Copyrlghled maierlal
Part I
Steady State Simulation and

Optimization using Aspen Plus
Copyrigf
CHAPTER
i
Introduction and Stepwise
Aspen Plus Simulation:
Flash Drum Examples
11
. ASPEN: AN INTRODUCTION
By developing a computer program, it may be manageable to solve a model structure of

a chemical process with a small number of equations. However, as the complexity of a
plant integrated with several process units increases, solving a large equation set
becomes a challenge. In this situation, we usually use the process lowsheet simulator,
such as Aspen Plus (AspenTech). ChemCad (Chemstations), HYSYS (Hyprotech)
and PRO/II (SimSci-Esscor). In 2002, Hyprotech was acquired by AspenTech.
However, most widely used commercial process simulation sotware is the Aspen
software.
During the 1970s, the researchers have developed a novel technology at the
Massachusetts Institute of Technology (MIT) with United States Department of Energy
funding. The undertaking, known as the Advanced System for Process Engineering
(ASPEN) Project, was originally intended to design nonlinear simulation software
that could aid in the development of synthetic fuels. In 1981, AspenTech, a publicly
traded company, was founded to commercialize the simulation software package.
AspenTech went public in October 1994 and has acquired 19 industry-leading companies
as part of its mission to offer a complete, integrated solution to the process industries
(http://www.aspentech.eom/corporate/careers/faqs.cfm#whenAT).
t
The sophisticated Aspen software tool can simulate large processes with a high
degree of accuracy. It has a model library that includes mixers, splitters, phase
separators, heat exchangers, distillation columns, reactors, pressure changers,
manipulators, etc. By interconnecting several unit operations, we are able to develop a
process low diagram (PFD) for a complete plant. To solve the model structure of either
Copynghled maerial
4 PROCESS SIMULATION AND CONTROL USING ASPEN
a single unit or a chemical plant, required Fortran codes are built-in in the Aspen
simulator. Additionally, we can also use our own subroutine in the Aspen package.
The Aspen simulation package has a large experimental databank for
thermodynamic and physical parameters. Therefore, we need to give limited input data
for solving even a process plant having a large number of units with avoiding human
errors and spending a minimum time.
Aspen simulator has been developed for the simulation of a wide variety of
processes, such as chemical and petrochemical, petroleum refining, polymer, and coal-
based processes. Previously, this flowsheet simulator was used with limited
applications. Nowadays, different Aspen packages are available for simulations with
promising performance. Briefly, some of them are presented below.
Aspen Plus-This process simulation tool is mainly used for steady state simulation of
chemicals, petrochemicals and petroleum industies. It is also used for performance
monitoring, design, optimization and business planning.
Aspen Dynamics-This powerful tool is extensively used for dynamics study and closed-
loop control of several process industries. Remember that Aspen Dynamics is integrated
with Aspen Plus.
Aspen BatchCAD-This simulator is typically used for batch processing, reactions and
distillations. It allows us to derive reaction and kinetic information from experimental
data to create a process simulation.
Aspen Chromatography-This is a dynamic simulation software package used for both
batch chromatography and chromatographic simulated moving bed processes.
Aspen Properties-It is useful for thermophysical properties calculation.
Aspen Polymers Plus-It is a modelling tool for steady state and dynamic simulation,
and optimization of polymer processes. This package is available within Aspen Plus or
Aspen Properties rather than via an external menu.
Aspen HYSYS-This process modelling package is typically used for steady state
simulation, performance monitoring, design, optimization and business planning for
petroleum refining, and oil and gas industries.
It is clear that Aspen simulates the performance of the designed process. A solid
understanding of the underlying chemical engineering principles is needed to supply
reasonable values of input parameters and to analyze the results obtained. For example, a
user must have good idea of the distillation column behaviour before attempting to use
Aspen for simulating that column. In addition to the process flow diagram, required input
information to simulate a process are: setup, components properties, streams and blocks.
,
12 . GETTING STARTED WITH ASPEN PLUS SIMULATION
Aspen Plus is a user-friendly steady state process flowsheet simulator. It is extensively

used both in the educational arena and industry to predict the behaviour of a process
by using material balance equations, equilibrium relationships, reaction kinetics, etc.
Using Aspen Plus, which is a part of Aspen sotware package, we will mainly perform
in this book the steady state simulation and optimization. For process dynamics and
INTRODUCTION AND STEPWISE ASPEN PLUS SIMULATION 5
closed-loop control, Aspen Dynamics (formerly DynaPLUS) will be used in several

subsequent chapters. The standard Aspen notation is used throughout this book. For
example, distillation column stages are counted from the top of the column: the
condenser is Stage 1 and the reboiler is the last stage.
As we start Aspen Plus rom the Start menu or by double-clicking the Aspen Plus
icon on our desktop, the Aspen Plus Startup dialog appears. There are three choices
and we can create our work from scratch using a Blank Simulation, start from a
Template or Open an Existing Simulation. Let us select the Blank Simulation option
and click OK (see Figure 1.1).
MM
MM 'Ml I I-
f
FIGURE 1.1
The simulation engine of Aspen Plus is independent rom its Graphical User
Interface (GUI). We can create our simulations using the GUI at one computer and run
them connecting to the simulation engine at another computer. Here, we will use the
'
simulation engine at Local PC'. Default values are OK.
Hit OK in the Connect to Engine dialog (Figure 1.2). Notice that this step is speciic
to the installation.
The next screen shows a blank Process Flowsheet Window. The irst step in
developing a simulation is to create the process lowsheet. Process flowsheet is simply
deined as a blueprint of a plant or part of it. It includes all input streams, unit
operations, streams that interconnect the unit operations and the output streams.
Several process units are listed by category at the bottom of the main window in a
toolbar known as the Model Library. If we want to know about a model, we can use the
Help menu from the menu bar. In the following, different useful items are highlighted
briely (Figure 1.3).
Copyrighted material
Connect to Engine
Serve« type Local PC
Liter Into
Node name:
Uset name
Password
Working dfedory:
Q Save as Default Cormeciion
OK Exit Help
FIGURE 1.2
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Next button
Data Browser button Solver Setings button
Material STREAMS icon
Status bar
H / lcMM/5«iln«t | Sipiram | H«fEKtwgvt | Calm | Rmovi | PmtutO*no*i | MauMeti | Sat* | UmtUoM j

Model Library toolbar
s 1 mhb rsiK sscn
PatntMrtH'l
FIGURE 1.3
INTRODUCTION AND STKPWISK ASPEN PI.US SIMULATION 7
To develop a lowsheet, irst choose a unit operation available in the Model Library.
Proprietary models can also be included in the lowsheet window using User Models
option. Excel workbook or Fortran subroutine is required to deine the user model. In
the subsequent step, using Material STREAMS icon, connect the inlet and outlet streams
with the process. A process is called as a block in Aspen terminology. Notice that clicking
on Material STREAMS, when we move the cursor into the lowsheet area red and blue
arrows appear around the model block. These arrows indicate places to attach streams
to the block. Red arrows indicate required streams and blue arrows are optional.
When the lowsheet is completed, the status message changes from Flowsheet Not
Complete to Required Input Incomplete. After providing all required input data using
input forms, the status bar shows Required Input Complete and then only the simulation
results are obtained. In the Data Browsery we have to enter information at locations
where there are red semicircles. When one has finished a section, a blue checkmark
appears. In subsection 1.3.2. a simple problem has been solved, presenting a detailed
stepwise simulation procedure in Aspen Plus. In addition, three more problems have
also been discussed with their solution approaches subsequently.
13
.
STEPWISE ASPEN PLUS SIMULATION OF FLASH DRUMS
1 3 1 Built-in Flash Drum Models

. .
In the Model Library, there are ive built-in separators. A brief description of these
models is given below.
Flash 2: It is used for equilibrium calculations of two-phase (vapour-liquid) and three-
phase (vapour-liquid-liquid) systems. In addition to inlet stream(s), this separator can
include three product streams: one liquid stream, one vapour stream and an optional
water decant stream. It can be used to model evaporators, lash chambers and other
single-stage separation columns.
Flash 3: It is used for equilibrium calculations of a three-phase (vapour-liquid-liquid)
system. This separator can handle maximum three outlet streams: two liquid streams
and one vapour stream. It can be used to model single-stage separation columns.
Decanter: It is typically used for liquid-liquid distribution coeicient calculations of a
two-phase (liquid-liquid) system. This separator includes two outlet liquid streams along
with inlet stream(s). It can be used as the separation columns. If there is any tendency
of vapour formation with two liquid phases, it is recommended to use Flash3 instead of
Decanter.
Sep 1: It is a multi-outlet component separator since two or more outlet streams can
be produced rom this process unit. It can be used as the component separation columns.
Sep 2: It is a two-outlet component separator since two outlet streams can be
withdrawn from this process unit. It is also used as the component separation columns.
At this point it is important to mention that for additional information regarding a
built-in model, select that model icon in the Model Library toolbar and then press Fl
on the keyboard.
132 . .
Simulation of a Flash Drum
Problem statement
f
A 100 kmol/hr feed consisting of 10, 20, 30, and 40 mole% of propane, c-butane,
n-pentane and n-hexane, respectively, enters a lash chamber at 15 psia and 50oF.
,
The lash drum (Flash2) is shown in Figure 1.4 and it operates at 100 psia and 200oF.
Applying the SYSOP0 property method, compute the composition of the exit streams.
3 -
FLASH
FIGURE 1.4 A lowsheet of a lash drum.
Simulation approach
From the desktop, select Start button followed by Programs, AspenTech, Aspen
Engineering Suite, Aspen Plus Version and Aspen Plus User Interface. Then choose
Template option in the Aspen Plus Startup dialog (Figure 1.5).
I 1- l-MHM*
FIGURE 1.5
As the next window appears ater hitting OK in the above screen, select General
with English Units (Figure 1.6).
INTRODUCTION AND STEPVV1SE ASPEN PLUSIM SIMULATION 9
-Hi 1
1 #
;1
L -
'
. I
i.-
I i -
FIGURE 1.6
Then click OK. Again, hit OK when the Aspen Plus engine window pops up and
subsequently, proceed to create the lowsheet.
Creating flowsheet
Select the Separators tab from the Model Library toolbar. As discussed earlier, there
are ive built-in models. Among them, select Flash2 and place this model in the window.
Now the Process Flowsheet Window includes the lash drum as shown in Figure 1.7. By
default, the separator is named as Bl.
'
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-
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3
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0 9 «=>. 8 - C . 1
FIGURE 1.7
Copyrlghled
10 PROCESS SIMULATION AND CONTROL USING ASPEN1
To add the input and output streams with the block, click on Streams section (lower
let-hand comer). There are three diferent stream categories (Mateial, Heat and Work),
as shown in Figure 1.8.
O,
, l , 1 Ma I J--
XQ.o Q lr
- -
FIGURE 1.8
Block Bl includes three red arrows and one blue arrow as we approach the block
ater selecting the Material STREAMS icon. Now we need to connect the streams with
the lash chamber using red arrows and the blue arrow is optional. The connection
procedure is presented in Figure 1.9.
-
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rmfT -1 "| LV I .(Bit
-
( - 11 iwl
rt
-
- - I
. III MM .- . I -.
FIGURE 1.9
Copyighled maeial
INTRODUCTION AND STFPWISK ASPEN PLUS SIMULATION 11
Clicking on Material STREAMS, move the mouse pointer over the red arrow at the
inlet of the lash chamber. Click once when the arrow is highlighted and move the
cursor so that the stream is in the position we want. Then click once more. We should
see a stream labelled 1 entering the drum as a feed stream. Next, click the red arrow
coming out at the bottom of the unit and drag the stream away and click. This stream
is marked as 2. The same approach has been followed to add the product stream at the
top as Stream 3. Now the lowsheet looks like Figure 1.10. Note that in the present
case, only the red arrows have been utilized.
... ,
a
-
0
.
>
-
Of.
.
<o-e-a.o.ir-
FIGURE 1.10
We can rename the stream(s) and block(s). To do that highlight the object we want
to rename and click the right mouse button. Select Rename Block and then give a new
name, as shown in Figure 1.11 for Block Bl.
a
-
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0 %
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.
a
FIGURE 1.11
Copynghied material
Alternatively, highlight the object, press Ctrl + M on the keyboard, change the
name, and finally hit Enter or OK. Ater renaming Stream 1 to F, Stream 2 to L,
Stream 3 to V and Block Bl to FLASH, the lowsheet inally resembles Figure 1.12.
- -
c-Q-
0
a-=
Si . , S
jjH* - <*- i -ja- -- md.n -fw »
FIGURE 1.12
In order to inspect completeness for the entire process lowsheet, look at the status
indicator. If the message includes Flowsheet Not Complete, click on Material STREAMS.
If any red arrow(s) still exists in the lowsheet window, it indicates that the process is
not precisely connected with the stream(s). Then we need to try again for proper
connection. To ind out why the connectivity is not complete, hit the Next button on the
Data Browser toolbar. However, if we made a mistake and want to remove a stream
(or block) from the lowsheet, highlight it. right click on it. hit Delete Stream (or Delete
Block), and inally click OK.
Anyway, suppose that the lowsheet connectivity is complete. Accordingly, the status
message changes rom Flowsheet Not Complete to Required Input Incomplete.
We have deined the unit operation to be simulated and set up the streams into
and out of the process. Next we need to enter the rest of the information using several
input forms required to complete the simulation. Within Aspen Plus, the easiest way to
ind the next step is to use one of the followings:
1.
click the Next button
2.
ind Next in the Tools menu
3. use shortcut key F4
As a consequence. Figure 1.13 appears.
Copynghied material
INTRODUCTION AND STKPWISK ASPEN PLUS SIMULATION 13
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FIGURE 1.13
Configuing settings
As we click OiC on the message. Aspen Plus opens the Data Browser window containing
the Data Browser menu tree and Setup/Speciications/Global sheet.
Alternatively, clicking on Solver Settings and then choosing Setup /Speciications in
the let pane of the Data Browser window, we can also obtain this screen (Figure 1.14).
- JUS.'
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.
. >i . ->
rr.Fi F
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FIGURE 1.14
14 PROCESS SIMUIvVTION AND CONTROL USING ASPEN
Although optional, it is a good practice to ill up the above form for our project giving
the Title (Flash Calculations) and keeping the other items unchanged (Figure 1.15).
. !
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-
."
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*
-
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FIGURE 1.15
In the next step (Figure 1.16), we may provide the Aspen Plus accounting information
(required at some installations). In this regard, a sample copy is given with the followings:
User name: AKJANA
Account number: 1
Project ID: ANYTHING
Project name: AS YOU WISH
\ r i-i i-f si
.
iO-Oo.Q.I.
m -
FIGURE 1.16
We may wish to have streams results summaized with mole ractions or some other basis
that is not set by default. For this, we can use the Report Options under Setup folder. In the
subsequent step, select Stream sheet and then choose Mole raction basis,
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FIGURE 1.17
As illed out, the form shown in Figure 1.17, inal results related to all inlet and
product streams will be shown additionally in terms of mole raction. Remember that all
values in the inal results sheet should be given in the British unit as chosen it previously.
Specifying components
Clicking on Next button or double-clicking on Components in the column at the let side
and then selecting Speciications, we get the following opening screen (Figure 1.18).
iff i ijLJH .
.
(0-8-o.o.ir.
. * -
FIGURE 1.18
Copynghi
16 PROCESS SIMULATION AND CONTROL USING ASPEN1"
Next, we need to fill up the table as suggested in Figure 1 18. A Component ID is .
essentially an alias for a component It is enough to enter the formulas or names of the .
components as their IDs Based on these component IDs, Aspen Plus fills out the Type .
,
Component name and Formula columns But sometimes Aspen Plus does not find an .
exact match in its library. Like in the present simulation, we have the following screen ,
(Figure 1.19) after inserting chemical formulas of the components in the Component ID
column.
3513
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FIGURE 1.19
Obviously, only for Component ID C3H8, Aspen Plus provided the Component name
(PROPANE) and Formula (C3H8). This simulator does not recognize the other three
components by their IDs. Therefore, we have to search in the following way
(Figure 1.20) to obtain their names and formulas. Click on a component ID (say, N-C4H10),
then hit Find button.
Now, we have to give a hint with Component name or formula (butane) and then
hit Enter or Find now button (Figure 1.21). Apart from component name or formula,
we can also search a component by giving component class or molecular weight (range)
or boiling point (range) or CAS (Chemical Abstracts Service) number. Click on Advanced
button in the following screen to get these options.
INTRODUCTION AND STKPWISE ASPEN PLUS SIMULATION 17
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FIGURE 1.20
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FIGURE 1.21
Aspen Plus suggests a number of possibilities. Among them, select a suitable

component name (N-BUTANE) and then click on Add. Automatically, the Component
name and Formula for Component ID N-C4H10 enter into their respective columns.
For last two components, we follow the same approach. When all the components are
completely defined, the illed component input form looks like Figure 1.22.
- u m m: vr rai-«-l«»|««i|-4| *»-| »"l

,
.) i"! -I vj ttl
"
I r- I " i I I M -leal : ! !
let >.-
Si - ~
j s- I
n tt-
FIGURE 1.22
The Type is a speciication of how Aspen calculates the thermodynamic properties.

For luid processing of organic chemicals, it is usually suitable to use 'Conventional*
option. Notice that if we make a mistake adding a component, right click on the row
and then hit Delete Row or Clear.
Specifying property method

Press Next button or choose Properties I Specifications from the Data Browser. Then if
we click on the down arrow under Base method option, a list of choices appears. Set the
SYSOPO' method as shown in Figure 1.23.
A Property method deines the methods and models used to describe pure component
and mixture behaviour. The chemical plant simulation requires property data. A wide
variety of methods are available in Aspen Plus package for computing the properties.
Each Process type has a list of recommended property methods. Therefore, the Process
type narrows down the choices for base property methods. If there is any confusion, we
'
may select All' option as Process type.
Specifying stream information

In the list on the let, double click on Streams folder or simply use Next button. Inside
that folder, there are three subfolders, one for each stream. Click on inlet stream F, and
enter the temperature, pressure, low rate and mole fractions. No need to provide any
data for product streams L and V because those data are asked to compute in the present
problem (see Figure 1.24).
This property method assumes ideal behaviour for vapour as well as liquid phase.
C ll
INTRODUCTION AND STEI'WISK ASPEN PLUS SIMULATION 19
cina
"
Tiers r
3
i
0 samii (Ham
UVUM .
-
par-
-
AFU
r
I t4 -I - I . - |M
Co
f> . FBI
P j mi«D»
-
a-
HO-e-o-i-it. !
FIGURE 1.23
Ha 'ssH I
0]t*lMI _
rmr i~i-..t>-rv
f5~
Im«7V= 31
nns Dt
f, .rilll
, ri.ttn it:
-
'
I JIU-*"- I'M- . *
.1. -.. .11. : ...
ho e czd- @ - it.
FIGURE 1.24
Specifying block information

Hitting Next button or selecting Blocks/FLASH in the column at the let side, we get
the block input form. Ater inserting the operating temperature and pressure, one
obtains Figure 1.25.
20 PROCESS SIMULATION AND CONTROL USING ASPRN
U3SE
Toob Ron Piol Lfciaiy Wmdow Help
~
did -J a M
D - I I 'I -isil I lai alS*l
~
i :r .- u>i"i-
UNIFAC Gioup 3 /Sp«c>rioalion>{ Floih.Ophwn | ErJ

_
) UN1FAC G<oup
.
__
J
Cl 0ot ,
-
_
J A sJyBJ
PMP>SMi
gp-n=-3
-
O K>OE5I<iN
0 tMCPMAL
(#> TXPOftT -
i
O VIE
* .
ilj Advanced
JQ
-
Lifl >=
-
Input
EO varial
IS FLASH
| Be
Conv Op«noj
i EO Conv Option*
O Setup
DMOBasK
49 DMOAdv
Input CompteK
[1 Mbcwt/SpBtsit Sopjuato.. j HmI Exciwigsi t Columni | FtMclnt | Pfonuio Chonoe

:
STREAMS
H 0 - 9 -CD-
'
Fl«h2 FlaihS Deca/Kei Sep 5ep2
FIGURE 1.25
Now the Status message (Required Input Complete) implies that all necessary
information have been inserted adequately. Moreover, all the icons on the left are blue.
It reveals that all the menus are completely filled out. If any menu is still red, carefully
enter the required information to make it blue.
Running the simulation

Click on Next button and get the following screen (see Figure 1 26). To run the .
simulation, press OK on the message. We can also perform the simulation selecting
Run from the Run pulldown menu or using shortcut key F5 .
r Zl I - * I .IPI . I > in rnim

"
Tl SJ b li"" 1 1 ] all*- -l±j cjJ _

Cl ~-T
3
£=1
8 ! 7.1 CarrvOpllam
33 to Conv Option*
.TfUAMt ' FWttJ SgM L -«o>i S p "fJ
FIGURE 1.26
The Control Panel, as shown in Figure 1.27, shows the progress of the simulation.
It presents all warnings, errors, and status messages.
jNIRODUCTlON AND STEPW1SE ASPEN PLUS SIMULATION 4 21
Q rtm eai vw« DM* roota Lih..i..
,
QhrjAj*i j-j an .| ihi .j M
I 1"! _=J -
3?) H -io
r h L_jih
3 I
"
3 r "
3 r
. loch:
Pt.iofva and Po«U<**» Soipti

p" l t*«i * *S'«- f" '.. i ' r..:.
Command Lr» |
AI bkK+» h«v» bean .
STREAMS
0
FU>»K3
6 -ciD
Fl<nH3 D«canl- Sup S»p2
FIGURE 1.27
Viewing results
Hitting ATex button and then clicking OK, the Run Status screen appears if rst (see Figure 1.28).
yil l .i.l.lJIII«.II..IIHIII.I.IMItMIIIIH.HI II.Wl'ltlll.Ml.llltHW
-
I I Fe
f Edt VKm Data Tools Rvxi Mot Lbtoty Window htetp
ItflHI -I v| daHal
-
3 m I _iJ_iMi_L
B Ru-i Slatut 3 sQg r
S i Streams
QU RaMiU Swranarv
-
Run Statu*
Streams
Convergence
Atpen Plui Vetswn prrr

Lite [fLash CALCULATIONS
"
Dale and lime [JUNE 5. 2007 1 23621 Pm

Uminam» [AOMIN IS TRATOB
S*»\D |TEAM_EAT
Machnelypo [WIN32 Hott iCONTROLLAB
Use << and >> robiowie testitt
MBW./Scfcie.. S* . ) H»al E-changst | CcWa | Be«clor. e Chang** i Man« j Sobd. | U>«Mo4* |
(0-9 o 8 .
FIGURE 1.28
From the Data Browser, choose Results Summary /Streams and get the following
1 29).
screen that includes the final results of the given problem (see Figure .
Save the work by choosing File/Save As/...from the menu list on the top.We can
name the i
f le whatever we want. Note that an Aspen Plus Backup f ile (*.bkp) takes
much less space than a normal Aspen Plus Documents if le ( .apw).
1j Fto '. ,-V . - Took Run P
: JSbd JMSj-d HIP jsJ . j . i
I I
» J/l Block*
£1 fo. * r
"
3 5l<»amT»blf[
r rjj 1 - 3
50 0 2000 200 0
i f. nr i ion oo ion on
Vapo* Froc 0016 0 000 1 000

Mote Flow cmot/hi 220 462 1 Tf 971 42 492
Mas* Ftow b/h. 15906 41* 13312.698 2593 716
v. l:...- Flow culler 1039 561 382.439 3008 065
lE.Hh»lpy MMBtu/hi 16 583 1243? 2 236
Mole Flow bmolVIv

C3H8 22 046 9 275 12 771
NC4H10 44092 30124 13 969
66139 56 242 9 896
N.C6H14 eeies 82 329 5856
(V Mixw pMto! SoiMralof* { Heal Enchangon | Column* | Re»cto.. \ P-eume Chongeij \ Mo puMw* | So§*. | Um. Models )
STREAMS
HO 0 cd ' FVwh2
" ""
Flaih3 D>came> 3ep Sep2
t , press Fi
For H*e C.\- .g Pol<tou\Ajper. PK» 11,1 ! NUM i - . .
.. Av,4,>:-
*
Start}} Aspen Pkn - Simulatl_
FIGURE 1.29
If we click on Stream Table button, the results table takes a place in the Process
Flowsheet Window, as shown in Figure 1.30.
Fie Edt View Data f

Tocc Run Ffevaheet Librvy Whdow Help
1 global j |£e.| . I lai

1
F L V
Temptntuit F 50 0 200 0 200.0
Pttiiun r
pi 15 00 100 00 100.00
V*poi Fnc 0 018

.
0 000 1000
HoUFtow r oVhi
f n
c 220462 177 971 42 492
f ftu
c 15906 414 13312 698 2593 716
VokuntFlw 1639 561 382439 3008 065
EnlhJpy MMBtu/hi -
16583 -
12.499 -
2236
Hole Flw
C3H8 22 046 9 275

-
12 771
H-C4H10 44 092 30 124 13569
K-C5H12 66139 56 242 9996
H-C6H14 88 185 82.329 5 856
Mok Trie
C3K8 0 100
.
0053 0 301
HX4HI0 0 200
.
0 169
.
0329
H-C5H12 OJOO 0 316 0233
H-C6H14 0 400 0 463 0 138

.
Mm/Spitlan Sflprntms { Heat Eicchangeit { Cdum | Reactori | PrMtue Chmgeii j Mmpdalai | Soldi j Use. Models j
D-»
<0-8-o
-
C:V.oF<*lefs\A»penMu»n.l
?1 1
FIGURE 1.30
INTRODUCTION AND STKPWISK ASPKN PI.US,M SIMUI.ATION 23
Viewing input summary

To obtain the input information, press Ctrl + Alt + I on the keyboard or select Input
Summary rom the View pulldown menu. The supervisor may ask to include the results,
shown in Figure 1.30, along with the input summary in the inal report on the present
project (see Figure 1.31).
Fl» Ml ft >W He»
linput swimtrf crvaccd bv upen Plus "el. U.l tt tiiMtiS rrf jun a, 2007 ~
; Dlr»ctory CtSproarur 11 TBc\Aspanrai:n\WDrklng Polaei ' j' ivet Plus 11.1 tllnnm*
mMPuis
DPLUS RCSULTS-ON
TITLE 'PlHh Calculations '
IN-UNir» lii.
DEC-STRESS CONVtlt ALl
CCOUNI-tKEO KC0UNT>1 PROJECT-ID»*MtTHING 4

ff>0)6C'OU WISH 0SE('-H**S-"«J/f«'
DGKRIPriON '
General Sl*u1al1e*< w<th English unl s :
F, dsI, Ib/hf, lEf«ol/»». oiu/hr, eift/hr,
Propariy Haihooi wona
eln* M*l» for Incur: NOll
"
i r j - report : '. . Mola *lo»
PUBCII / AQUCOUS / SOLIDS / UtROANIC / t

tOASPENPCO
PROP-IOURCES CUBEll / MJUCOUS / SOCIOl / INC>Ra»"IC
CJm8 C3h8 /
N-camo caxio-z /
N-cenW CtHH-l
"lOWSHEET
bicc> flash ih-e aut-v l
PROPERTIES SY5OP0
SUOSTRCAH -EO TEWB.lo. PBE5-11, »MLE-PLOB-i00. -ktcVr>->

xe-fb»c ana o.i / w
.* kio o.j / n-cihi? o. t / »
N-c6nl4 0.4
- - plash Flash;
kabah rtwp- ao. "sr.-ic-j .
FIGURE 1.31
Creating report file

To create a detailed report of the work we have done, including input summary, stream
information, etc., select Export (Ctrl + E) from the File dropdown menu. Then save the
work as a report ile (e.g. C/Program Files/AspenTech/Working Folders/Aspen Plus
,
Version/ Flash.rep). Subsequently, we may open the saved report ile (Flash.rep) going
through My Computer with using a program, such as the Microsoft Office Word or
WordPad or Notepad. A report ile for the present problem is opened below.
ASPEN PLUS IS A TRADEMARK OF HOTLINE:

ASPEN TECHNOLOGY. INC. U.S.A. 888/996-7001
TEN CANAL PARK EUROPE (32) 2/724-0100
CAMBRIDGE. MASSACHUSETTS 02141
617/949-1000
PLATFORM: WIN32 JUNE 10, 2007

VERSION: 11.1 Build 192 SUNDAY
INSTALLATION: TEAM EAT _
11:23:23 A.M
.
ASPEN PLUS PLAT: WIN32 VER: 11.1 06/10/2007 PAGE I

FLASH CALCULATIONS
ASPEN PLUS (R) IS A PROPRIETARY PRODUCT OF ASPEN TECHNOLOGY, INC.

(ASPENTECH), AND MAY BE USED ONLY UNDER AGREEMENT WITH ASPENTECH.
RESTRICTED RIGHTS LEGEND: USE, REPRODUCTION, OR DISCLOSURE BY THE
U S GOVERNMENT IS SUBJECT TO RESTRICTIONS SET FORTH IN
. .
(i) FAR 52.227-14, Alt. Ill, (ii) FAR 52.227-19, (iii) DEARS
252.227-7013(c)(l)(ii), or (iv) THE ACCOMPANYING LICENSE AGREEMENT,
AS APPLICABLE. FOR PURPOSES OF THE FAR, THIS SOFTWARE SHALL BE DEEMED
TO BE "UNPUBLISHED" AND LICENSED WITH DISCLOSURE PROHIBITIONS.
CONTRACTOR/SUBCONTRACTOR: ASPEN TECHNOLOGY, INC. TEN CANAL PARK,
CAMBRIDGE, MA 02141.
TABLE OF CONTENTS
RUN CONTROL SECTION 1

RUN CONTROL INFORMATION 1
DESCRIPTION 1
FLOWSHEET SECTION 2
FLOWSHEET CONNECTIVITY BY STREAMS 2
FLOWSHEET CONNECTIVITY BY BLOCKS 2
COMPUTATIONAL SEQUENCE 2
OVERALL FLOWSHEET BALANCE 2
PHYSICAL PROPERTIES SECTION 3

COMPONENTS 3
U-O-S BLOCK SECTION 4

BLOCK: FLASH MODEL: FLASH2 4
STREAM SECTION 5
F L V 5
PROBLEM STATUS SECTION 6

BLOCK STATUS 6
ASPEN PLUS PLAT: WIN32 VER: 11.1 06/10/2007 PAGE 1

FLASH CALCULATIONS
RUN CONTROL SECTION
RUN CONTROL INFORMATION
THIS COPY OF ASPEN PLUS LICENSED TO
TYPE OF RUN: NEW
INPUT FILE NAME: _

1437xbh.inm
OUTPUT PROBLEM DATA FILE NAME: _

1437xbh VERSION NO. 1
LOCATED IN:
PDF SIZE USED FOR INPUT TRANSLATION:
NUMBER OF FILE RECORDS (PSIZE) = 0
NUMBER OF IN-CORE RECORDS - 256
PSIZE NEEDED FOR SIMULATION - 256
CALLING PROGRAM NAME: apmain

LOCATED IN: C:\PROGRA~ I\ASPENT~-1 \ASPENP~1.1 \Engine\xeq
SIMULATION REQUESTED FOR ENTIRE FLOWSHEET
DESCRIPTION
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

FLASH CALCULATIONS
FLOWSHEET SECTION
FLOWSHEET CONNECTIVITY BY STREAMS
STREAM SOURCE DEST STREAM SOURCE DEST

F FLASH V FLASH
L FLASH
FLOWSHEET CONNECTIVITY BY BLOCKS
BLOCK INLETS OUTLETS

FLASH F V L
COMPUTATIONAL SEQUENCE
SEQUENCE USED WAS:
FLASH
OVERALL FLOWSHEET BALANCE
MASS AND ENERGY BALANCE
IN OUT RELATIVE DIFF.

CONVENTIONAL COMPONENTS (LBMOL/HR)
C3H8 22.0462 22.0462 0 101867E-09
.
N-C4H10 44.0925 44.0925 0 326964E-10

.
N-C5H12 66.1387 66.1387 -

0 113614E-10
.
N-C6H14 88.1849 88.1849 -

0 332941E-10
.
TOTAL BALANCE
MOLE( LBMOL/HR) 220.462 220.462 0.000000E+00
MASS(LB/HR) 15906.4 15906.4 -0.782159E-11
ENTHALPY(BTU/HR) -0.165833E+08 -0.147349E+08-0.111463

FLASH CALCULATIONS
PHYSICAL PROPERTIES SECTION
COMPONENTS
ID TYPE FORMULA NAME OR ALIAS REPORT NAME

C3H8 C C3H8 C3H8 C3H8
N-C4H10 C C4H10-1 C4H10-1 N-C4H10
N-C5H12 C C5H12-1 C5H12-1 N-C5H12
N-C6H14 C C6H14-1 C6H14-1 N-C6H14

FLASH CALCULATIONS
U-O-S BLOCK SECTION
BLOCK: FLASH MODEL: FLASH2

INLET STREAM: F
OUTLET VAPOR STREAM: V
OUTLET LIQUID STREAM: L
PROPERTY OPTION SET: SYSOP0 IDEAL LIQUID / IDEAL GAS
***
MASS AND ENERGY BALANCE ***

TOTAL BALANCE
MOLE(LBMOL/HR) 220.462 220.462 0 000000E+00
.
MASS(LB/HR) 15906.4 15906.4 -

0 782136E-11
.
ENTHALPY(BTU/HR) -0.165833E+08 -0.147349E+08 -0.111463
INPUT DATA
TWO PHASE TP FLASH

SPECIFIED TEMPERATURE F 200.000
SPECIFIED PRESSURE PSI 100.000
MAXIMUM NO. ITERATIONS 30
CONVERGENCE TOLERANCE 0 000100000
.
***
RESULTS ***
OUTLET TEMPERATURE F 200.00

OUTLET PRESSURE PSI 100.00

HEAT DUTY BTU/HR 0 18484E+07
.
VAPOR FRACTION 0 19274

.
V-L PHASE EQUILIBRIUM:
COMP F{I) X(I) Yd) K(I)

C3H8 0 10000
.
0 52117E-01
.
0 30055
.
5 7668
.
N-C4H10 0 20000
.
0 16926
.
0 32874
.
1 9422
.
N-C5H12 0 30000
.
0 31602
.
0 23290
.
0 73697
.
N-C6H14 0 40000
.
0 46260
.
0 13781
.
0 29790
.

FLASH CALCULATIONS
STREAM SECTION
F L V
STREAM ID L V
FROM : FLASH FLASH
TO FLASH
SUBSTREAM: MIXED
PHASE: MIXED LIQUID VAPOR
COMPONENTS: LBMOL/HR
C3H8 22.0462 9 2754
.
12.7709
N-C4H10 44 0925
.
30.1237 13.9688
N-C5H12 66 1387
.
56.2424 9 8963
.
N-C6H14 88 1849
.
82.3291 5 8558
.
COMPONENTS: MOLE FRAC

C3H8 0.1000 5 2117-02
.
0 3005
.
N-C4H10 0 2000
.
0 1693
.
0 3287
.
N-C5H12 0 3000
.
0 3160
.
0 2329
.
N-C6H14 0 4000
.
0 4626
.
0 1378
.
TOTAL FLOW:
LBMOL/HR 220.4623 177.9706 42.4917
LB/HR 1.5906+04 1 3313+04
. 2593.7158
CUFT/HR 1839.5613 382.4385 3008.0650
STATE VARIABLES:
TEMP F 50.0000 200.0000 200.0000
PRES PSI 15.0000 100.0000 100.0000
VFRAC 1.8002-02 0 0 .
1 0000
.
LFRAC 0.9820 1 0000

.
0 0
.
S FRAC 0.0 00 .
0 0
.
ENTHALPY:
BTU/LBMOL -7.5221+04 -7.0232+04 -5.2612+04
BTU/LB -1042.5543 -938.9019 -861.9118
BTU/HR -1.6583+07 -1.2499+07 -2.2356+06
ENTROPY:
BTU/LBMOL-R -130.1235 -123.3349 -87.8846
1 4398
BTU/LB-R -1.8035 -1.6488 -
DENSITY:
LBMOL/CUFT 0.1198 0.4654 1.4126 02 -
LB/CUFT 8.6469 34.8100 0.8623

AVG MW 72.1503 74.8028 61.0406

FLASH CALCULATIONS
PROBLEM STATUS SECTION
BLOCK STATUS
**************
********************************************************
* *
*
Calculations were completed normally *
* *
*
All Unit Operation blocks were completed normally *
* *
*
All streams were l
f ashed normally *
* *
************************************************************************:!:;!=
13
.
3
.
Computation of Bubble Point Temperature
Problem statement
Compute the bubble point temperature at 18 bar of the following hydrocarbon mixture
(see Table 1.1) using the RK-Soave property method.
TABLE 1.1
Component Mole fraction

Ci 0 05
.
c2 0 1
.
C3 0 15
.
i-Ci 0 1
.
n-Ci 02
.
i-C5 0 25
.
n-C5 0 15
.
Assume the mixture inlet temperature of 250C, pressure of 5 bar and flow rate of
120 kmol/hr.
S,MULA' noN 29
Simulation approach
After starting the Aspen Plus simulator, the Aspen Plus Stnrt v i
Among the three choices, select Template option and then S
,.,
e F Tl 3
L L J.-i..'i- I iM BlMtt i ~| S!| -j j jj g j
t ,J;'&9'lr.lrtoi\Ait«r.leI:MV l,1gffj ,Asinwi

f .,..- "" TTrTtrtilVfnt.i0ritliiiV>iWnrfca 11
Ptt
C 'Pi09'*T>F'f'''-!CW"lecl-AW1>t»>jFc«eii'A Mr!t
: r ,: n
H !i j
FIGURE 1.32
When the next window pops up (see Figure 1.33) ,

select General with Metric Units
and then hit OK.
3 -II ...d..ji:;L: i 1 1 raliH
FIGURE 1.33
In the next ,
press OK in the Connect to Engine dialog. Once Aspen Plus connects to
the simulation engine, we are ready to begin entering the process system.
Creating flowsheet
Using the Flash2 separator available in the equipment Model Library, develop the
f ow diagram (see Figure 1.34) in the Flowsheet Window by connecting
following process l
the input and output streams with the lf ash drum. Recall that red arrows are required
ports and blue arrows are optional ports. To continue the simulation, we need to click
either on Next button or Solver Settings as discussed earlier. Note that whenever we
have doubts on what to do next, the simplest way is to click the Next button.
rjafn ..|-|..|. {k jl .15)1 I gl *w
0
o
mm 1
o-e-oi-ir-
_
2£
£S-| »... >
FIGURE 1.34
Configuring settings
From the Data Browser, choose Setup I Specifications. The Title of the present problem
is given as 'Bubble Point Calculations'. Other items in the following sheet remain
untouched (see Figure 1.35). However, we can also change those items (e.g., Units of
measurement. Input mode, etc).
3 -.1 ,b. i -. m -\u

-
gag i 3 abi 3 »l alai

-
ij
, u m
it »
« "'E E3
FIGURE 1.35
INTKODUCTION AND STHPWISE ASFKN PLUSIM SIMULVTION 31
In the next, the Aspen Plus accounting information are given (see Figure 1.36).
_
rt* tm ttw imt 'i** Hot its* .
.
igi«]
P|a»IBI -I -I rW ralt-Htl l-al l 3J . I I"! J?J 21 j J Si
-
i .
-
r i h.i> rsr I _ti>|g| - I ' m
t.-'l(.
.
I i Us*-**,
11 -
-
< O Q <=>. @ . 4 .
KM a IV- II I MM »»»»» !r.i-».
i
FIGURE 1.36
*
Click on TVex button or choose Components /Specifications in the list on the let. Then
deine all components and obtain the following window (see Figure 1.37).
rc r« mm Ma took " pw ia»»v »w««c- t««.
PisgLBJ ~
.1.1 H»l SI aKicKl-ai i H II JhJ ! jcj m
_
1 J
-
I-I"I> i j . i i xapji i iw 'H
tgj <«irM »i cuai n.i
/ -. ii.- MMM
9 BmiMM VMM
'
r -
.
L
-
. 11 d i it .jf
I
'
X . 4 i
.. .
l.w..-->., s-m
1
l
H 0 8 cd. g - f .
[ li itin ci «ri<«i im-i n I >o< >....-_i- ... i
FIGURE 1.37
Copyrlqhted material

Hit Next button or select Properties / Speciications in the column at the let side. In
Property method, scroll down to get RK-Soave. This equation of state model is chosen
for thermodynamic property predictions for the hydrocarbon mixture (see Figure 1.38).
.
=1 3 JLi Si Mi bl
-
8
i 3;
F-3
. Q-S-o-'g-'ii
D
FIGURE 1.38
Hitting ATex/ button twice, we have the following picture (see Figure 1.39). The binary
parameters are tabulated below. When we close this window or cbck OK on the message.
it implies that we approve the parameter values. However, we have the opportunity to
edit or enter the parameter values in the table. In blank spaces of the table, zeros are
there. It does not reveal that the ideal mixture assumption is used because many
thermodynamic models predict non-ideal behaviour with parameter values of zero.
T£msxS\zi zl 2 '-I H 21 61
3 .ifLdB&eMMI)
n
m
TTD
-3
=w
:
3
MIX
« MM I *
FIGURE 1.39
INTRODUCTION AND STEPWISR ASI-KNJ>LU
sim 33
Click OK. Alternatively, use the Data Browser menu tree to navigate to the Streams/1/
Input/Speciications sheet. Then insert all specifications for Stream 1 as shown in Figure 1 40
J &1
J . 1 1,, I*
~
n 1 1 i 1 igi
la El »l aUl
JO
tcxnpojitior.
3 71 n
pr
(5
1 ftdvaoced
rr s;; -
J
~
r i Rpioftt
& Setup
Q| OMOAdv s,. p-It ,111,. . l-v ...:...>, --r.-nlV-- H-lp

'
L55s?P Bos-:
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Matenal
STREAMS Flash2 Fla h3 Dncanie. Sep 5ep2
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J Start j j A»pen plu, - Skmdab- Aspen Phjj Smxjlatton 2. . j
FIGURE 1.40

Hit Afot
r or select Blocks/BUBBLE from the Data Browser. After getting the blank input
form, enter the required inputs (Pressure = 18 bar and Vapour fraction = 0) for block
BUBBLE (see Figure 1.41).
-
al>l
3 *i I *! «iEi
"
si - r
/Speatifotnni FlathOcdoni ' Er**rrr«nl
i Pr<*8rUw
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-
1
.
_
)
9 ***
-
a-»
STREAMS
0 0 Qfl
Ri ? fWJ Ete i S<c S Bi
FIGURE 1.41
Press Next button and then hit OK to run the simulation The following Control Panel .
demonstrates the status of our simulation work (see Figure 1 42). .
laillUJLIIIlllBIl
i f** t-t Vwi- Data Toofi Bun Lfciafy WVidwv/ Meto
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Command Lr* f
| Sepaislota | Heat ExchM oeic [ Cohjnmi | Rrac'txt | Prectuie Changed SoMt j Uiei Model: |
STREAMS
'
o o
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e - it -
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r «* (W Oi/fc &<$ 7:52 P

'
FIGURE 1.42
Viewing results
Clearly, Figure 1.42 includes the Status message: Results Available. As the simulation
calculations completed, click on Solver Settings and then double-chck on Blocks to obtain
the following screen (see Figure 1.43).
-
-
| ne c >' v«v. 0*a Toob Ain PM Lferarv Wmdcw t

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FIGURE 1.43
f
INTKODUCTION AND STKPWISK ASI'KN PLUS SIMULATION 35
Choosing Blocks/BUBBLE/Results in the column at the left side, we get the

following results summary for the present problem (see Figure 1.44).
JaflHI Ml *1
mi
WMllwilc ii»»i»y
NM1 »»»
IB 3(v«««iP»*Jl
ra f O Cor- OBban*
V
O 1
tmt
| SOU. | UnMaM |
.
j 0 - 6 -o- f. r.
111,1 ' MM *r
FIGURE 1.44
From the results sheet, we obtain the bubble point temperature = 42.75411960C.
13
. 4
. Computation of Dew Point Temperature
Problem statement
Compute the dew point temperature at 1.5 bar of the hydrocarbon mixture, shown in
Table 1.2, using the RK-Soavc property method.
TABLE 1.2

Ci 0 05
.
C2 0 1
.
Ca 0 15
.
<-c4 0 1
.
n-CA 0 2
.
M3a 0 25
.
" (>
-
,
0 15
.
Assume the mixture inlet temperature of 250C, pressure of 5 bar and low rate of
120 kmol/hr.
Simulation approach
As we start Aspen Plus r
f om the Start menu or by double-clicking the Aspen Plus icon on
our desktop theAspe?i Plus Startup dialog appears (see Figure 1.45). Select Template option
,
.
Id *J 1PJ M _j.
l LJ...l-:i.::.l JAI
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-
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-
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t i'/Jiipen Plus 11
C ogfam F,lt; Vi.ipenTBeh\W0il<ing Folded r\A;i>-n Plo: 11
For Help, prws Fl
ft? Stat
r ]j £
FIGURE 1.45
As Aspen Plus presents the window after clicking OK as shown Figure 1.45, choose
General with Metric Units. Then press OK (see Figure 1.46).
MB
i i i
Peisonalj Bsfmeiy Stmolahons

Ail SefWabon wth Engt:h Umt: K <, PetuJeuin >«ihEris(
..
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H>«*oii«talurQi' wuf. Engii:*i Urn

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ggMydrometaOuTK. wJh Mel
-
., .-
_
Flowsheei
Daneel
For M*, pre»» PI
Start j Aip PV«
FIGURE 1.46
f
Subsequently, dick OK when the Aspen Plus engine window pops up.
Creating flowsheet
In the next, we obtain a blank Process Flowsheet Window. Then we start to develop
the process lowsheet by adding the Flash2 separator from the Model Library
toolbar and joining the inlet and product streams by the help of Material STREAMS
(Figure 1.47).
gjfc i« Dm > Ha-w- Ica* . .ifi J
-
H c-
0 St*
CD
-
c
± if
ittLWfS n>rJ f* i c-*. -3 s«.-
mt| » -i>w. |>-icj- i.«anwr|| - # i
FIGURE 1.47
Now the process low diagram is complete. The Status bar in the bottom right of
the above window (see Figure 1.47) reveals Required Input Incomplete indicating that
input data are required to continue the simulation.
Configuing settings
Hitting Next button and then clicking OK, we get the setup input form. The present
'
problem is titled as Dew Point Calculations' (see Figure 1.48).
In Figure 1.49, the Aspen Plus accounting information are provided.
Here we have to enter all the components we are using in the simulation. In the list on
the let, choose Components /Specifications and ill up the table following the procedure
explained earlier (see Figure 1.50).
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STREAMS S
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f
FIGURE 1.48
Mi
Fie E* View Data Tools Run Plot Lc
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pT MMea/SpiKm SefMHtais | HutEictangen | Cokmu | Reactat | Pteuute Changeu j ManpuWcs | Stfcfc | Us« Modeh
H 0 -0 -0
C < Flash? FImKI DmcmIm
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FIGURE 1.49
t
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.
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t r
-
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-
Q*
.
<o-8o.i.ii:
FIGURE 1.50

From the Data Browser, select Properties /Specifications to obtain a blank property input
form. From the Property method pulldown menu, select RK-Soave (see Figure 1.51).
! Ut Wfw CMC* loak Hut fw tArarr wMsb* m»*.
a-i iM-ai f j t) -I |h| -j
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=1
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4 'P- .
» Mart!: A-a.-r* J 13 tiB AH
FIGURE 1.51

In the column at the left side choose Streams/1. As a result, a stream input form opens ,
Entering all required information one obtains the screen as shown in Figure 1.52 , .
D1<|H| SIS Mi Iik£l*J*l<Jij Sd 2J j-LiiLl ±1 3 .

_
L r
_
-
If Pi
- j i ! jjbl bj
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-
WO[>l ili
<:< 'i
ptseu i t«um [Met. »]:
fin f hr*"" .] ik
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. its til
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a .
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-
jO 8 0-8 C
* «-«| I AvenPfcn-SknuotL-
FIGURE 1.52

f , double-click
The final area that requires input is the Blocks tab. In the list on the let
t
on Blocks and then select DEW. Filling up the input form, we have Figure 1.53.
too** Otn Wo» Library wmdcwi
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3
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3 FlMhOpooru I Em
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STREAMS
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FIGURE 1.53
INTRODUCTION AND STEPWISK ASPEN PLUS 3!MUU\TION 41

Running the simulation, the following progress report is obtained (see Figure 1.54).
-
j r-H'-hrr
- II . t .! -1031 I - ! !
HI 3
3 ,
mi r . .1:
' !« I MM WWII | CMm I l-MI I *-- II in I - I I M*i I IM MB

-
IIKMM
D -
o-e-oi-it-
-I*. MM'I (Will
FIGURE 1.54
Viewing results
First click on Solver Settings. From the Data Browser, choose Blocks/DEW/Results
(see Figure 1.55) to get the dew point temperature = 22.19453840C.
i' r ui>.i.rf
-
i* I- *
.MM
-
I
a -.
MM*
MM*
JVM -
hum
.
(O-e-o-i-it-
1 im*f n u t- w ' i
FIGURE 1.55
13
. .
5 T-xy and P-xy Diagrams of a Binary Mixture
Problem statement
A binary mixture consisting of 60 mole% ethanol and 40 mole% water, is introduced

,
into a l
f ash chamber (Flash2) with a flow rate of 120 kmol/hr at 3 bar and 250C .
(a) Produce T-xy plot at a constant pressure (1.013 bar)

(b) Produce xy plot based on the data obtained in part (a)
(c) Produce P-xy plot at a constant temperature (90oC)
Use the Wilson activity coefficient model as a property method.
Simulation approach
As usual, start Aspen Plus and select Template. Click OK to get the next screen and
choose General with Metric Units. Then again hit OK. In the subsequent step, click OK
in the Connect to Engine window to obtain a blank Process Flowsheet Window.
Creating flowsheet
From the equipment Model Library at the bottom of the Aspen Plus process flowsheet
window, select the Separators tab and insert the Flash2 separator. Then connect the
separation unit with the incoming and outgoing streams. The complete process is shown
in Figure 1.56.
CD o
0
-
o
STfSAMS
9-o
FIGURE 1.56
Configui
r ng settings
At
f er clicking on Solver Settings, select Setup /Specifications in the list on the left. The
Title of the present problem is given as TXY and PXY Diagrams'. Subsequently, the
'
Aspen Plus accounting information are also provided [see Figures 1.57(a) and (b)].
INTKOIHTTION AND STKI'WISK ASl'liN I'l.l'S ' SIMULATION 43
S!ll>l*l<H !i 3 -i l-l.TJ S -I 1U
-
r 1 1 i .1 ..b; : . IP «|J»I
-
'-
: 5! r-
CO . j .
FIGURE 1.57(a)
213
I -IE' - ;« 1
1
gjg j i 3 <iF-i] >>j aal -I
?3
3 <o'»-
-
CH
oeo.@.
«t Mi(.i,tra5»«-i
FIGURE 1.57(b)
Hitting Next button and deining the components (ethanol and water) in the input
form, one obtains Figure 1.58.

The user input under the Properties tab is probably the most critical input required to
run a successful simulation. Clicking Next button we obtain the property input form.
,
For this problem, choose the Wilson model by scrolling down (see Figure 1.59).
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-
iL !
r j .Lj.inr
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- - , _
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Matewl
STREAMS 1 flwW Sep
For Heb, piKsFI NUM P HPClroxlrvm- -f
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FIGURE 1.58
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_
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P ss-jdoeoinporients
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.
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J Molecular Structure
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33 Prop-Set)
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Input Complete
i
f t' MMKt/5p(tl«M S«pai«foi> j Heat Exchange" | Cokjmnl | Reactors | Piohuio Chonoelj i ManipuWoit | SoWi | LUei Model: |
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.
-
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_
FIGURE 1.59
Once the base property method has been selected and we click the Next button, a
window pops up asking whether to continue to the next step or to modify the properties
(see Figure 1.60).
INTRODUCTION AND STEPWiSK ASPEN PLUS SIMULATION 45
Required Properties Input Complete i

Go to the Next requiied step, or supply
additional properties information,
Go to Next required input step

'
Modify required property specifications
E nter property parameters
Enter raw properly data
OK Cancel
FIGURE 1.60

The next window includes a stream input form. Specifying temperature, pressure, low
rate and components mole fraction, one obtains Figure 1.61 as shown.
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J6
I -
.
- --r- :
it
3
m
If -
."HI
ft -nvm i iia"
m m» wa«
nr
t
-
a -
o-e-o-i-ir-
FIGURE 1.61
(a) Creating T-xy plot: Selecting ToolslAnalysis I Property I Binary, we have

Figure 1.62.
Copyrighled maerial
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ni lMl -I U ini »ff)
j . i I 'I -IflPJ J - Jill mm
ffTIwioL
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nr
P jT H il 3 s*»h
FIGURE 1.62
We must note that this option can be used to generate T-xy, P-xy or Gibbs energy of
'
mixing diagrams. Select Txy for the present problem. We aim to do an analysis on the
mixture of ethanol and water; so select these components accordingly. The user has the
'
option of specifying, which component will be used for the x-axis (which component s
mole r
f action will be diagrammed). The default is whichever component is indicated as
component 1. Make sure that we are creating the diagram for the mole r
f action of ethanol.
Entering required information Figure 1.62 takes the following form (see Figure 1.63).
,
O lot* Pun lAf»y Wnion t

r eto
rsKlel i Kl tj ! |n| jl! M

.-
IJ l-M- r» 3
"
[WATER
His-1
lUj- "> ru.,

jEIKWDL
|l
MM >>«».l Vox x.- o

t ..
FIGURE 1.63
Click on Go and get the T-xy plot at a constant pressure (1 013 . bar) as shown in
Figure 1.64. Although the Status bar shows Required Input Incomplete ,
but there is no
problem to get the plot based on the given information.
INTRODUCTION AND STEPWISE ASPEN PLUS1 M SIMUL.\TION 47
OlflBI lai Mel »l r3ii-|*i*i<H»!l 2 5J Ji) M

i r-i-i-i>nr I -"IBI I' g 21!!
FIGURE 1.64
It should be noted that if we move the T-xy plot slightly or close it, we ind
Figure 1.65 having a databank. Some of these values have been used to make the
plot (Figure 1.64).
n3K|c!»|-qM!!H 3i
-
i i i .i .m- i m\
Mil* I MMI
rwrrc
Wtfm
: : -
<o e-o-e-a;
«Mp»iM.i lM«4Ml-
FIGURE 1.65
ru tut M* I** BiW H>«>> Vrt Ji-
.
r
"
:;
- - i Mf n: j i i 'i mo; i i"i SM
. .
' ri«h2 fLwM C'mjtj- 'if

'
REAMS
j tRLAMb
f-
FIGURE 1.62
We must note that this option can be used to generate T-xy, P-xy or Gibbs energy of
mixing diagrams. Select Txy' for the present problem. We aim to do an analysis on the
'
mixture of ethanol and water; so select these components accordingly. The user has the
'
option of specifying, which component will be used for the x-axis (which component s
mole fraction will be diagrammed). The default is whichever component is indicated as
component 1. Make sure that we are creating the diagram for the mole fraction of ethanol.
Entering required information. Figure 1.62 takes the following form (see Figure 1.63).
M il SI M SI
2 |W*TER 3
fETHANOL
3
(\oflm<y cmms
-
o-
FIGURE 1.63
Click on Go and get the T-xy plot at a constant pressure (1 013 . bar) as shown in
Figure 1.64. Although the Status bar shows Required Input Incomplete ,
but there is no
problem to get the plot based on the given information.
r
Clicking on Go button, we have the following P-xy plot |see Figure 1.68(a)|
at a constant temperature (90oC) and respective databank produced (Figure 1.68(b)|.
I I- I-I.-IkU-
L *
-
i
1 1 1 DM
- .
...
.
11
.
FIGURE 1.68(a)
3/11 '' IBi.-l ' I
uoitnuc I0IH I0T* I0T« UOUO UOUD UOUO

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IIMM01 - TF- walla
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-
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B I
...
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ams IWB T7ZB5 ITFii
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S an nnss SWHHT"-- nan
moo n
B [B TIPl fSiiTE IifiBT
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« nw na! 61 1
HD-*
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Ikvil .H«i) Ohm Sh> !»!
IU MM
FIGURE 1.68(b)
Copyrighled material
Notice that the plot window can be edited by right clicking on that window and
selecting Properties In the properties window, the user can modify the title axis scale
.
,
,
font colour of the plot, etc. Alternatively, double-click on the different elements of the
,
plot and modify them as we like to improve the presentation and clarity .
SUMMARY AND CONCLUSIONS
In this chapter a brief introduction of the Aspen simulator is presented i

, f rst. It is well
recognized that the Aspen software is an extremely powerful simulation tool in which , ,
a large number of parameter values are stored in the databank and the calculations are
pre-programmed. At the preliminary stage of this software course, this chapter may
help to accustom with several items and stepwise simulation procedures. Here four ,
simple problems (flash calculation, bubble point calculation, dew point calculation and
T-xy as well as P-xy plot generation) have been solved showing all simulation steps .
PROBLEMS |
1 . 1 A liquid mixture, consisting of 60 mole% benzene and 40 mole% toluene, is fed
f ow rate of 100 kmol/hr at 3 bar and 250C to a l
with a l f ash chamber (Flash2)
operated at 1.2 atm and 100oC Applying the SYSOP0 method, compute the
.
amounts of liquid and vapour products and their compositions.

1 2 A liquid mixture, consisting of 60 mole% benzene, 30 mole% toluene and
.
10 mole% o-xylene, is l
f ashed at 1 atm and 110oC. The feed mixture with a l
f ow
rate of 100 kmol/hr enters the l
f ash drum (Flash2) at 1 atm and 80oC Using the .
SYSOP0 property method,

(a) Compute the amounts of liquid and vapour outlets and their compositions
(b) Repeat the calculation at 1.5 atm and 120oC (operating conditions)
1
. 3 A hydrocarbon mixture with the composition, shown in Table 1.3, is fed to a
flash drum at 50oF and 20 psia.
TABLE 1.3
Component Flow rate (lb moiyhr)
i-C4 12
n -C4(LK) 448
i-C 5(HK) 36
Ce 23
C7 39.1
272.2
c9 31
876.3
The flash chamber (Flash2) operates at 180oF and 80 psia. Applying the SYSOP0
thermodynamic model, determine the amounts of liquid and vapour products
and their compositions.
INTRODUCTION AND STEPWISK ASPEN PLUS SIMULATION 51
1 . 4 Find the bubble point and dew point temperatures of a mixture of 0.4 mole fraction
toluene and 0.6 mole fraction rso-butanol at 101.3 kPa. Assume ideal mixture
and inlet temperature of 50oC, pressure of 1.5 atm, and low rate of 100 kmol/hr.
1 5 Find the bubble point and dew point temperatures and corresponding vapour
.
and liquid compositions for a mixture of 33 mole% n-hexane, 33 mole% n-heptane

and 34 mole% n-octane at 1 atm pressure. The feed mixture with a low rate of
100 kmol/hr enters at 50oC and 1 atm. Consider ideality in both liquid and vapour
phases.
1 6 Compute the bubble point and dew point temperatures of a solution of
.
hydrocarbons with the following composition at 345 kN/m2(see Table 1.4).

TABLE 1.4

c3 0 05
.
n-C4 0 25
.
n-C5 04
.
Ce 03
.
The ideal solution with a low rate of 100 kmol/hr enters at 50oC and 1 atm.
1 . 7 Calculate the bubble point pressure at 40oC of the following hydrocarbon stream
(see Table 1.5).
TABLE 1.6

c, 0 05 .
c2 0 1 .
Ca 0 15 .
i-C4 0 1 .
n-C4 02 .
i-Cs 0 15 .
n-C5 0 15 .
c6 0 1 .
Use the SRK thermodynamic model and consider the inlet temperature of 30oC,
pressure of 4.5 bar and low rate of 100 kmol/hr.
1 8 A binary mixture, consisting of 50 mole% ethanol and 50 mole% 1-propanol, is
.
fed to a lash drum (Flash2) with a low rate of 120 kmol/hr at 3.5 bar and 30oC.
(a) Produce T-xy plot at a constant pressure (1.013 bar)

(b) Produce P-xy plot at a constant temperature (750C)
(c) Produce xy plot based on the data obtained in part (b)
Consider the RK-Soave thermodynamic model as a base property method.
1.
9 A ternary mixture with the following component-wise low rates is introduced
into a decanter model run at 341.1 K and 308.9 kPa. To identify the second
liquid phase, select n-pentane as a key component (see Table 1.6).
TABLE 1.6
Component Flow rate (kmol/hr)

n -pentane 10
ethanol 3
water 75 .
Applying the NRTL property method simulate the decanter block to compute
,
the flow rates of two product streams .
1 10 A ternary mixture having the following flow rates is fed to a separator (Sep2) at
.
50oC and 5 bar (see Table 1.7).
TABLE 1.7
n -pentane 33.623
ethanol 0 476
.
water 3 705
.
To solve the present problem using Aspen Plus, the following specifications are
provided along with a T/F ratio of 0.905478 (see Table 1.8 and Figure 1.69).
TABLE 1.8
Component Split fraction in stream T

n -pentane 0 999.
ethanol 09 .
water (calculated by Aspen)
B -O
FIGURE 1.69 A flowsheet of a separator.
Applying the SRK property method, simulate the flowsheet, shown in Figure 1.69,
and determine the product compositions.
1 . 11 Repeat the above problem with replacing the separator Sep2 by Sep and using
split fraction of water 0.4 in Stream T.
1 12 A dryer, as specified in Figure 1.70, operates at 200oF and 1 atm. Apply the
.
SOLIDS base property method and simulate the dryer model (Flash2) to compute
the recovery of water in the top product.
INTRODUCTION AND STKPWISE ASPEN PLUS SIMULATION 53
Wet
Temperature = 75DC
Pressure = 1 aim AiROur;
Flow rates
S(02 = 800 Ib/hr
H20 = 5 Ib/hr WET
Air
Temperature = 200oC
AIR
0
Pressure = 1 atm
Flow rates = 50 Ibmol/hr

dry; O
N2 = 80 mole% DRYER
O, b 20 mole%
FIGURE 1.70 A lowsheet of a dryer
REFERENCE
AspenTech Official Site, When was the Company Founded?, http://www.aspentech.com/

corporate/careers/faqs.cfm#whenAT.
C H A PT E R 2
Aspen Plus Simulation
of Reactor Models
2 1
.
BUILT-IN REACTOR MODELS
In the Aspen Plus model library, seven built-in reactor models are available. They
are RStoic, RYield, REquil, RGibbs, RCSTR, RPlug and RBatch. The stoichiometric
reactor, RStoic, is used when the stoichiometry is known but the reaction kinetics is
either unknown or unimportant. The yield reactor, RYield, is employed in those cases
where both the reactions-kinetics and stoichiometry-are unknown but the product
yields Eire known to us. For single-phase chemical equilibrium or simultaneous phase
and chemical equilibrium calculations, we choose either REquil or RGibbs. REquil model
solves stoichiometric chemical and phase equilibrium equations. On the other hand,
RGibbs solves its model by minimizing Gibbs free energy, subject to atom balance
constraints. RCSTR, RPlug and RBatch are rigorous models of continuous stirred tank
reactor (CSTR), plug flow reactor (PER) and batch (or semi-batch) reactor respectively.
,
Eor these three reactor models, kinetics is known. RPlug and RBatch handle rate-
based kinetic reactions, whereas RCSTR simultaneously handles equilibrium and rate-
based reactions. It should be noted that the rigorous models in Aspen Plus can use
built-in Power law or Langmuir-Hinshelwood-Hougen-Watson (LHHW) or user defined
f ne the reaction kinetics in Fortran subroutine or in excel
kinetics. The user can dei
worksheet.
One of the most important things to remember when using a computer simulation
program, in any application, is that incorrect input data or programming can lead to
solutions that are correct based on the program's specifications but unrealistic with
" "
regard to real-life applications. For this reason, a good knowledge is must on the reaction
engineering. In the following, we will simulate several reactor models using the Aspen
Plus software package. Apart from these solved examples, interested reader may
simulate the reactor models given in the exercise at the end of this chapter.
54
ASPEN PLUS SIMULATION OF REACTOR MODELS 55
22
.
ASPEN PLUS SIMULATION OF A RStolc MODEL
Problem statement
Styrene is produced by dehydrogenation of ethylbenzene. Here we consider an

irreversible reaction given as:
CgHs-C2H5 -> CgHs-CH - CH2 + H2

ethylbenzene styrene hydrogen
Pure ethylbenzene enters the RStoic reactor with a low rate of 100 kmol/hr at 260oC
and 1.5 bar. The reactor operates at 250oC and 1.2 bar. We can use the fractional
conversion of ethylbenzene equals 0.8. Using the Peng-Robinson thermodynamic method,
simulate the reactor model.
Simulation approach
As we start Aspen Plus from the Start menu or by double-clicking the Aspen Plus icon
on our desktop, first the Aspen Plus Startup dialog appears (see Figure 2.1). Choose
Template option and then click OK.
iaj _1_J __J *j rv.Mt, I-Hid 3 I I l-J±]-J _J
_
J
FIGURE 2.1
As the next window pops up (see Figure 2.2), select General with Metric Units and
hit OK button.
Copyrighted materia
56 4 PROCESS SIMULATION AND CONTROL USING ASPEN
jzj
I M I I I lAl I I I- I
[5'.f»**-«i "v.* (Ma

j" *-** /.r, . - - ( 'to-.
JV--- *.j m . , _
j
'
jJ. mo; Mil E-v v 'Mi 3 'th B«M
W
r . jw*-N«ta»et« SkwtrM
.
j .j--jc-r; ] f.-S- -.r 3 C j n-V; j «' if!: VV.
FIGURE 2.2
Here we use the simulation engine at 'Local PC. Click OK when the Connect to
Engine dialog is displayed (see Figure 2.3). Note that this step is specific to the installation .
Connect to Engine
Server type: Local PC
User Info
Node name :
User name:
Password:
Working directory:
O Save as Default Connection
OK Exit Help
FIGURE 2.3
Creating flowsheet
We are now ready to develop the process l
f ow diagram. Select the Reactors tab r
f om
f nally place this unit in the
the Model Library toolbar, then choose RStoic icon and i
f uent streams
blank Process Flowsheet Window. In order to connect the feed and efl
MODELS 57
with the reactor block, click on Material STREAMS tab in th 1

As we move the cursor, now a crosshair, onto the proces flnw s fui , COriier -
two red arrows and one blue arrow. Remember that red aarr0WSfare 're(luired rrow
blue arrows are optional ports. ts and
Click once on the starting point, expand the feed li ne and click a~Hn tv f a
stream is labelled as 1. Addmg the outlet stream to the reactort tJXwa WW
-
n
y' UIiaiiy
we make the image as shown in Figure 2.4.
I .lal I Ml
= 03-
-
Q a
In
i . i . S -O-M-i
o
-
a Ri astt. tb pfvjj
FIGURE 2.4
After renaming Stream 1 to F, Stream 2 to P and Block Bl to REACTOR, the

flowsheet looks like Figure 2.5.
» l«IVl
-
'
. r- C«J Kf! Pin ftr-Kl«- LI'-TV iWoc,-. i
'
c*
Dlf
t lBI «BI Id if
f ! GN-|e>IM<iM h-I "I I IH -i
Eh-
at rsms acs'R
FIGURE 2.5
Obviously, the Sia s md/cator in the bottom right of the mam window h changed
the message rf om Flowsheet Not Complete to Required Input /ncom ff . fsimulation.
lete the ation
to enter th* remaining data using several input forms required to comp
Hitting Next icon and clicking OK on the message sheet displayed we get the setup input ,
form. First the title of the present problem is given as 'Simulation of the RStoic Reactor'
In the next, the Aspen Plus accounting information (required at some installations)
are provided.
User name: AKJANA
Account number: 5
Project name: YOUR CHOICE
Finally, select Report Options under Setup folder choose 'Mole' as well as 'Mass' ,
fraction item under Stream tab (see Figure 2.6(a) (b) and (c)). ,
MM ±S
_
i r- i - i- i jv
_
-
i « i iai
UMsi
[jjttiEjjft
L- - .1
J .
lU -
I- S . S . § -Q-M-O-
B.BM Bi
.
u. '-.C--- KC TIi PFtjj Rfem.
FIGURE 2.6(a)
Jl-T - i I- fV I -M I lal fifj
FIGURE 2.6(b)
ASPEN PLUS SIMULATION OF REACTOR MODEI S 59
Mil
: r-i-hi r» ! .|gi
.
i ip' h-i
,
Dm dm
r _ utM
-
it
I i i I M>l Umomm I
-
O
-
tic
'
waw «
FIGURE 2.6(c)
In the Data Browser window, choose Components /Specifications to obtain the component
input form. Now ill out the table for three components, ethylbenzene, styrene and
hydrogen (see Figure 2.7). If Aspen Plus does not recognize the components by their
IDs as deined by the user, use the Find button to search them. Select the components
from the lists and then Add them. A detailed procedure is presented in Chapter 1.
I?! 1 -1-
i "" TH III
sr-l© 8 18 0IIU
FIGURE 2.7
fd materic

Choosing Properties /Specifications in the column at the left side one obtains the ,
property input form. Use the Peng-Robinson thermodynamic package by selecting PENG -
ROB under the Base method tab (see Figure 2 8). .
ol lBj _
J
_ J w] KW«>|<H m -1 H JpJjJ J
r
"
""
3
"
3
f w Proc*li«t
J * e 1 3
3
"
U **-
STREAMS RSldc fn'«M BE t

RSbe RCSTR f PH)
i BB*
_
3M| #
'
FIGURE 2.8

The Streams IFIInput I Specifications sheet appears with the Data Browser menu tree in
the left pane. Entering the values for state variables (temperature, pressure and total
flow) and composition (mole r f nally have the following screen (see Figure 2.9).
f action), we i
DZSMSSEGSSSD
: fi* Hot Utorr Wrdo* f
H-c
I r I -1 "I T» ' I -Ml I . 131
A|>Mdiedtio<n| FWiOwonTl
|/M1XED
i]
o
t '***
-
"
Ware 2mu«
3
~
"
3
p3" 3
(i a ****** 3
1 'wr-S-
0
D
1
J -
' ur
ttBUH,
m '
re S
i q
-1 - Bli. - BO f""
su
SSiS
C
,.JT »J . :
.
FIGURE 2.9
information
Specifying block
From the Data Browser, select Blocks/REACTOR. Specifying operating conditions for
the reactor model, the form looks like Figure 2.10.
Efb »|-.| ..IB q .>| ol,,! |

3
F tc. PCStB CTo Mvg- .
l Qactg Mom. I » Vsm"

-
FIGURE 2.10
Specifying reaction information

In the next, either hit Next button or Reactions tab under Blocks /REACTOR Chck iVeiy, .
to choose the reactants and products using the dropdown list input the stoichiometric ,
coefBcients and specify the fractional conversion In the Aspen Plus simulator, coefficients .
should be negative for reactants and positive for products (see Figure 2 11). .
** b* bo "e*
> '-'
RiACTQR
Wt<it BCSTR BtVn
FIGURE 2.11

In Figure 2.12 Status message includes Required Input Complete. It implies that all
,
required input information have been inserted by the user. There are a few ways to
run the simulation. We could select either the Next button in the toolbar which will tell
us that all of the required inputs are complete and ask if we would like to run the
simulation. We can also run the simulation by selecting the Run button in the toolbar
(this is the button with a block arrow pointing to the right). Alternatively, we can go to
Run on the menu bar and select 'Run' (F5).
MM.|8W«'!i ,l|Hllir
DMll
I M ill
Elfb Imeicbah
""
A«s8V.'Bend /Sp«£tfeahont /Re- , r Am |

1 Contujlion | HMHiResclion | Setacli«ly | PSO | Eowmt
Rcadicxs
RxnNo Specilicaiun type Stochiotneby

IttrCanpi ETHYL-01 > STYREHE . KrtiflOGEN
UNIFAC Group* <l 1 -
I Comp-GroLps
' Con-.p-Lis's
*
1 1 Cperty Methods
S tstrfi tficn At tequfed npd u ocmpHe Y j can rui the MnuMlon nitw. w
':
Jj Moiecua- Sbuctm iiu can erttr more input To er4er more f-pj. Bated Cared th«n
> p ParameJers seled t e ooUont yoj mM tnyn Ihe Dais poldOAT-, menu
D a Rui ir-e sirxilatiwi now?
S Advanced
&reanS
_
Jfl :
(1 EOVsraH« P Rwchom occu r ien«

CJ P
3 Bocks
. RECTOR
Inpu C«nplete
[H " Mnwii/SpWer; Hea<Ev.-. i9Pt; J.,, Rucloi Chsnga, | M<n>M>t ( 5c«> j U»Mo*b |
-
CH
'
STREAMS RStdc RYieW
F -
r H«o press F1
, ,
t ll *
Sa
'
Aww.RaocDdr | « Awr.Mcd I
-
.
Boot
_
FIGURE 2.12
Viewing results
As we click OK on the above message the Control Panel appears showing the progress ,
of the simulation. After the simulation is run and converged we notice that the Results ,
Summary tab on the Data Browser window has a blue checkmark Clicking on that tab .
will open up the Run Status. If the simulation has converged it should state ,
"
Calculations were completed normally" (see Figure 2 13). .
Pressing Next button and then OK, we get the Run Status screen In the subsequent .
f nal results
step, select Results Summary /Streams in the list on the left and obtain the i
(see Figure 2.14). Save the work done by choosing File/Save As/...in the menu list on
the top.
If we click on Stream Table knob just above the results table, the results are recorded
in the Process Flowsheet Window, as shown in Figure 2.15
'
>k r« An [Mi Tt \r Um <.>«. MO
tnut iulmtiu imi." un nn i< nt ecu iiuti

ui tmrrrxz nm a tmh tmis us . unm
t
um wen* Mat- unic
- - -
-
CH
s ' w*. mw< n* w> ii>*j
FIGURE 2.13
-
T I M -I -lei
I I
- "
3» 3 "-'-I
J
-
a)
55T:
-
t« " <w
"
is*" .
, i i.
M», iMm
l>ii l«U
Man'*
m
cna
inpp BUB
Waw' VI | ****** | H»«U** .
incMA
m- @ . i . e u m u
' irw« wo* MMt ac» S
"- I r
FIGURE 2.14
Ffc Edt Ve
f w 0«a Into ftjn nowheri Lc
f fy VAk w Het
'
-
lup I , IT _
LiiE| | |a|
EES;: gIBl«l|Oi. £lal«l|'rj. .aaJj'lL

Mto SlAtM | Salami | HealEKclwgeij | Cokfwx naactan | pienueChange!i | Manpiaton | 5cM« [ UmModeb |
STREAMS 1 BSinc
, S 0 U 31U
BEoii HGMis RCSTB BPItg RBaM.
\ s FoWen JJswn Ru» H 1 HUM lfloAi Arta
f hie
FIGURE 2.15

For input information, press Ctrl + Alt + I on the keyboard or select Input Summary
from the View pulldown menu (see Figure 2.16).
CBSES
Fie £* Forw* >Atw
input Sugary created by Aspen Plus K«1. 11.1 at 12:U:CM Thu jul 5, 300?
Oirecrory C: Proqr-5R Pi les'AspenTech .norfcing Pol ders'.Aspen Plus 11.1 Fllep
'
e Ci .
Users-.akjana.AppMtaMocal Terep -ape906.tK}
title 'SlmUllon of the i

f Stolc Reactor"
"
IN-UNITS KET VOLU> E-FLOS<- cuB hr ENTM*LPV-Fl.O-'*»lkcal/hr' A

'
HCAT-TRAHS-C- kcal/hr-sqn-K" PRESSURE"bar TEMPERATURE-C &

VOLUHE-CUIT OELTA-T-C HEAD-neter httLE-DENSin'- c
'
'
f isol/cuni' &
fASS-DENSITV-
'
kg.'CUH" W)LE-£NTHALP- kcal,'noV t,
t-ASS-EWTM .P- kcal/kg' HE*T-MMkcal t'OLE-CONC-'mol '
.
T &
POBOP-bar
OCF-STREAt'S COMVEN AIL
DESCRIPTIOH "
General SlHllailoi) mith Metric units :
C, bar, kg/hr, knclhr. MMKcal/hr, c\m/hr.
property Method: Mone
Flow basis for Input: Kole

Stream report cooposltlon: Kole flow
ROP-SOURCES PUBEll - AQUEOUS / SOLIDS f INORGANIC

COMPONENTS
ETHYL-01 C8H10-4 /
STVRENE C8H8 ,'
HVOfiOGEN H2
PBOPERTIFS PENG-ROB
5THCAH F
SUBSTBEAf KIXEO TCHP-J60. PRE5-1.S MOLE-FLOW-100.
W>LE-FMC ETHYL-01 1.
'
B i I vjnwi-* |- la»«Jo
t l | lto.»,-s || -WEME1 :« jpCittU
FIGURE 2.16
- y wkjusu,jO t
f 65
DO
If one may wish to generate a report i

f le (* rep) o
f r the nrp f u,
instructions as presented in Chapter 1 .
P eSent Problem, follow the
2.
3 ASPEN PLUS SIMULATION OF A RCSTR MODEL
Problem statement
The hydrogenation of aniline produces cyclohexylamine in a CSTR accord f

following reaction: ' accor(lirig to the
C6H5NH2 + 3H2 CeHnNHa
aniline hydrogen cyclohexylamine
The reactor operates at 40 bar and 120oC , and its volume is 1200 ft3 (75% liquid) For
the liquid-phase reaction, the inlet streams have the specifications shown in Table 2 1
, . .
TABLE 2.1
Reactant Temperature (0C) Pressure (bar) Flow rate (kmol/hr)

Pure aniline 43 41 45
Pure hydrogen 230 41 160
Fake reaction kinetics data for the Arrhenius law are given as:
Pre-exponential factor = 5 x 105 m3/kmol s
Activation energy = 20,000 Btu/lbmol
[CJ basis = Molarity
Use the SYSOP0 base property method in the simulation. The reaction is i
f rst-order in
aniline and hydrogen. The reaction rate constant is defined with respect to aniline.
Simulate the CSTR model and compute the component mole fractions in both the liquid
as well as vapour product.
Simulation approach
Start with the General with Metric Units Template, as shown in Figures 2.17(a) and (b).
Click OK in the above screen. When the Connect to Engine dialog appears, again
hit OK knob to obtain a blank Process Flowsheet Window.
Creating flowsheet
Select the Reactors tab from the Model RCSTR
models available. Among them, choose
Litwy P cetheit process
t
in tn flow magr
them,
Adding inlet and product streams and renaming
look like Figure 2.18.
"
Q|a|B| JJ J_J
_
nMe
f l I 1 :1 si 21 __1_L.J ni M M ®l
A1 ] c 8lor+. SmuWen
r OMUsnE.ulr.lSim.jl.j'i-
"
Aap«n Plus « Vf # i VSJ6
FIGURE 2.17(a)
g *apen IP= Strean Prx&hts

mnz Lines.
MMa
t jJ-V arvtr
nitpwi wi mmi ,
I Beetle, «|fa Enshh ijrit Propetty I lhod; None

|aklnt«ill wth Medic IMi
Bow o
t ss crinpiif 'tee
Pocws g fAs Unfa Strtom e
r aai
cwrpcttEfi: Mote l
f ow
SpNf
t t/Chmic*
SUrti
'
FIGURE 2.17(b)
ASPEN PLUS1" SIMUIATION OF REACTOR MODELS 67
h W ..> 3a Hi* .<-»-» MMa
o|f|y|giai _
lg|g rj|twi<H;j 3 I ("l jajgj
-
I}-
tmuHt 1 Igj gMij gM Wii*. .Hi* ->
FIGURE 2.18
Configuing settings
Hit Ae button and then OK and get the setup input form. The present project is titled
as '
Simulation of the RCSTR Reactor' and the accounting information are given as
'
AKJANA/6/ANYTHING/YOUR CHOICE* (see Figures 2.19(a) and (b)).

f
Jim _iJ *! El &iMiid 3 I i"l 3 *I
- II -». w . t -.-.
FIGURE 2.19(a)
68 PROCESS SIMULATION AND CONTROL USING ASPEN1 M
' Fie E« On TmH PU Lfrvy Wilder- *k>
0 Spiiccii
l li«< MBW
.
.
jfl IM-SHi
O CuHsfflUnli Rovci ID
kfUCdRfMi
STREAMS
'
RSioc RYwId
. 11 -y-Bo
REgnl RGMw RCSTfl RWjg REafch
O * $3 17 1'.
FIGURE 2.19(b)
f om the Data Browser

In the subsequent step, choose Setup/Report Options / Stream r
'
window and select Mole' as well as 'Mass' fraction basis (see Figure 2.20).
B* E* Mxr CM* Todi ftr PW Uorv AWow h«b
i f KKI I n>i ij J |h| a|

ajJJ iBJ J al-rle 1 M
Cereal | Fot wiho* | Bbcf Ali j Roperty j AW |

0 SkW* Qnl
r
tun U be ndmM r, tiiMm itpoii
.
Jfl Ml S«t»
P MtJa P Mcta TFF [gENJ T]
! r Uau P Mm |S Standard fa0cdm>i
P S.>- .:abh t
r i t h (wo to-. 01 H itDon
P Componet -
f " M- Sc*-.. | S».*n | HME
f tW
Stl
(Bill
BV f vuc
f RE.M- t .
RGe RCS1R RPI m j,
1 " -
FIGURE 2 20 .
ASPEN PLUS SIMULATION OP REACTOR MODELS -f 69
The example reaction system includes three components. They are aniline, hydrogen
and cyclohexylamine. Defining all these species in the component input form, one obtains
Figure 2.21.
V nt Eik 4n e
f u To* FU. Pla Uh
3 Mdiilfs-3ij bj rl
~
AMIUNE C6H7I11
WyMOGEN K1T1R0G H
CYCLO H EWLAMICSH13W -01
Ffesctons
Eire V/cw) UtwCMnd Rtttdei:
' ""'""
D in
I I Sotd. | U«>M«Mt t
Ml
RSac Bt
r rtj t
f Eqai RGfcb) flCStft RFtifl Rl
f aieh
FIGURE 2.21

We know that a property method is a bank of methods and models used to compute
physical properties. For the sample reactor model, select SYSOP0 base property method
(see Figure 2.22) after clicking on Next icon in the above screen.
Fk fe u VW* D«» liA Fj, li -f V,Wfe/. hefc
i
I 3
urvac
_
j F rm
I*
Aipcn rim - Sani

si* | .>j3l*J<>TtQ('«W -i.d"°°«*''",l''fi'
FIGURE 2.22

As we hit Next followed by OK, a stream input form appears. For Stream A (pure
aniline) and Stream H (pure hydrogen), values of state variables and composition are
inserted in the following two forms, shown in Figures 2.23(a) and (b).
m mr.i
.
ffe * '-Am D«i T«ol« An Fix Uc**y Wnfe* 'k
mm >. Ittieiwj nH-clalsKM!sJ 31 ! HiJ21«) »)
J
-
3 i«*f
_
j PiAiW
Strunu
fj EOVar-ittai
SIBEAMS BGMw BCSTH
FIGURE 2.23(a)
'
:: f ,. whd*. Htfc
St Edi Mw* 0«« To* An a* ic
10
3 r i
Owet
i Jy MIXED
~
3
3 :iu*f..
-
3
-
O UMFACQtsun 3
« Zj EMMbn
ra; ToW IT
BCSIB «fl, m»
FIGURE 2.23(b)

In the next, there is a block input form. Providing required information for the CSTR
block, we have the screen as shown in Figure 2.24.
ASPEN PI-US SIMULATION OF REACTOR MODEIiJ 71
lim -Vii.l.-l!,! II I M --- B .

' i -I
.
E« Sm 'mm Lbw> MtM 4a .. f
d « « |.if.|.iu«-.| ne i
9 - .
'- I' I.. -I

p=-31 -r-3
'
i -
ff .
j .
J
- 1,--.
1 J
f
-
. I F 3
Si-
__-__
iir
ITXUK
r |®- 9 . S . 9 Q U O Mm fJe >-. -'« »-
FIGURE 2.24
Product streams have been deined with their phases (see Figure 2.25).
t
Iflll
I r-M-|r |T ' I .ICI I Ml
71
I.
li:
.
I
-
0 -p uj
» llji lli*! i j I t XMUavn I UMa III Hi | tm*mammu | » mi I Ma I iMHwk j

-
o-
I1XJM
m 0 . 8 . o y JE D IMMI Ptmt hm. unit TVl ggg
0»>W a< - <
FIGURE 2.25
Press Aexf button or click on Reactions and get the window (as shown in Figure 2.26).
ASPEN PI-US SIMULATION OF REACTOR MODEIiJ 71
lim -Vii.l.-l!,! II I M --- B .

' i -I
.
E« Sm 'mm Lbw> MtM 4a .. f
d « « |.if.|.iu«-.| ne i
9 - .
'- I' I.. -I

p=-31 -r-3
'
i -
ff .
j .
J
- 1,--.
1 J
f
-
. I F 3
Si-
__-__
iir
ITXUK
r |®- 9 . S . 9 Q U O Mm fJe >-. -'« »-
FIGURE 2.24
Product streams have been deined with their phases (see Figure 2.25).
t
Iflll
I r-M-|r |T ' I .ICI I Ml
71
I.
li:
.
I
-
0 -p uj
» llji lli*! i j I t XMUavn I UMa III Hi | tm*mammu | » mi I Ma I iMHwk j

-
o-
I1XJM
m 0 . 8 . o y JE D IMMI Ptmt hm. unit TVl ggg
0»>W a< - <
FIGURE 2.25
Press Aexf button or click on Reactions and get the window (as shown in Figure 2.26).
72 PROCESS SIMULATION AND CONTROL USING ASPEN"
I f CCTn i
UaftCSTRl
«b Ed* ««» DKB Tooit f tr t
Pa IJfewy Wirvis Hdp
_
f |ej
e rgklaKKM "I ! I"l J JJ J ®l
JJ
-
i 1 i HT I leal; I M Hi
, Setup
Solsd .e ion Mlt lo be nciideii n ihs

Arabia i««clw wU i SriBctedttwc'cn'-
rWft af Studio
MvanMd
a h
11
.
L
Bocta
-
C5TR
e s-up
(J EOVsnai>«
O EOhpu -
O Sp«c GfWJpt
Pott
leschon E3 ID
Peaili
-
ii
[1 " MiMMiyS{«ter9 | S«p«aU»i ] He*E hangefi j Coluwij Heoclou j Preiwe Changeii ] MfloipUaloft | Sf** | UiwH&Wi |
-
a->
t d \
Mae
STREAMS REeril RGtb! f CSTR
i RPbg
'
C \ fl FtAJerj'Aweo Piu) 11 i HUM

~
if Ofttce Woni j f-toggft Pcwergjrt . l . j t X>< frofett f [

MjCe o
FIGURE 2.26
Right click on Available reaction sets, hit New button, then either accept default
name R-l or give a name as we want for the reaction set and i f nally click on OK .
Subsequently, select POWERLAW in the Enter Type list and hit OK to get the screen
as shown in Figure 2.27.
Ffc &» *w tWa Toe* fU Fte Ubnr, Vttyfcw Hdp
MHl
r .-l-i- PT -.1 M- I Ml jW
.
/Spccft hm j/S««atm/Ba ljont] PSD j CwvwMAm [
£j Pwwt/Henccs S dect (sacbcn tw to t« ndudsd r nwdel
LJ
"
1 Mdecwer Su-me
J : -
_ j Data
i _
f co-S*:
V) t
Jfl H
'
i o l
csrn
O '
t *i
9 Sp«Go
H SbeenRMub ,
<0 s s s o O
LJ.
FIGURE 2.27

Hitting Next knob, we obtain the screen, shown in Figure 2.28.
ul.i
** cm <%* fw » -.>=- **
S .
* | SiMMt | HewE h-vjpr | a m- Rm om { Praiiu,Charge.! | H««a«» | I UmiH<mM |
STfttAKS RStoc
i - s - § .©.mo-
ff.W RtajJ RGttK flCSTR RPl RBWtf,
FIGURE 2.28
As we click on New; button a form is displayed as shown in Figure 2.29. In this

,
form, we need to enter the stoichiometric coefficient as well as exponent for all
components. The exponents represent the order of the reaction with respect to each
component. Note that there are two types of reactions [kinetic (rate-controlled reactions)
and equilibrium] permitted under Power law reaction ID .
Dli*lBj J J e
f iej *l nrMfcl-NM '»!
_ _
1 I H -I l?l 1 ®|
I f~ l-.l. li IT ! -lEI I |gl
Caw** 1 CMtft** 1 f.t * Cow«rt Co o* *

[ r.i.-' |
_
M. | |
- j
J
hB- 0 . i . 0 1 1
iiif tw4i f.4M Bf»J Km wifl
ft j A J » " .» 1 »*r**:««w«i-Lij<* * -*,»1 1 i ' . || 5-i - «ft ' 11"
FIGURE 2.29
74 PROCESS SIMULATION AND CONTROL USING ASPENT
As stated, the reaction
C6H5NH2 + 3H2 C6HnNH2

is first-order in aniline and hydrogen. Also, the reaction rate constant is defined with
respect to aniline. Accordingly, we may use the following information to specify the
reaction (see Table 2.2).
TABLE 2.2
Component Coefficient Exponent
aniline -
1 1
3 1
hydrogen -
1 0
cyclohexylamine
Recall that in Aspen Plus terminology, coefficients must be negative for reactants
and positive for products. As we fill up the form, it looks like Figure 2.30.
i
'
lltiliiii ESS
aj} f*, Fe>
.
iw tup Tcotr
"
BoacMrNo.: |7i 3 Reaction type: 3

RuctMi - Product!
Comnonent Coei
f cient Enponent 1 CompafieW Coelficient Ej<ponent
ANILINE 1 j ; CYCLO-01 1
-
IYDR0GEN 3
.
j *
* 1 i
Ctote
Bock,
y Reactiom
r J Chemolry
B Peacuons Edt Delete
ft R-I
1 Convefgcnce
fj Rowaheetng Onions
1
.r
Reojrad tipul hcowMe
IT Mam pKen | Sepaators | HeatEndiangen | Cokams Haachm | PtenueOiaven ] SoUt UnModeb
KWariel
STREAMS RSIoic RYieU
1.0 .y-U-U-
HMj RStb. RCStfl BPIm Rieldi
"
ForHefc weMfl . !C\i,fi*ta.vW«iHi.111 , HUH

-
ReuMtnO
« « b3
FIGURE 2.30
If we do not specify the exponent for a species, Aspen Plus takes a default value of
zero. In Figure 2.31, the resulting relation is displayed in the stoichiometry sheet.
In the subsequent step (see Figure 2.32), we move on to Kinetic tab.
PHPI Liasigl -
.
if?:.
3aft l"-" JSldilJP BiiJllalil
-
.
j am
I» j 0-.
- 1 <
) - .IW I I I Ihmt
<o- y i Q on o
"
KiMWiingwr r ~ » !
FIGURE 2.31
Irl |x|
IM .Q C3WA\*\<M H
* "I I"! -I vl -I 9|
r .
"
3alt: »l*l <<Jp »| Gh-t ml

- 1.-.,.
' jl
I
- 3
9
9 .
t ino mn*&*B**n*
t .
ta
3
.
jl .
.
-
*
P '
* jl
.m* Vm m t> mam >ew*

r
.
-
. KIT
FIGURE 2.32
76 PROCESS SIMULATION AND CONTROL USING SPEN]
basis. Accordingly, the
'
'Molarity
As directed in the problem statement, we use
Power law is expressed as:
n
E n 1
r= k exp (2.1)
[T0; R
where r is the rate of reaction, K the reaction rate constant (kinetic factor in Aspen
Plus terminology), k the pre-exponential or frequency factor, T the temperature m degree
K Tn the datum temperature in degree K, n the temperature exponent S the activation
energy R the universal gas constant, C the molarity in kmol/m a the concentration ,
exponent, i the component index, and 0 the product operator.

If To is ignored, the Power law expression has the following form:
E
r= kTnexp n(G) (2.2)
RT
where,
E
K = kTn exp (2.3)
RT
In most of our simple cases, the reaction rate constant is represented by the Arrhenius
law, that is
E N
K - k exp (2.4)
RT)
Notice that when the Arrhenius formula is used we put zero for n and nothing for T0
,
in the Aspen Plus window. Also, the units of the pre-exponential factor are identical to
those of the rate constant and vary depending on the order of the reaction As we .
know, the dimensions of the rate constant for an nth order reaction are:
(time)-1 (concentration)1-'1
Next come back to the problem The kinetic data are required to provide in the above
.
sheet. Here we use the Arrhenius law to represent the reaction rate constant. It is
important to mention that the pre-exponential factor must be specified in SI unit. For
the example CSTR problem ,
the pre-exponential factor and activation energy are given
as 5 x 105 m3/kmol s and 20 000 Btu/lbmol respectively (see Figure 2.33).
,

In the window shown in Figure 2 33, the Status bar clearly indicates that all required
.
mputs are now complete Hitting Next

.
knob and clicking on OK we have the foUowing

,
Control Panel (see Figure 2 34).

.
mam
.. ._ - -J »«. Pe Un* OMn m,
QMIHI -I .1 gJ al-i-|«>l*l<l*-| n.| | M

I r l-'l-'l-JV .
l .lalr : I: Ml
"
ANIUNE . 3 HYDROGEN -i CYaO-Cl
f LMMMto twite
s csm
3
ll ; US
a-i
*
Kdlarai."
stream
farHsfe.pnMn
| igiM ac
f . .| gdifcT
C ,«fi .. | g a»»ita 11 .ao
r et . || S fSTI- « 45.}
,
«.s
FIGURE 2.33
:
Fc
f Dm Taofai Run Le
f sry Wirdiw KHp
DMB| al M -H x?! nklaKI I I »>| IS -I H g|-|3| @|;

"
JJ 1 1- i,JV
,
-Hal
-
iLWjilSla)
5
@ CSTPJ
oxputatich carsB rsi
Bi«ck.- csra uc tai. rcstr
fV . j Sep«a(«> i HwlE-changer. [ Cokm* Hb«1o« | Pte eChsr rt | M npuWw: | StJd; 1 UiwModel: |

MitoJ
SIflEAMS RStM fffxM REquJ RCiibOi BC5TR B Jg t
f Salch
fo K o .. .
.-
FIGURE 2.34
Viewing results
In the next ,
select Solver Settings, choose figsuo Summary/Sf ms in the list on the
left and finally get the results shown in Figure 2.35 in a tabulated form.
B» Ebl V«- D*. TMi. Hun fW ijt MiiM m J4J«J
I f I I i PT ! .leal I - Ml tM
" I i I i i I I i
"
3 '-" l
il il -
am nil 1
1000 0541
0«5
0J30 0 001
MUM nooo
-
mmmi tso 601

'
1
ITTe
r 0«J
sm DOM MPPM
0 98)
nr » | HuiE«*w> ! C<*jwi fl-ctet. | FYB.M.Change.. i | UisrWodeU |
R&tac RVWd
i -1 .QMi-O'
SEgJ HQtei RCSIR RPa
f a Rt
f Wi
o
t * j 3 tecofQB.c .jjJ Heer to P yP j Jatwlpd | .Ei wprf [{ AwenPkw-S « 1*35
FIGURE 2.35
Save the simulation work in a folder giving a suitable file name.
2. 4 ASPEN PLUS SIMULATION OF A RPlug MODEL

Problem statement
The combination of two benzene molecules forms one molecule of diphenyl and one of
hydrogen (Fogler, 2005). The elementary reversible vapour-phase reaction occurs in a
plug flow reactor (PER).
2CqHq <-> C12H40 + H2
benzene diphenyl hydrogen
The forward and reverse reaction rate constants are defined with respect to benzene.
The vaporized benzene (pure) with a flow rate of 0.02 Ibmol/hr enters the reactor at
1250oF and 15 Psi. The data for the Arrhenius law are given below .
Forward reaction: A; = 3.2 x lO-6 kmol/s . m3 . (N/m2)2

E = 30200 cal/mol
Reverse reaction: k = 1.0x lO-5 kmol/s . m3 . (N/m2)2

E = 30200 cal/mol
[C,] basis = Partial pressure

The reactor length is 36 in and diameter is 0.6 in. It operates at inlet temperature.
Applying the SYSOP0 thermodynamic model,
(a) compute the component mole fraction in the product stream, and
(b) produce a plot ofreactor molar composition (mole fraction) vs i-eactor length' (in).
'
ASPEN PLUS SIMULATION OF REACTOR MODEI S 79
Simulation approach
Select Aspen Plus User Interface. When the Aspen Plus window pops up, choose
Template and click on OK (see Figure 2.36).
i -
...
.
...
iwmmmlt mm
FIGURE 2.36
In the next step (see Figure 2.37), select General with English Units and hit OK button.
1 V-
I
-
- -
FIGURE 2.37
Click O/C when the Aspen Plus engine window appears.
TM
Creating flowsheet
In the Model Library, select the Reactors tab. Expanding the RPlug icon, the following
screen is obtained (see Figure 2.38).
li,-1?-: ?-- IM
Uj _
SIftEAMS
jS's - s - § o
'
RStoc flY»cf ) W»J RCe
t RCSTR RBf
t d<
FIGURE 2.38
Inserting the left bottom symbol in the Process Flowsheet Window adding the feed and ,
product streams, and renaming the block as well as streams, finally we see Figure 2.39.
Be £* *> &M ro* t
f j> Uonn WnSo* H*
r|ttF..U|-. -nr Nsi|--..| -MBi IN
>|[T><rr| h~o
,
I* -****** | f«M». t hmI- mw | c*-« iu««« I rM..1,o, _
i 1 '
S'W
iS- SSI Gj
-
' BS*» FTiMd ftc nstfa. HCSTB flfy ,

q.
Tftj T
FIGURE 2 39 .
r ng settings
Configui
At this moment, we are sure that the process flow diagram is drawn correctly . The Status
message directs us to provide the input information. Hitting Next knob and clicking on
OK, we obtain a form for setup specifications. First we input the Title of the present
nroject (Simulation of the RPlug Model), followed by the accounting information
(AKJANA/7/ANYTHING/AS YOU WANT) and Report Options [see Figures 2.40(a) to (c)] .
3Sif*r-~3 *m si f iai g
I >>i l
ISrolWoneilheHPVjgMocW
Vdd|*MMC |
-
o->
SIKAMS '
HSteic tVM
i s u -= u
myt t .
RG|te RC?tR Rptq RBtuh
FIGURE 2.40(A)
UaTSil
> nt Mm OKk TMIp An W L±>»v WWo* H*p
arsi
aiobdj-/Deicnmn >/Acciwnlina| 0>agr>o«(«ci {
[T MMi- pdim I Smmnc I HulE«chv4«i | Cot-mi. lf o«'«" | Pimm«C»W
SIRLWi
hB- 1 -1 - 8 Q
fl5ia R.'* RfrMl RGfaU; W Iff Hf''-.
O
"
U
gMdiM-AiMf But " I
__ '
.
FIGURE 2.40(b)
dmbl Melm mbhjsM«!] 21 g
r m«i
» r SM
K C twwrH »4i , »« flow W 'IK
»O-S-0 y
FIGURE 2.40(c)
From the Data Browser, select Specii f cations under the Components folder. As we provide
the chemical formula of the components in the Component ID column, the other columns
of the table are automatically filled up (see Figure 2.41).
< Fit E* Htw D«i Tat* ftji RsT Ihwf f f

f ntotr Hie
IMM FvmU,
cia<io
_
j «r<rCwwi
SET
"
r* rg '. Bin
k«W iooxi Id* -J
d
'
rvJ.cnttm
Mwl «*h TOIR
FIGURE 2.41

In the list on the left, choose Properties /Specifications to obtain the property input
form. Then choose SYSOPO by scrolling down (see Figure 2.42).
tmum
3 1 I
is I
I
3
d
"~
r.
I 3
. » r
ETREAfce ftStac FTV dd SEtMl RCSTS RPljg flgateh
FIGURE 2.42

In the let
f pane of the Data Browser window select Streams IF and enter the values ,
for all state variables and composition as shown in Figure 2 43. .
_
i r _ .
IF
{y MIXED 3
Stae
t vsmUm
" " "
3 3r 3
|12SJ |f 3
1-5 |p. d H2
UH**C i3rtu»
Toid lf wr (m.,- 3
|0 02 jbmot/N 3
Miinii
"
Tdat IT
Hoi 'jmvUf t.
i-1 . § . § u-i j
'
i* Rff
r i be j noe
t ncsm npijg m»a
FIGURE 2.43

In the next, select PFR by opening the Blocks folder The reactor is specified in the .
window, shown in Figure 2.44 .
i Wl t
f fl P*l Lb try Wn
Jill ' IMMM

r-.i:i i nr
*
J Ntw QuwclWMldn
-
'
3
J/j Prcf n«
-
J
> -a f
aock-
_
J Readx
_
J C -wssxe
I Sold* { UnrMixM. j
BE** ftGMn
FIGURE 2.44
Open the Configuration sheet and enter the reactor dimensions in the next form
(see Figure 2.45).
F«* Edt t
t m 043 Tuafc flun fVK tbwy Wndm H* Ma
DlcglBl 1 M iteial *l uW\&\**\<\vi n>| Hi ! |Mi H i?i :H
_
j . /- itarj
36
DwtmUt 06 . -J
S _
j PAttwn
?»cp(rtif Veered
a :
| Sohk | Um> Modab |
a §is q-u
'
RStot Rrail flE<M Wite' BCS'R Bp
HUM
FIGURE 2.45
T the subsequent step, we define a reaction set for the simulation. The default name
R-l has been accepted. Then select Power law kinetics and obtain the picture, shown in
Figure 2.46.
' r
M *" D*« ** "rw*
I 22
'
i)
SIR£>M$
H®-1 j . I y
' HStac ffiW RCqU RGtti RCSTR if B
a BB*J>
FIGURE 2.46

Hitting Afofr button and clicking on New we have the following forms (see Figures 2.47(a) ,
and (b)) for reaction number 1 (2C6H6 -> C12H10 + H2). Since the reaction rate constants
are defined with respect to benzene we convert the stoichiometric coefficient of benzene
,
to unity for both the reactions Obviously the reactions are second-order.
.
,
Jala_jj iiei wj nHM'.teM ».| m .| |h| .| pi ®|

1 r..l..|,.l it . 1 .ibi- 1 / ial
Rmmm
I1-I'
v R 1
ii
-
o -
-
0 S 0 1J
-
a .a # 1
FIGURE 2.47(a)
HI »l
D|tf|y| I I <«l aHM-KM

~
l ! |h| -i ~ij j
05
J _2=J
j i
. :
3-1-0 o =uRE R6ie

f RnSTR
-
f ue HB**
'
j y- Bi-KOT- W j K Mmrst* Moiod j r jj Aver. Plu< - 5M " ij.} 30» '
FIGURE 2.47(b)
As mentioned previously, when we do not specify the exponent for a component ,
Aspen Plus uses a default value of zero. As the message on the screen, shown in
Figure 2.47(b) reveals, it is true that the forward reaction rate does not depend on the
product components. After completing the first reaction, select 'New' r
f om the Reaction
No. list. Enter '2; for the reverse reaction QHe C H + H2) and click OK (see Figure 2 48). .
3| |B| JJ Mgl jgl nklaNUI I n-i 3

_
_
LliiJ El J
.
-
l.
- -
. ff a
f laltfrfi .1 ilBl: I si
«|-
r a
1
Oeate a nm Redcton No .
PR
R-t
i'R£aUS nS>« tMM

BCtM
Cir.-,.;
tf I"..-..,
Gbb. RCSTf
n -.n
""
t RFVp IS
Fa-Htfc mm FI " "~
'-
-
--- II *p»f\«-a»i «
FIGURE 2 48 .
Subsequently provide the stoichiometric coeficients along with ex

the screen, shown in Figure 2 49. ponents,
.
and get
ASPEN PLUS SIMUIATION OF REACTOR MODELS 87
iViirtiT.r
433
1 n-i 1.1 nr -
i ,ieii
. i mi *m
i; i
71
am*. | CJk-< | [(on '

CI.X'6 > wi [1
. 1
. 1
J _i5Lj
jjWM REaJ gg»] HCs lf ft nawcft
FIGURE 2.49
Hit A exf knob and obtain two stoichiometric relations as shown in Figure 2 50. .
-
.
y. To* An fV Lirwy (fntjrw Mai

DMBI 1
-
i-nr .1 w - i
-
3>>J qLJniJ
HmNo Stuctimttry
: Kn«c
_
j MHnnd
, I Sehdt I Ui*M«Jrt )
u E .11
,.
61 bio's
*
c
' fif.ioc ff/ id

1r§
he j* new- tf CMn flrv Rn»th
c v e (BiiTffiirr ft* n-i " "
FIGURE 2.50
In the simulation of the present problem we use partial pressure basis (applicable ,
for vapour only) and therefore, the Power law expression has the following form:
,
( f >
n
E ri 1
r = k exp (2.5)
R To ,
where , P represents the partial pressure (N/m2). If fo is not specified, the above equation
18 replaced by:
r= kTn exp mPif1 2 6)

RT, .
For the prescribed reactions, values of the pre-exponential factor and activation energy
are provided in the two forms, shown in Figures 51(a) and (b). To apply the Arrhenius
2 .
law, we put zero for temperature exponent n and left the box, allotted for datum
temperature T0, empty.
i»f.i
I r mi r» ! .isi; I - IB!
as
±1
"
[i) cfwe-. sciwio. 3
1 d
E §
ill
* ai F
* a ?
Si Bacfa
i PR
0 R-1
f EfiMS
Stl RSI ffrteM REqui Rtjc t
f o RCSTFI RPVJ5 RBVch
FIGURE 2.51(a)
». Ea »«, 0«, r i, a .
.
i '
r u>i-«i» rr 'i-.joii
-
"
HMfcl"" »|-»l «l|Ii 3 >>l Dj J n.|

(31 50*10. 5m; . C6M6
a i
KiMtel«daNUT/T>>|"*'(E<n|m'l/TB|
i a *******
I Mill
SfBtMK t t
' BSe R>wto
8 i 0
Rt fjfl ,
a
"
11 Lin i
FIGURE 2 51(b) .
ASPKN PLUS SIMULATION OF REACTOR MODELS 89

Hitting Aet button and running the simulation, we obtain the Control Panel (Figure 2.52)
showing the progress of the present simulation.
_
i r-i I !'f»
_
-i-igi 1 w aisd
(0 9 S 8 O = UM t<< Of*
FIGURE 2.52
(a) Viewing results: Click on Solver Settings knob, choose Results Summary/
Streams in the column at the let side and inally obtain the results for all
streams, shown in Figure 2.53.
I r-i-i -rf7 'i -Hi i in i*l
" J
a S d
IUWi 1 -m
- -
tm-1
" "
TW no-
4 1-
- -
*m sub-
-
aaraocc- ve- im
(stcsss: -
rwm 1
L
RT Ml
Mr
-
oi
TWI
M
I - I M»l
inuA mm mm mik --
-I * I-
FIGURE 2.53
C ll
(b) Producing a plot of mole fraction vs length: Use the Data Browser menu
tree to navigate to the Blocks IPFRI Profiles sheet (see Figure 2.54).
MJi HillLlim-WPMlMli -. ..l»1.T71.
e Wi
» : Ft«.
in V*» C#» roe*
&*l V*t Hjii pw
Toe* H Ltmv >
PW L*f«7 "«
Dloi|y| I -.1 Eet lBl «d H H I"! li U
.
ifl - P.OC..I Sbe«. I
it Pt >wt«
f aa 9»um
t
-
e v.
-
a pf
_
pn F z
Utt Sutra.
far-
bt !S iHo
f] nwdb IS TZZf&VS
"
; 15 r?55 sSiTFW
4
.
s !5 00001 u*?
-
m
a 9fM- p« Z' 5
A m RNdm lb i55S
-
r
QniMga i* 15
IS last 1 [ri!DK4IIft
g LSiQFM,
it. j
I Maroiato-s | So** ) UtaHvkk |
C :., a fciJen'j'jsei Pin v
FIGURE 2.54
In the next, select Plot Wizard from the Plot pulldown menu Alternatively, press .
Ctrl+Alt+W on the keyboard and obtain Figure 2 55. .
a S5
I
: PlOCCUtilMnKtXEflM
1 a ft
Wercome ta Aspen Plus Plat WU.rdl
;
9 EM IJ
if/ t** Ocw
jlE
E
ft Fa* ;
ii
24 IE
ir
-
9 a EOCor-Ortcm ;
fj LSSOPBu -
L J J
51 REAMS
1
1 HSbe
i . i y=o
HVMJ REcU ROttx
FIGURE 2 55 .
Click on Next icon and get a variety of plots (see Figure 2 56). .
ASI'KN PLUS SIMULATION OF REACTOR MODELS 91
MM
pi-eniajaaisi =i r. -i ht a3f j
a
---
3if* I 3 4321 iiB1 3iil 3t J Id
I
a tfmm
i
9 -
? - m N
1
-
n 1
17 f
R
-
n
ri
n 1
(
< H
1
J I i
iTmao -
Ntj mc < w
- " -
ind* .. -_;=_
FIGURE 2.56
Among the available options, select one plot type that is titled as 'Composition' and
press Next button (see Figure 2.57).
'
r-l |..l'fT
-
- 'i-lci 1
fi ita.l
3 i±d «JP-3a -''ail -i -
.
a - i r
-
io -
-
j
-
m -
a Bin
3S
v- I i-*
-
3 '-
-
4
{© 9 . i 0 Q -O-
'
w > mm "tj~ mm m> mm J
FIGURE 2.57
Again click on Next and get the form, shown in Figure 2.58.
I mim 1?! r3l-<-lfcl<.UM "-I H _jLH jd JEl
V) - , PlOCBU SUUM j I I
i
.
iJ PHI f''V.I fi
,. -1
I
5r .
i
.
i {
CIS-
t
ri t
!
_
Cvitl 'Sack ir i
-
CH
STREWS RYaM
si y
TlSitd mt*» SCS?l
f BWug
uBl
f Wch
1« j- 9 -B- «M
FIGURE 2.58
Check whether the information displayed in the window, shown in Figure 2.58 are ,
ok or not. Hitting Finish knob. Figure 2.59 is obtained by plotting 'reactor molar
'
composition (mole fraction) as ordinate against 'reactor length' (in) as abscissa.
t- <\<- Dtfa Tooa Put trv . Wnsmr H(*>
Dl lHl am o
t ivj ipi al-nal-KI I"»! Its I M .l lal yj
Block PFfi Cemmin
| Xnxan. | Sou | u>Mod> |
STROIMS RS'jc HTot)

si u=u
Qg RGtfc, tf CSIR ftFy
111 *
'
.
" ' 8M,
FIGURE 2.59
Note that the plot window can be edited by right clicking on that window and
selecting Properties In the properties window
.
,
the user can modify the title, axis scale,
font and colour of the plot Alternatively, double-click on the different elements of the
.
plot and modify them as we like to improve the presentation and clarity.
ASPEN PLUS SIMULATION OK KKACTOR MOOEI 93
2 5
.
ASPEN PLUS SIMULATION OF A RPlug MODEL USING LHHW
KINETICS
Problem statement
In acetic anhydride manufacturing, the cracking of acetone produces ketene and methane
according to the following irreversible vapour-phase reaction:
CH3COCH3 -> CH2CO + CH4
acetone ketene methane
This reaction is irst-order with respect to acetone. Pure acetone feed with a low
rate of 130 kmol/hr enters a PFR at 7250C and 1.5 atm. The kinetic data for the Aspen
Plus simulation are given below.
k = 1.1 s"1
E = 28.5 x 107 J/kmol
n=0
T0 = 980 K
The unit of pre-exponential factor clearly indicates the |C 1 basis. To use the Langmuir-
,
Hinshelwood-Hougen-Watson (LHHW) kinetic model, set zero for all coeicients under Term 1
and that for all coeicients except A under Term 2. Take a very large negative value for
coeicient A. The sample adiabatic PFR is 3 m in length and 0.6 m in diameter. Applying
the SYSOP0 base method, compute the component mole fraction in the product stream.
Simulation approach
As we select Aspen Plus User Interface, first the Aspen Plus Startup window appears,
as shown in Figure 2.60. Choose Template option and press OK.
2I=lHJ-J-Lag Pl-W i-H=J Tl I I I 'IW *l
1 -I
**mmm*mH MM
FIGURE 2.60
In the next, select General with Metric Units and again hit OK button (see Figure 2.61) .
pea
An IPE a-wm t
f cpwl*
' <*-Sxar
Penmen Mair>
'
"
11 '
'C*
FIGURE 2.61
As the Connect to Engine dialog pops up ,

click OK.
Creating flowsheet
From the Model Library toolbar we have selected RPlug reactor and developed the
,
process l
f ow diagram as displayed in Figure 2.62 .
He & 3an Tocfc fir FW mI Jy»r, WnSe* Htfc
Qi lHI aiai |a| yj nl-i-iaKKi i w.| 3 _

i ii<j
_ _
j 3 _j _
|
rlttF-I l- l PT I Mi I igl
s,flt
H8- S . 8 - <SSL QU U
zzz rsr izf
M awif- ~ -
FIGURE 2.62
ASPEN PLUS"1 SIMULATION OK REACTOR MODELS 95
In the list on the left, choose Setup /Specifications. For the present problem, we wish to
'
give the Title as Simulation of the PFR'. and accounting information as 'AKJANA/8/
ANYTHING/AS WE LIKE'. In addition, choose 'Mole' and 'Mass' fraction basis for the
streams under Report Options [see Figures 2.63(a), (b) and (c)l.
' i LU.
-
Ml o . § 6 onu
m»t «>>.
FIGURE 2.63(a)
I'HIM ' - XM -i..
FIGURE 2.63(b)
Gopyngt-
ttn fci VV* CMi teds FLn Pw lirat, VAmow 3ip

o|a!|ai I I tef iel t?! phlftltl l'-l n) _L_L!iJ iJ 21 j2J
i r- i-i pt | -|m i - imi
Cor i j now***- I etod. /StaM»| p'««"y i I
ti-n» o
t hi NAKa
t d W
FkMbM hi--- 'i
P Hde PM* TFf, IGEN M.
3
T Mm. P
P Cwowit nih IWO ib- «I'KUjn
SI REAMS PStoc frririi REqal t

f 6tU RCSIR RFV) ~
BSatc
fefHeb pcufl CV l
f FoldenXAaDerPlB 1- 1 NUH : -r irt- rt.- r tr.-arpt-i
FIGURE 2.63(c)
Select Speciications under Components folder in the Data Browser window As we .
out the Component ID column Aspen Plus provides the rest of the information in ,
component input form shown in Figure 2.64.

,
l
f e EJI Wen On tim» t
f * Put Utray Vfrifcw o
t «
1 f -
i i-i- r» jiAm \ m
"
3 M£ i J nJ -3 »l Qj -.1 «*!
3 S-L*
O SfamOM*
Tim
tCEIO-JE
SottTSe )3<roi
itENE KEIENE bHJO
$ a«pm)<i seths -pn
»
|1
i Bk«k>
sti
f cwi wiac f
f .
-
8 . 1 -y-lE-U
Pfcu
'
ns tu ncsTp
FIGURE 2.64

Hit Ao
f rt button and in property method (see Figure 2.65), scroll down to get SYSOPO
ASPEN PLUS SIMULATION OF REACTOR MODEI.S 97
JtUI
l r Ll_L_F
_ _
-iCI I ! !
9 "w-cwr.
I 3
j» -
f
. la
mr'iiir
(0- 0 I
.
t»*
: I jn U- ia ).
FIGURE 2.65

In the let pane of the Data Browser window, select Streams IF. Inputting the values
for temperature, pressure, total low and mole fraction, we have the picture as displayed
in Figure 2.66.
I.UH
-
;
I , ,
3 i--- 3
I '
.
-
r
I--... --
I
'- -
3
figs?
I'* 3
g M
f|7
. »
-
1 i iT
I- 0 . i . 8 OMU
»»«« gjc «ani ggi
FIGURE 2.66
ASPEN PLUS SIMULATION OF REACTOR MODEI.S 97
JtUI
l r Ll_L_F
_ _
-iCI I ! !
9 "w-cwr.
I 3
j» -
f
. la
mr'iiir
(0- 0 I
.
t»*
: I jn U- ia ).
FIGURE 2.65

In the let pane of the Data Browser window, select Streams IF. Inputting the values
for temperature, pressure, total low and mole fraction, we have the picture as displayed
in Figure 2.66.
I.UH
-
;
I , ,
3 i--- 3
I '
.
-
r
I--... --
I
'- -
3
figs?
I'* 3
g M
f|7
. »
-
1 i iT
I- 0 . i . 8 OMU
»»«« gjc «ani ggi
FIGURE 2.66

In the subsequent step (see Figure 2.67), select PFR under Blocks folder. Specify the
reactor as an adiabatic one.
i fc
f Ed» We* Oo
t Ta* Rn Rot lisrary VAnJo* He* 313
OUIHI I I itelal i?l rsK NKiH »'| 3 _
UjiJ _J -il SI
aft I 3 »hJiii(s £i»i

-
i KSS 3 ulwCcr/gi/Wcr. |wRtK(nni| Pitt*** j
_
J AM H
.
_
J y c
-
9MM
-
Jfl F
O BUM*:
3;-* Ctro'
~
| | = 41111)
Ma t
O EOrw -J
STREAMS RVaM
.
8 i US IJ
BEqut RGhta . .
BCSTfl SPlup HBatet
f
C ' g Foktect- apen FVi il l : HUM fW Ki rtsi muc s
60* r;;a«cfefZ-M!S j - jj.
tii
'
fo
t M } }LladuTti
f 5- j .'debt AgttK Pr |{
. Plus - S .
« 1107
FIGURE 2.67
In the Configuration sheet reactor length as well as diameter are given (see Figure 2.68).
,
Rfe E« 'rim 'tieo An PW
QNB| _ u ie|jg] n|-<-|fcN M Hi a »l |n| .la l i|
I 3
"
36 a
t SM
3i
StMt
r l "
.
J6 f 3
rj f
& t
f dta
PnAn
f EOVw-b*.
a EOmpJ -
0
D
SWMlttf I HtHEttl
D-* iisi (
-
StflE*MS RSlac frtM

i -1 -o-n-o-
M*A RBto PCSTR
FIGURE 2.68
In the next we define a reaction set for the present simulation The default name
, .
R-l is ok Then select LHHW kinetics and obtain the screen exhibited in Figure 2.69.
.
,
ASPEN PUJSTM SIMULATION OF REACTOR MODELS 99
1 W-l-K-l..
-
a .
(@- 0 g g u a u
1 . - WW -G- Hi-' WS.
FIGURE 2.69

Press Nex/ knob and then click on New. Under Reactants, select 'ACETONE' from the
Component dropdown menu and set the coefficient to -1. Similarly under Products,
select KETENE' and 'METHANE', and set both coeficients to 1 (see Figure 2.70).
'
i r.:i..i-u rr . mi-*ic|
d «- 1 d
*.Ml' -
t 2 roK-. i
.
I*
-
in«Mt
Q -
-
<@ S 8 § Q»0 *a>. 'mh gi»
FIGURE 2.70
100 PROCESS SIMULATION ANnjWQlOLUSING ASPEN'
Hitting on Next and clicking Kinetic button, we get Aeldn ics input form. A littl e
description is given below to understand the use of LHHW kmetxc model m Aspen
simulator.
The LHHW rate expression is represented by:
(kinetic factor) (driving force)
r = (2 1)
(adsorption expression) .
The kinetic factor (reaction rate constant) has the following form:
'
n
E \ 1 >
K = k exp (2.8)
R T
k To)
If Tq is ignored, Eq. (2.3) replaces the above expression. Note that all the notations
used in Eq. (2.8) have been defined earlier.
The driving force is expressed by:
f N A
n c?
and the adsorption is modelled as:

M
N
nc"J
Li=i
where,
In (Ki) =Ai + Bi/T + Ci IniT) + D.T (2.9)
Here, m is the adsorption expression exponent M the number of terms in the adsorption
,
expression, N the number of components a the concentration exponent,, K2, K, the

equilibrium constants [Eq (2.9)], A,, fit, Q,
.
the coefficients and I Notice that the
concentration term C used in the above discussion is dependent on the [CJ basis Say .
for example when [CJ basis is selected as molarity the concentration term represents
,
,
the component molar concentration (kmol/m3); similarly when [CJ basis is partial
pressure, the concentration term represents the component partial pressure (N/m2).
Providing required data we have the filled kinetic sheet shown in Figure 2.71.
,
,
Click on Driving Force to obtain a blank form as shown in Figure 2.72.

Select 'Term 1' and then 'Molarity' as [CJ basis Under Concentration exponents for .
reactants,
set acetone exponent to 1. Similarly for products set ketene and methane ,
exponents to 0 Also enter zero for all four driving force constants as mentioned in the
.
problem statement (see Figure 2 73). .
In the subsequent step (see Figure 2.74), select Term 2' r

f om the pulldown Enter
term menu Since the given reaction is first-order with respect to acetone
.
and there is
no second term enter zero for all exponents and coefficients Owing to
,
the method .
Aspen Plus uses to specify a reaction, we should insert a very large negative value for
coetticient A (say ,
-106) to make Term 2 essentially zero [see Eq (2 9)1 Finally click ,
on Next icon .
n- .
t* 0m Om Ta«i .av* VMw
-
L T -
I I 'i r-i -I -lei I !«!
3
-~ .
j
.
ii w
, 3
j9
O 'm<iaii '
-
i
*
Zj i am i(t/T«f
lUlllll cuM.
: j
J
.
Zj
a *-
.
j f
. .
- i
D - .
Ml
-
fF II | IWBMM | MlMnpn | Man W I | .W.w.Oa n | Mwwl-i | MB | IMMM |
ItWMn om. ggjl gjj MM. WWI

1IWJ'
<5 l-B
FIGURE 2.71
t
I Mk | - --
WB. B'Mt 'CM Wo. "lac*-
FIGURE 2.72
t* 0m Om Ta«i .av* VMw
-
L T -
I I 'i r-i -I -lei I !«!
3
-~ .
j
.
ii w
, 3
j9
O 'm<iaii '
-
i
*
Zj i am i(t/T«f
lUlllll cuM.
: j
J
.
Zj
a *-
.
j f
. .
- i
D - .
Ml
-
fF II | IWBMM | MlMnpn | Man W I | .W.w.Oa n | Mwwl-i | MB | IMMM |
ItWMn om. ggjl gjj MM. WWI

1IWJ'
<5 l-B
FIGURE 2.71
t
I Mk | - --
WB. B'Mt 'CM Wo. "lac*-
FIGURE 2.72
1
j
-
[-EETEEXSC
Idlbsw I
_
j '.D- o-xr'
-
I
. p feis ep
.
1
BEoJ AG**!
FIGURE 2.73
Rwcaigthsai jVapm
3
Hi
ErteHtrm [l«rm2
.
a
_
j
t(*clartr
Expowii
0
) .
lJ Q
u
_
) Data
a
.
SbMM
F
. p
r'. u co(W,c*»1t A tewrddning low* J«m Ln(ccr.;fanl

"
.
21 - i f/fT
PFS - Ml T SeeHfle
t .
lj Omttry
G
j
.
Ci ytw tyw »fival«n enerw 'a t« Jn poww law wpit
t Win
j
_
u l»
Mom
STRCAHS
BE(M RSfcfa RCSTR
FUin HUM
llQi<to; wcwrtw l j ig ito w J
FIGURE 2.74

The Stoins bar displays a message of Required Input Complete in the bottom i
r ght
comer of the window shown in Figure 2 74. Subsequently run the simulation and obtain .
,
the status report as displayed in Figure 2 75

ASPEN PLUS SIMUUVTION OF REACTOR MODELS 103
_
j r i
_
- -
i-i'
'
nr -i \ m -sw
i --»- tii
'
»**"' I II I -*« -- I . *"l »->
£r <@ 6 S 0 O H U
IIIMH HlK «* Mm ".iril A* Mar
FIGURE 2.75
Viewing results
Pressing Solver Settings knob and selecting i?esw/ s Summary /Streams, we obtain the
final results as reported in Figure 2.76.
i i-liisialiil:
"
1 1 I -i
1 3
r[.- , .... el
_
fami ST
____ -
ifan ur
rzw
'
i
BTTiW I'M
Tivi
'
ii
M- Q . S . § U S U Wii TM- l»-
FIGURE 2.76
Copynghied material
104 PROCESS SIMULATION AND CONTROL USING ASPF.N
SUMMARY AND CONCLUSIONS |

This chapter presents the simulation of several reactor models. Here, we have considered
a variety of chemical reactions in the Aspen Plus simulator. Probably the most useful
kinetic models. Power law and Langmuir-Hinshelwood-Hougen-Watson (LHHW). have
been used in the solved examples. A number of problems are given in the exercise for
extensive practice.
PROBLEMS |
2 . 1 Ethyl acetate is produced in an esteriication reaction between acetic acid and
ethyl alcohol.
acetic acid + ethyl alcohol <-> ethyl acetate + water
The feed mixture, consisting of 52.5 mole% acetic acid, 45 mole% ethyl alcohol
and 2.5 mole% water, enters the RCSTR model with a low rate of 400 kmol/hr at
750C and 1.1 atm. The reactor operates at 70oC and 1 atm. Both the reactions
are first-order with respect to each of the reactants (i.e., overall second-order). For
these liquid-phase reactions, the kinetic data for the Arrhenius law are given below:
Forward reaction: k = 2.0 x 108 m3/kmol - s
E= 6 0 x 107 J/kmol
.
Reverse reaction: k = 5.0 x 107 m3/kmol . s

E= 6 0 x 107 J/kmol
.
[C,l basis = Molarity

Perform the Aspen Plus simulation using the NRTL thermodynamic model and
reactor volume of 0.15 m3 .
2 2 Repeat the above problem replacing RCSTR model by RStoic model with 80%
.
conversion of ethyl alcohol.

2 3 Simulate the reactor (Problem 2.1) for the case of an RGibbs model.
.
2 4 An input stream, consisting of 90 aole% di-tert-huty\ peroxide, 5 mole% ethane

.
and 5 mole% acetone, is introduced in a CSTR at 10 atm and 1250C and a low
rate of 0.2 kmol/hr. The following elementary irreversible vapour-phase reaction
is performed isothermally with no pressure drop.
(CH3)3COOC(CH3)3 C2H6 + 2CH3COCH3
Fake kinetic data for the Arrhenius formula are given as:
k = 1.67 x 104 kmol/m3 s (N/m2)
£ = 85 x 103 kJ/kmol
LCJ basis = Partial pressure

The reactor operates at 50oC and its volume is 6 m3. Using the SYSOP0
thermodynamic method, simulate the CSTR model and compute the component
mole fractions in the product stream.
ASPEN PLUS SIMULATION OK REACTOR MODELS 105
2 . 5 A feed stream, consisting of di-tert-buty\ peroxide, ethane and acetone, enters a

RYield model at 10 atm and 1250C. The reactor operates at 10 atm and 50oC.
Use the SYSOP0 propety method and assume the following component-wise
low rates in the feed and product streams (see Table 2.3).
TABLE 2.3
Component Feed flow rate (kg/hr) Product flow rate (kg/hr)

di-tert-hntyl peroxide 26.321 1 949
.
ethane 0 301
.
5 314
.
acetone 0 581
.
19.94
Simulate the RYield reactor and compare the results (mole fractions in the
product) with those obtained for Problem 2.4.
2 6 As stated in Problem 2.1, the reaction between acetic acid and ethanol gives
.
ethyl acetate and water.

CH3COOH + C2H5OH (-> CH3COOC2H5 + H20
The inlet stream, consisting of 50 mole% acetic acid, 45 mole% ethanol and
5 mole% water, is fed to a REquil model with a flow rate of 400 kmol/hr at 750C
and 1.1 atm. The reactor operates at 80oC and 1 atm. Using the NRTL propety
method, simulate the reactor model and repot the compositions of the product
streams.
2 . 7 Ethylene is produced by cracking of ethane in a plug low reactor. The irreversible
elementary vapour-phase reaction is given as:
C2H6 - C2H4 + Hg
ethane ethylene hydrogen
Pure ethane feed is introduced with a low rate of 750 kmol/hr at 800CC and
55 atm. The reactor is operated isothermally at inlet temperature. The kinetic
.
data for the LHHW model are given below (Fogler, 2005).
k = 0.072 s"1
£ = 82 x 103 cal/mol
Tq = 1000 K
|C,] basis = Molarity
The reactor length is 3 m and diameter is 0.8 m. Using the SYSOP0
thermodynamic model, simulate the reactor.
2 8 Repeat the above problem replacing the PFR by a stoichiometric reactor with
.
80% conversion of ethane. If require, make the necessary assumptions.

2 9 In acetic anhydride manufacturing, the cracking of acetone occurs and produces
.
ketene and methane according to the following irreversible vapour-phase reaction:
CH3COCH3 i CHoCO + CH3

1
In the CSTR model, ketene is decomposed producing carbon monoxide and

ethylene gas. '
K
CH2CO-> CO + 0.5 C2H4
where,
15
, .
'
-
rk = K
26586
K= exp 22.8- mol/lit s . atm15
T
25589
K' = exp 19.62- mol/lit . s
[C,] basis = Partial pressure
Here, -rA is the rate of disappearance of acetone (A), -rk the rate of disappearance
'
of ketene ik), PA the partial pressure of A, and K and K the reaction rate
constants. Pure acetone feed with a flow rate of 130 kmol/hr enters the reactor
at 7250C and 1.5 atm. The reactor with a volume of 1 4 m3 operates at 700oC
.
and 1.5 atm. Applying the SYSOPO base method compute the component mole
,
fractions in the product stream .
REFERENCE |
Fogler ,
H. Scott (2005), Elements of Chemical Reaction Engineering Prentice-Hall of India
,
3rd ed.. New Delhi .

CHAPTER
Aspen Plus Simulation of

Distillation Models
31
.
BUILT-IN DISTILLATION MODELS
An Aspen simulation package has nine built-in unit operation models for the separating
column. In the Aspen terminology, these packages are named as DSTWU, Distl, RadFrac.
Extract. MultiFrac, SCFrac, PetroFrac, RateFrac and BatchFrac. Under these categoies,
several model configurations are available. Note that Extract model is used for liquid-
liquid extraction. Among the built-in column models, DSTWU, Distl and SCFrac
represent the shortcut distillation and the rest of the distillation models perform igorous
calculations.
DSTWU model uses Winn-Underwood-Gilliland method for a single-feed two-product
fractionating column having either a partial or total condenser. It estimates minimum
number of stages using Winn method and minimum reflux ratio using Underwood
method. Moreover, it determines the actual reflux ratio for the speciied number of
stages or the actual number of stages for the speciied relux ratio, depending on which
is entered using Gilliland correlation. It also calculates the optimal feed tray and reboiler
as well as condenser duty. Remember that this model assumes constant molar overlow
and relative volatilities.
Distl model includes a single feed and two products, and assumes constant molar
overlow and relative volatilities. It uses Edmister approach to calculate product
composition. We need to specify a number of stages, e.g. feed location, relux ratio,
pressure profile and distillate to feed iD/F) ratio. Actually, when all the data are
provided, we can use this column model to verify the product results.
rt
RadFrac is a rigorous fractionating column model that can handle any number of
feeds as well as side draws. It has a wide vaiety of appUcations, such as absorption,
stipping, ordinary distillation, extractive and azeotropic distillation, reactive distillation, etc.
MultiFrac is usually employed for any number of fractionating columns and any
number of connections between the columns or within the columns. It has the ability to
simulate the distillation columns integrated with flash towers, feed furnaces, side
107
Copyighted maerial
108 PROCESS SIMUKATION AND CONTROL USING ASPEN
strippers, pumparrounds, etc. This rigorous column model can be used as an alternative
of PetroFrac, especially when the configuration is beyond the capabilities of PetroFrac .
As mentioned earlier, SCFrac is a shortcut column model. It simulates a distillation

unit connected with a single feed, multiple products and one optional stripping steam .
It is used to model refinery columns, such as atmospheric distillation unit (ADU) and
vacuum distillation unit (VDU).
PetroFrac is commonly employed to fractionate a petroleum feed. This rigorous model
simulates the refinery columns, such as ADU, VDU, l f uidized-bed catalytic cracking (FCC)
fractionator, etc., equipped with a feed furnace, side strippers, pumparounds and so on.
RateFrac is a rate-based nonequilibrium column model employed to simulate all
types of vapour-liquid separation operations, such as absorption, desorption and
distillation. It simulates single and interlinked columns with tray type as well as packed
type arrangement.
BatchFrac is a rigorous model used for simulating the batch distillation columns. It
also includes the reactions occurred in any stage of the separator. BatchFrac model
does not consider column hydraulics, and there is negligible vapour holdup and constant
liquid holdup.
It is worthy to mention that for detailed information regarding any built-in Aspen
Plus model, select that model icon in the Model Library toolbar and press Fl.
In this chapter, we will simulate different distillation models, including a petroleum
refining column, using the Aspen Plus software. Moreover, an absorption column will
be analyzed. In addition to the steady state simulation the process optimization will
,
also be covered in the present study.
3 .2 ASPEN PLUS SIMULATION OF THE BINARY DISTILLATION

COLUMNS
32 1
. . Simulation of a DSTWU Model
Problem statement
A feed stream, consisting of 60 mole% ethane and 40 mole% ethylene enters a DSTWU
,
column having a flow rate of 200 Ibmol/hr at 750F and 15 psia This feed is required to
.
fractionate in a distillation column capable of recovering at least 99 6% of the light key

.
component in the distillate and 99 9% of the heavy key component in the bottoms. The
.
sample process operates at 300 psia with zero tray-to-tray pressure drop The pressure
.
in the reboiler as well as condenser is also 300 psia In the simulation, use total
.
30 theoretical stages (including condenser and reboiler) and a total condenser Applying .
the RK-Soave property method simulate the column and calculate the minimum rel
, f ux
f ux ratio minimum number of stages actual number of stages, and
ratio, actual rel ,
,
feed location.
Simulation approach
From the desktop select Start button and then click on Programs, AspenTech, Aspen
,
,
Engineering Suite Aspen Plus Version and Aspen Plus User Interface. Then choose
,
Template option in the Aspen Plus Startup dialog and hit OK (see Figure 3 1). .
ASPEN PLUS SIMULATION OF DISTILLATION MODKUS 109
Q\a\m -I -I |r| <ri q-r-mi .l-Kl!d 2) I I l gj J -
I ' l-l-l I- 1 1 I
-
I ! 1-1
FIGURE 3.1
Select General with English Units as the next window appears (see Figure 3.2).
.
4./
MM
-
Hi . -
...
mm ...
__
l
FIGURE 3.2
C aterial
Again press OK to see the Connect to Engine dialog (see Figure 3.3). Here we choose
T,ocal PC by scrolling down. Hit OK knob and move on to develop the process flow diagram .
Connect to Engine a
Server type:
User Info
Node name:
User name:
Password:
Working directory:
Save as Default Connection
( OK 1 Exit Help
FIGURE 3.3
Creating flowsheet
As we select Columns tab in the bottom Model Library toolbar (Figure 3 4), Aspen Plus .
shows all built-in column models.
«a 6t Mr- 0*s r
locii Rfi Rewhat Ltrary Wxto- H«fc>
Model Library toolbar

f EAMS
Stt 1 DiTVU Ci-J R»fEjJikI M tfug Sffru r .te
PWtf Rurf- Bwctfi -
FIGURE 3.4
ASPEN PLUS SIMULATION OK DISTILLATION MODELS 111
In the next, select DSTWU icon to represent the short-cut distillation process.
Once we have selected the icon, place the icon on the lowsheet by clicking with the
cross-hair somewhere on the lowsheet background. When inished, click on K | symbol
or ight-click on the lowsheet background. By default, the column is named as Bl
(see Figure 3.5).
i\n 'amiami I
Hi tM Dn <oaa 'hr nann lw -«
Dagyai aial id g] aifici K!--! "i i |m| ! v\ *\

r|rrFf,.|..|..h HT 'MPl I Bl -fW
UJ -
iT
_
-
CH
"SAW. ' DIIMI Out "*l<m 1M MfMi IW l*. ..
i c-.i C- a'aMAcwi a IM AM ru- MMC*
FIGURE 3.5
In the screen, shown in Figure 3.5. only the block is displayed; there are no incoming
and outgoing streams connected with the block. Therefore, the Status message in the
bottom right of the window includes Flowsheet Not Complete. Interestingly, after
connecting all required streams with the unit, this message sometime may also be
retained. This happens because of improper flowsheet connectivity.
To add a single feed stream and two product outlets (distillate and bottom), click on
Material STREAMS tab in the lower left-hand corner. As we move the cursor
(a crosshair) onto the process lowsheet, suddenly three red arrows and one blue arrow
appear around the block. These arrows indicate places to attach streams to the block.
As we know, red arrows are required ports and blue arrows are optional ports. Click
once on the connection point between the feed stream and the DSTWU block, enlarge
the feed line and finally click again. By default, this stream is labelled as 1. In the
similar fashion, we can add the two product streams, namely 2 and 3, to the distillation
unit (see Figure 3.6).
Copyrighted malarial
He EA V«* data Tooti Rr. Ftowf

t iM Ut-av Wtxfaw H«to
rlRFi-|...httt lT 1 irol I - lal 1

~
0 -
&
Ul . J
filf Mewt/SpUeu 1 Stpaatai | HwlEMhangwt Ci
r umn* j ReKloit | PrwawOiangsi | MsripuWwi | SoW« | UMtMwWt j
STREAMS ' DSTWU Dntl Rrfisc EntisO Muftw; SCFiac PeOoFi Ratrf.ac BWchFiac
Book rflOflCfcrJ-
FIGURE 3.6
After renaming Stream 1 to F, Stream 2 to D, Stream 3 to B and Block Bl to

DSTWU, the flowsheet finally looks like Figure 3.7.
fte EiJI «ew OKa Tocti f**i fe

t «h«i Uxsy Wndm. H-t
MiBl alal lei 1 ni-rlftl Nkl H li! -

t
0 O
E -
STREAMS
'
DSVM Rrf(»e E**d MtAffc SCfttc PMcfiae RjuF.ic Eatcfr
.. , - ~r IR Wfc. nR*!!!
. MUM TW*o
'
.
Vn fco- I Qw i W l- O il W l UN T * || A -a .
FIGURE 3.7
ASPEN PLUS SIMULATION OF DISTILLATION MODELS 113
Now the Status bar in the window, shown in Figure 3.7, says Required Input
Incomplete indicating that the lowsheet is complete and the input specifications are
required to provide using available input forms for running the Aspen simulator.
Recall that within the Aspen simulation sotware, the simplest way to find the next
step is to use one of the following equivalent commands:
(a) press the Next button

(b) ind 'Next' in the Tools menu
(c) use shortcut key F4
and obtain Figure 3.8.
mF-M-i-i nr 'i -ici \-\m
0
-
-
c-Q-
D«pr, rce rout to**'
3 I
HmnnUBmt | VwMdi | HMUOwpn fil | Rmckb | Pm*j*0««Bi | Mar«i«Mn | iota | UwMolM
STRUMS ' DSrwU Pit Wi we 1*1 tOit WtwT Wafwe jtjjjg
| *,0-H-» Wot I tJO t toM I <]OmH»1 Mnw |aj<i»Oto»»« || AvxfV S~ Qlf. t*9t
FIGURE 3.8
Hitting OK on the above message, we obtain the setup input form. Alternatively,
select Solver Settings knob and choose Setup /Specifications in the list on the left
(see Figure 3.9).
Although optional, it is a good practice to ill out the above form with a title and to
provide the accounting information subsequently. The present project is titled as
'
Simulation of a Shortcut Distillation Column' (see Figure 3.10).
Sid
oltflBl A t Nel tfl rahclfc l lwl n J 21 JiJilJ zJ 2l J ©1
L r i-i
_ _
rv 'I -ipi i w
I "'M'.
'
SintMC WIMAJ Cxi Brf.K MiJtfue 5Ct'«c Pk. i t
f ttrfii Bf
r .»f«:
FIGURE 3.9
3Mbl JMlJiilF Bid LJ
_
J W«w
i (Mi
" -
I 3
= 3 EOCsn.C«n
'*
,
7 '*"' I ""I 1 -TO- I Mrow<w I Sold: t UtvUaMt (
FIGURE 3 10 .
In the next (see Figure 3 11) the Aspen Plus accounting information (required
.
some installations) are given in the following way.

User name: AKJANA
Account number: 9
Project ID: ANY ID
Project name: YOU CHOOSE
ASPEN PLUS'" SIMUI-ATION OF DISTILLATION MODELS 115
.
l\ I r",
9 -
'
3f
a) -.
a mi
5!
) MB I - - - I
1 nlVI M (M* <M»_ fMa WlB Ir- .
FIGURE 3.11
We may wish to have stream results summarized with mole fractions and/or some
other basis that is not set by default. For this, we can use Report Options under Setup
folder. In the subsequent step, open Stream sheet and then choose 'Mole' fraction basis.
In this regard, a sample copy is shown in Figure 3.12. although this is not essential for
the present problem.
i-d 3-J-itiiJa.ii
0 -»
P <* ' i PBS .* luiTi 3
1 .«*>*>
FIGURE 3.12
116 PROCESS SIMULATION AND CONTRQLUSING ASPEN
Use the Data Browser menu tree to navigate to the Components/Specifications/
Selection sheet (see Figure 3.13).
«t W DM T«ii tf *. PW to¥ i HHP

. . .
-
. :
1 J
ComiKifun" WTO FamO)

Caww*iD
.
5 Drill-id!
Uyr-End Pmpoit
rHudocariiMW
ti aeehi
iO II SiiKi ait to tr rMneved Itom dsiatw* J. et

r e< C<m(rt<*fK Haw « f om-ia SteHdp
O ,
[if Mtw SpUen | S«p»*« | HealEtt JiWBen Cohmnt } flwcto« 1 P-essueO owt | MwpuWWi | Sae
t | Ua
r M«W. j
STREAMS 1 OSTWJ Drti Et

r aO Mutfrac
'
- U * PatftFi ? Rahjiac BalchFrae
Sr«*,B«.ft
-
r:siHa-Ai>i,ivini1
FIGURE 3.13
In the window, shown in Figure 3.13, the table has four columns; they are under
the headings oi Component ID, Type, Component name and Formula. Among them, the
Type is a specification of how an Aspen software calculates the thermodynamic
properties. For fluid processing of organic chemicals, it is generally suitable to use
Conventional optiom Remember that component ID column should be i f lled out by the
user. A Component ID is essentially an alias for a component It is suff i cient to use the .
chemical formulas or names of the components as their IDs On the basis of these .
component IDs, Aspen Plus may spontaneously fill up the Type Component name and
f T haPPen' * that AsPen Plu« to find an eXaCt
,
mateh in
lt}lhrATyin °*er words A«Pen Plus does not recognize the components by
0 0 Search the components Select the components rf om
'
T86 fj!? .
in
Subsectiri 3 detaiIs See the solution aPProach '
IDs
(see lfir COmPonent hane and ethylene, as thefr
3.14). ThefootherT
6 0f
(see Figure three columns have been automatically filled out. i
tZSlTjiT j11'1!!?68 I?0118 meth0ds *** mod to compute the phy

0ht th? Pr0Perty input f0rm er hit Next icon or choos
e
Pron l i2cations in the letf pane of the Data Browser window

Propernes/Specif .
'
.
Set RK-Soave
property method by scrolling down (see Figure 3.15).
ASPEN PLUS SIMULATION OK DISTILLATION MODELS 117
..i-j ;
3 .
FIGURE 3.14
3S3
Plata l I wi Qb3Mslllid5d 3
I r-l I..|-f7 .: .id ! '« -It
zsjti D»ld -3l alig|g|
» BS aJ
9 -
i ! r
-
FIGURE 3.15

The Streams /F/Input / Specifications sheet appears with the Data Browser menu tree
in the let pane (see Figure 3.16). Here, we have to provide the values for all state
variables (temperature, pressure and total flow) and composition (component mole
fractions).
118 PROCESS SIMULATION ANnCO TROLJ-JSING ASPEN'
Ffe til '. Tut. Teal, r-m FW limy Wr*« H*
i r - I .i-l rv . j J-Igl M.
mm m
.
J PltKTMM 21
-
a) enjr,h«»caa r f THWIE
|pmtu«
-
-
:
RK£6'J1 ;
l
nrtxu i
ri UNKK Owe-
rj um(KO j>(
m i
1
111' if
1 MJflK SCFlK PWoF E.- --" B-r*f,»-

5TR£JWS 1 DSTWU - < -
FIGURE 3.16
Filling out the form, shown in Figure 3.16, with the data given in the problem
statement, one obtains the data, shown in Figure 3.17.
.
He Ed! Vc« a
t ta Took e
f > FM Ltrary M*km -i*
3Mi
.
J/) sT»*r. M«hoC ] EOOpbora |
Conmotnon
-
g , - .-
| Mole f-*: 3r
h Corrconan
2
-
|Pini«o IS
RXSBU-1
[is 04
RKTKUI
Q E*anM*To-is
1J «.
.
_
j «.w
lew [T
ll _
-
o ~*
SIB6W6 : bStWU
i
J- «.
! »2l
FIGURE 3 17 .

iw t Sfn t
a DianK block input form is displayed (see Figure 3.18). under Blocks folder. As a result.
FIGURE 3.18
Under Column specifications option, here we enter the number of stages that is 30.
It is fairly true that we can alternatively specify the reflux ratio when the number of
stages is asked to compute. Note that ethylene is the light key and naturally ethane is
the heavy key. As mentioned in the problem statement, recovery of the light key
component in the distillate (= moles of light key in the distillate/moles of light key in
the feed) is 0.996 and recovery of the heavy key component in the distillate (= moles of
heavy key in the distillate/moles of heavy key in the feed) is 0.001. In addition, the
pressure of the total condenser and reboiler is given as 300 psia. Entering all these
information, one obtains the result, shown in Figure 3.19.
i f l-l
- t' 1
-
I
,,
t
--
|
- o
-
FIGURE 3.19
CopynghlGd maerial
FIGURE 3.18
Under Column specifications option, here we enter the number of stages that is 30.
It is fairly true that we can alternatively specify the reflux ratio when the number of
stages is asked to compute. Note that ethylene is the light key and naturally ethane is
the heavy key. As mentioned in the problem statement, recovery of the light key
component in the distillate (= moles of light key in the distillate/moles of light key in
the feed) is 0.996 and recovery of the heavy key component in the distillate (= moles of
heavy key in the distillate/moles of heavy key in the feed) is 0.001. In addition, the
pressure of the total condenser and reboiler is given as 300 psia. Entering all these
information, one obtains the result, shown in Figure 3.19.
i f l-l
- t' 1
-
I
,,
t
--
|
- o
-
FIGURE 3.19
CopynghlGd maerial
120 PROCESS SIMULATION AND CONTROL USING ASPKN'

The Status message includes Required Input Complete indicating that we are in a positio n
to run the simulation. Simply press Next button and receive a message regarding th e
present status (see Figure 3.20).
fiT TTJ
[30 jgi i Cm*

Jj UkifIC Gkc f oW
i I ]300
r
KiHictoipooet
.
s*.
Com [ETMYLEHE
Smm
itjucioMtiTCienpu Totftw- x*npu «c t *n

f cC*wM t
flBMy: [0 0C1
E0V»Mblw
_
33 Dsmni
a -
Q Be-* C-pua-i
Mb
STRWMS
FIGURE 3.20
Click OK on the above message and obtain the Control Panel window that shows
the progress of the simulation (see Figure 3 21). .
f ««
F»» Ee £to T«* An iMy -AWto* -
H*
]aj®iJ i£ll w| KHIMKI h>\ 0 >Nh| *i lacal

-
*bs atrsitrro rkx sot iabli taw
-
EH
HUM
f t -. I
i
FIGURE 3.21
ASPEN PLUS SIMU1.ATI0N OF DISTILLATION MgggUj 121
Hitting Next followed by OK, we have the Run Status screen (see Figure 3.22).
_
i r -i
_
rr .i.ipi i ibi
-
.
f
HMf
mutt WIWW (M fMF(« iMMO *fik SOik i*fi«
HH-'Ici '*. .
FIGURE 3.22
Viewing results
In the next, select Blocks/DSTWU/Results rom the Data Browser. In the following
(Figure 3.23), we get the answers as:
Minimum relux ratio = 7.724
Actual reflux ratio = 8.751
Minimum number of stages = 33.943

Actual number of stages = 67.887
Feed location = 40.417
Save the work by choosing File I Save As /... in the menu list on the top. We can name the
t
ile whatever we like. Remember that a backup ile (*.bkp) takes much less space than
a normal Aspen Plus documents ile (*.apw).

If we wish to have the input information, press Ctrl + Alt + I on the keyboard or select
Input Summary from the View pulldown menu (see Figure 3.24).
Copyrtghtod maerial
dim
-
-
i 'j-i
.
r
I r..|-M= IT -i .iai, I ibi
i a SH
r
-
1S?497652
»3*J12.;3 Br.il.
-
ifM IM|NMM f
0399
HE IP
STREAMS DSmj OaK Hrf.K F M HJf

t iflC SCR PeMFmc Wtfwc BteW,*
sti| s
'
_
I Oa j-WWtW Awcn PIl» - Static Q G9«
FIGURE 3.23
'
lalxt
i Edi Font \kB '
irpuc SuwMry creic«d by Aspen Plus Bel. 11 .

1 at 10:15:40 Tho Jol 12, 2007
Directory c:\Pr09ran f nes'.Aspenrechvworklng
working foIi
FoldersVupen plus 11.1
.
Fllenw c :\users\4kjana\AppMt«\Local\Te«p- ap6336. trt
~
[TITLE 'SinulatiorL of 3 Shortcut Cist Illation column'

I-UNITS EPXC
Ikf-STREjWS COMVEW ALL
besci
f iPTiON -
Central simulation with Eoallih units :
F. psl, Ib/hr Ibool/hr, Btu/hr. coft/hr.
,
property Method: nort
Flow basis for Input: Mole

Strea* report composition: HoU flow
PSOP-SDUSCES PUHEll
C0KPOMEKTS
ETHANE C2H5 /
ElKfLEKE C2H>
PROPERTIES Pk-SOAVE
PROP-OATA RirSKD-l
IH-W.ITS ENC
PROP-LIST BKSKI3
BPVAL ETHANE ETHYLENE . OlOOMOfiJO
BPVAL ETMYLENE ETHANE .0100000000
iTREW F
S085TRE»t fIXEO TEKP"' 5. PRES-1S t«0LE-FLOW-200 .
.
M016-FRAC ETHANE 0.6 - ETWlENt 0 4 ,
-
»± | <1A
.
.1I.». |Hn««»|.« | Mj ynn | |
FIGURE 3.24
Creating report file

To create a detailed report on the complete work we have done including input ,
summary, stream information, etc., select Export from the File pulldown menu. Then
save the work as a report file (e.g., C/Program Files/AspenTech/Working Folders/Aspen
Plus Version/ DSTWU.rep). In the next, open the saved report if le (DSTWU.rep) goingd
through My Computer and if nally using a program, such as the Microsoft Office Wor
or WordPad or Notepad. For the present problem, the i
f nal report is shown below.
ASPEN PLUS IS A TRADEMARK OF HOTLINE:

ASPEN TECHNOLOGY, INC. U S A 888/996-7001
. . .
TEN CANAL PARK EUROPE (32) 2/724-0100

CAMBRIDGE, MASSACHUSETTS 02141
617/949-1000
PLATFORM: WIN32 JULY 12. 2007

VERSION: 11.1 Buiid 192 THURSDAY
INSTALLATION: TEAM EAT .
12:07:22 P.M.
ASPEN PLUS PLAT: WIN32 VER: 11.1 07/12/2007 PAGE I
SIMULATION OF A SHORTCUT DISTILLATION COLUMN
ASPEN PLUS (R) IS A PROPRIETARY PRODUCT OF ASPEN TECHNOLOGY. INC.

(ASPENTECH). AND MAYBE USED ONLY UNDERAGREEMENT WITH ASPENTECH
RESTRICTED RIGHTS LEGEND: USE, REPRODUCTION. OR DISCLOSURE BY THE
U S GOVERNMENT IS SUBJECT TO RESTRICTIONS SET FORTH IN
. .
(i) FAR 52.227-14. Alt. Ill, (ii) FAR 52.227-19. (iii) DEARS
252.227-7013(cMl)(ii). or (iv) THE ACCOMPANYING LICENSE AGREEMENT,
AS APPLICABLE. FOR PURPOSES OF THE FAR, THIS SOFTWARE SHALL BE DEEMED
TO BE "UNPUBLISHED" AND LICENSED WITH DISCLOSURE PROHIBITIONS.
CONTRATOR/SUBCONTRACTOR; ASPEN TECHNOLOGY. INC. TEN CANAL PARK.
CAMBRIDGE. MA 02141.
TABLE OF CONTENTS
RUN CONTROL SECTION

DESCRIPTION
FLOWSHEET SECTION 2
FLOWSHEET CONNECTIVITY BY STREAMS 2
FLOWSHEET CONNECTIVITY BY BLOCKS.. 2
COMPUTATIONAL SEQUENCE 2
OVERALL FLOWSHEET BALANCE 2
PHYSICAL PROPERTIES SECTION 3

COMPONENTS 3
U-O-S BLOCK SECTION i
BLOCK: DSTWU MODEL: DSTWU 4
STREAM SECTION 5
EOF 5
PRORT.RM STATUS RfTnTION

ninr,K STATUS
ASPEN PLUS PLAT-WIN32 VER- 11 1 07/19/9007 PAGF/1

SIMULATION OF A SHORTniTT DISTTT.T.ATION COLUMN
RUN CONTROL SECTION
THIS COPY OF ASPEN PLUS LICENSED TO
TYPE OF RUN: NEW
INPUT FILE NAME: _

00341ji.inm
OUTPUT PROBLEM DATA FILE NAME: _

00341ji VERSION NO 1
.
LOCATED IN:
PDF SIZE USED FOR INPUT TRANSLATION:

NUMBER OF FILE RECORDS (PSIZE) = 0
NUMBER OF IN-CORE RECORDS = 256
PSIZE NEEDED FOR SIMULATION = 256
CALLING PROGRAM NAME: apmain

LOCATED IN: C:\PROGRA~l\ASPENT~l\ASPENP-l l\Engine\xeq
.
SIMULATION REQUESTED FOR ENTIRE FLOWSHEET
DESCRIPTION
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

FLOWSHEET SECTION
FLOWSHEET CONNECTIVITY BY STREAMS
STREAM SOURCE DEST STREAM SOURCE BEST

F DSTWU D DSTWU
B DSTWU
FLOWSHEET CONNECTIVITY BY BLOCKS
BLOCK INLETS OUTLETS

DSTWU F DB
COMPUTATIONAL SEQUENCE
SEQUENCE USED WAS:

DSTWU
ASPEN PLUS SIMUIAT10N OF DISTILLATION MODELS 125
OVERALL FLOWSHEET BALANCE

CONVENTIONAL COMPONENTS (LBMOIVHR)
ETHANE 120.000 120.000 0 000000E+00
.
ETHYLENE 80.0000 80.0000 0 000000E+00

.
TOTAL BALANCE
MOLE( LBMOIVHR) 200.000 200.000 0 000000E+00
.
MASS(LB/HR) 5852.66 5852.66 -0 155399E-15

.
ENTHALPY(BTU/HR) -0.252753E+07 -0.363687E+07 0 305025

.
ASPEN PLUS PLAT: WIN32 VER: 11.1 07/12/2007 PAGE

PHYSICAL PROPERTIES SECTION
COMPONENTS
ID TYPE FORMULA NAME OR ALIAS REPORT NAME

ETHANE C C2H6 C2H6 ETHANE
ETHYLENE C C2H4 C2H4 ETHYLENE

U-O-S BLOCK SECTION
BLOCK: DSTWU MODEL: DSTWU
INLET STREAM: F
CONDENSER OUTLET: D
REBOILER OUTLET: B
PROPERTY OPTION SET: RK-SOAVE STANDARD RKS EQUATION OF STATE

TOTAL BALANCE
MOLE( LBMOIVHR) 200.000 200.000 0 000000E+00
.
MASS( LB/HR) 5852.66 5852.66 -

0 155399E-15
.
ENTHALPY(BTU/HR) -0.252753E+07 -0.363687E+07 0.305025
* * INPUT DATA *** .

HEAVY KEY COMPONENT ETHANE
RECOVERY FOR HEAVY KEY 0.00100000
LIGHT KEY COMPONENT ETHYLENE
RECOVERY FOR LIGHT KEY 0.99600
TOP STAGE PRESSURE (PSI) 300.000
BOTTOM STAGE PRESSURE (PSI) 300.000
1"
NO. OF EQUILIBRIUM STAGES 30.0000

DISTILLATE VAPOUR FRACTION 00
.
* ** RESULTS ***
DISTILLATE TEMP. (F) -18.3114

BOTTOM TEMP. (F) 20.4654
MINIMUM REFLUX RATIO 7.72431
ACTUAL REFLUX RATIO 8.75092
MINIMUM STAGES 33.9434
ACTUAL EQUILIBRIUM STAGES 67.8868
NUMBER OF ACTUAL STAGES ABOVE FEED 39.4169
DIST. VS FEED 0.39900
CONDENSER COOLING REQUIRED (BTU/HR) 3,034,310.
NET CONDENSER DUTY (BTU/HR) -3,034,310.
REBOILER HEATING REQUIRED (BTU/HR) 1,924,980.
NET REBOILER DUTY (BTU/HR) 1,924,980.
ASPEN PLUS PLAT: WIN32 VER: 11.1 07/12/2007 PAGE

STREAM SECTION
BDF
STREAM ID B D F
FROM: DSTWU DSTWU
TO : DSTWU
SUBSTREAM: MIXED
PHASE: LIQUID LIQUID VAPOUR
COMPONENTS: LBMOL/HR
ETHANE 119.8800 0 1200
. 120.0000
ETHYLENE 0 3200
. 79.6800 80.0000
COMPONENTS: MOLE FRAC
ETHANE 0 9973
. 1 5038-03
. 0 6000
.
ETHYLENE 2 6622-03
. 0 9985
. 0 4000
.
TOTAL FLOW:
LBMOL/HR 120.2000 79.8000 200.0000
LB/HR 3613.7256 2238.9320 5852.6576
CUFT/HR 140.3489 82.0590 7 5963+04
.
STATE VARIABLES:
TEMP (F) 20.4654 -
18.3114 75.0000
PRES (PSI) 300.0000 300.0000 15.0000
VFRAC 00 00
.
. 1 0000
.
LFRAC 1 0000
. 1 0000
. 00
.
SFRAC 00 00
.
. 00
.
ENTHALPY:
BTU/LBMOL -
4 1532+04
.
1 6983+04
.
-
1 2638+04
.
BTU/LB -
1381.4403 605.3231 -
431.8608
BTU/HR - 4 9921+06
.
1 3553+06
.
-
2 5275+06
.
ENTROPY:
BTU/T.RMOL-R -
58.6713 -
30.5758 -
28.8269
BTU/LB-R -
1 9515
.
-
1 0898
.
-
0 9851
.
DENSITY:
LBMOiyCUFT 0 8564
.
0 9725
.
2 6329-03
.
LB/CUFT 25.7482 27.2844 7 7046-02

.
AVGMW 30.0643 28.0568 29.2633

PROBLEM STATUS SECTION
BLOCK STATUS
* *
*
Calculations were completed normally *
*
All Unit Operation blocks were completed normally *
« *
*
All streams were lashed normally *
« #
322
. . Simulation of a RadFrac Model
Problem statement
We will continue the above problem with few modiications. A hydrocarbon stream,
consisting of 60 mole% ethane and 40 mole% ethylene, enters a RadFrac column having
a low rate of 200 Ibmol/hr at 750F and 15 psia. The distillation process that has total
68 theoretical stages (including condenser and reboiler) and a total condenser operates
at 300 psia with zero pressure drop throughout. The distillate rate, relux ratio and
feed tray location are given as 79.8 Ibmol/hr, 8.75 (mole basis) and 41 (above-stage),
respectively. Consider the RK-Soave property method.
(a) Simulate the column and compute the compositions of top as well as bottom
products.
(b) Is there any discrepancy in product compositions obtained rom RadFrac and
DSTWU columns? If yes, what is the main reason?
Note: In the comparative study (for part b), consider total 68 theoretical stages (including
condenser and reboiler) keeping other entered data unchanged for the DSTWU column
(see Subsection 3.2.1).
Simulation approach
(a) Start with the General with English Units Template, as shown in Figures 3.25(a)
and 3.25(b).
I I
FIGURE 3.25(a)
Click OiiTin the screen, shown in Figure 3.25(b). When the Connect to Engine dialog
pops up, again press OK button to obtain a blank Process Flowsheet Window.
FIGURE 3.25(b)
Creating flowsheet
Among the built-in columns in the Model Library of Aspen Simulator select RadFrac
,
and place it in the flowsheet window .Connecting feed, distillate and bottom product
streams with the distillation column ,
and changing the default names of the block and
all streams, finally we get Figure 3 26.
.
r|gf7-| .|..|' pr .
1 -tCi i iw IH
t 13 0
sne»i muu am im mj** ujw
- J r- -
<
trf
FIGURE 3.26
Configuing settings
In the subsequent step, simply hit Aet button followed by OK to open a setup input
form. These two windows, shown in Figures 3.27(a) and (b), include the Global and
Accounting information for the present project.
. % fa M» Dm tM» * imh n m n*
9 i"-
- . I - 11 - I
9
i ii
-
3 >- w.
0 -
ITOf Mr. '

MIUU Da oM IM*a «0<a Nafw ..MciAB
FIGURE 3.27(a)
JaglHl f KM 1 til .]J_nJ juJ

:| Mftl yJ nWko 1 1 ill
Skv
iwi-s«i
O MET US YOU UKE

O METCif AR
fl METCMGCM
f> 5V-C6AH
Sttwrnf
v a
*
Flo»*e«btf g Opbon*
ft-1 a MoM ,1-! Took
4 Gfl
i 2Jil
STREAMS DSTWU Dim r t«c

Rf E- ad Muffnc SCFfac PaBcfiae Ratftac t rac
Batef
farHaip.pMn
r H A xn Pkj. - SM«i
t «rfi Wtt
| .si) Chapter 3 ttowJWcir | 4]Q>«pMf2-lo . fi'"
FIGURE 3.27(b)
In the Setup/Report Options / Stream sheet select ,

ole' as well as 'Mass' fraction
basis as shown in Figure 3.28.
.: fib b« on To* n« u»v rnvhw Hdp
r Uhv R 1 >IB3|- . { lal

0 Becwrt Opdcro UMbl'1 -I -3>>JialajNil
i t tt««t j Btaek Vsi»m} Proper j ADA |
G«mi4 I Fa
; H«MtebancUWinsD««nMpwl
f ubwit
Fa FiMjonbMa ShWDfamM -
j f? Mote P Moio ; tff- [geTTe

r mm ' P S»S t nt
Iff Si«ndsd(BOoca
'
T SUHovcAjw r SUi viAm ; r WUaPBcoUw)

i jjj Bock. _ t wwKw*
1 P SoK-rewaf
f MoftKlnn
K ConpoAMvAwet
r wiw*
Wo«tWu.iat
MOM
* tWSrtten | S Mtatt | HMEwhangm
SIRCMC <i-t-o:-§-iv-(i..#.c-r-
DSTMJ
' DSTMl f ag r
Af E*ao. SCf >1>rf f
l .ac e IK
FIGURE 3.28
f , choose Components /Specifications to define the components.
In the list on the let
f lled
Using the component names, ethane and ethylene, as their IDs, we obtain the i
table as shown in Figure 3.29.
=W 54 *» :«> T FV« itun Wr*s-
-
r-i-i-i -
i .w i -igi *m
3a !«
Mn*
;lrM*N£ cats
.IHYUNC
>
O si
o ,.
-
r nc
Pttf R«rfW:: B«ct#.*;
FIGURE 3.29

From the Data Browser select Specii
f cations under Properties folder and then set RK-
,
Soave base method to compute the physical properties (see Figure 3 30). .
' Fit CM
0|<*|H| - ;
>I>'.|--|T »MBJ|v
.
mrai J «J|a.
3
B«i«»a(tw6 fflr.SOAVt
.
- - r 1 J
OwoCTylO j
IJ .
It
5T««)J ' OSTWU
FIGURE 3.30

Use the Data Browser menu tree to navigate to the Streams /F/Input / Specifications
sheet. Inserting the given values for the feed stream, Figure 3.31 is obtained.
r -
itfi>t|
3EfSiF -q l-li Fi-Hid QUIH
3 |m* dr
it ,
(200 jbrt*.
1j
1 Hm(t jr r: CMlma | FtMcicn | RMMfOungett | Htrie-Mm \ Sie

t J UtftKoM |
Ejiki Mulfia: SCFlK FmfiK PmfiiK 9*0*1*:
FIGURE 3.31

In the left pane of the Data Browser window select Blocks/RADFRAC/Setup. Fill up ,
the Configurait on sheet as shown in Figure 3 32. .
Sa To* Rn Pa te
f a/ WMw Help
I r.-.|-.i-l fT Nv i 11] isN

3
g BO VMbki
a «*
H*o4erHcuv*i
7]F 1 ?98 (trrotA,
O Dwt i
- Ha
FIGURE 3.32
Under Setup subfolder, the filled Streams sheet looks like Figure 3.33.
i 'to
. 1 « «!«.;
> | | MB I M»» |
it r
-
FIGURE 3.33
In the next, simply input 300 psi under Stage 1/Condenser pressure. Aspen simulator
assumes that the column operates isobarically if no additional pressure information is
provided (see Figure 3.34).
IB I' W tl*)
i:.,ir.ir.ii.0.ii'.fi..#.s .j-.
FIGURE 3.34

To run the simulation, hit Next and then OK to observe the progress of the simulation
in the Control Panel window, shown in Figure 3.35.
Under Setup subfolder, the filled Streams sheet looks like Figure 3.33.
i 'to
. 1 « «!«.;
> | | MB I M»» |
it r
-
FIGURE 3.33
In the next, simply input 300 psi under Stage 1/Condenser pressure. Aspen simulator
assumes that the column operates isobarically if no additional pressure information is
provided (see Figure 3.34).
IB I' W tl*)
i:.,ir.ir.ii.0.ii'.fi..#.s .j-.
FIGURE 3.34

To run the simulation, hit Next and then OK to observe the progress of the simulation
in the Control Panel window, shown in Figure 3.35.
n* E# M«m Dal* Toch ft* Utrvy WMdaw M*.

I l"l "li-dail 4;|
l i-.i T ai Jfilp
~
_.
iJ -
-* Hao«Miafl input «p«cl<tCiti.4B* ...
Ml JSTt
f llVtO fSON 3 Or tABLt IAELE tIAJa - KJWSTD
owpotatiom owata ro> tmi jiowshmt;
-
>C«lcaJ.«ttQn» t»«in . . .
Block: aAcrajkC «<mui raofsac
IS LOHM THM( JTXGJ *1 MKMVM D.7O*i«*07 (H/SSW1
Coif/«cg*ni
f » iearttlOK*:
01 KL IL Sce/Tol
ill Eo.oas
a i j U.m
J 13 7.oc«a
4 1 « i.73*fr
5
.
.
i : i o.i6a»7i-ai
lli>ra»l
STREAMS PSTWU Dirf Radfw , lAaci MUtfxic; SCFuw fahoFrac Ratrffac Batetfrac __
_
FIGURE 3.35
Viewing results
Click on Solver Settings followed by Results Summary and Streams, we have the table,
shown in Figure 3.36, accompanying the results of all individual streams. Save the
work in a folder as a ile.
j He Ed) Urn Curt TooU Ron Plot Ifinry WndoM l-<*
JjlJ 121 1 1*1

_
da)
3Mbl ±l±l«jPi-H JMaljjj
3 Sii.i»I«e|
J CcnvOotcm
~ 1 i i
" 1
l»316 8 078 7*1154

J982 13i5 752(1
|te.fr«:
OS* Um 0517
"
TTfhUNE QOQi 0995 0383

ComOnta
tiHiilt 11371! 120«(«

'
CTHYIENC 0498 73512 man)
EIHAHE 0 336 bou oeao

EIHYUNE 00M 03»
- cx.magt
t gicffTr-wi
FIGURE 3.36

Select Input Summary rom the View dropdown menu to obtain all input information
of the present problem (see Figure 3.37).
ire«.i uiu-y itHin bv up*- »lia .>. It.I « ll.'S'l* Sal ).i 11, 00'
Olr.ciory I Pro m (tin -Oin! .s't-t .ic.r Hut II. 1
Tin* 'SII»l1»T*("i .* UlM'M ts'w*
I-IIUVI CVfllD ILL
.ccolvi.ii>o xcow-io .Mie'-io-un 10 t
cavit 'i-. ill- - '- i-.'iM' .. :, ;

a. B»«. fV*r> ll-al Kr. Hh.Vt , c H.O,
Ml> 'w live ">!.

'nari (oiMitilax: Mil flo"
Miiauas main unimi yxio- ikkmiu 4
tiHu« ei-» -
rmkM C!"
W'OITl Ultll'l
HWii ill wii:i

CfWuM EIMK .oio»Xo<»:
MCKMI VMB VMIK fi "IWl, ««ll "iw-.'OC.
1 ..
.
FIGURE 3.37
Results of the RadFrac column
TABLE 3.1
Composition (mole fraction)

Component B D
ethane 0 996
.
0 004
.
ethylene 0 004
.
0 99G
.
Results of the DSTWU column
TABLE 3.2
Composition (mole raction)
Component B D
ethane 0 997
.
0 002
.
ethylene 0 003
.
0 998
.
From Tables 3.1 and 3.2, it is obvious that there is a little difference between the
product compositions. However, the main reason behind this fact is that the RadFrac
performs rigorous calculations, whereas the DSTWU is a shortcut model. Another
possibility is the round-off error associated in the reflux ratio and feed tray position.
Copyrighled malarial
'
3 .
3 ASPEN PLUS SIMULATION OF THE MULTICOMPONENT
DISTILLATION COLUMNS
33
.
1
.
Simulation of a RadFrac Model
Problem statement
A multicomponent distillation column, specified in Figure 3.38, has total 20 stages

(including condenser and reboiler) with 60% Murphree efficiency. A hydrocarbon feed
mixture enters above tray 10 of the RadFrac column. Apply the Peng-Robinson
correlation and consider 120 psia pressure throughout the column.
(a) Simulate the model and calculate the product compositions, and
(b) Produce a Temperature' (0F) vs. 'Stage' plot.
Feed Specifications <

Vapour Distillate Specifications
Flow rate = 100 Ibmol/hr
Temperature = 120F Reflux rate = 125 Ibmol/hr
Pressure = 120 psia
Component Mole%
C3 5
/-C 15
4
n-C4 20
' C5-
25
A?-C5 35
FIGURE 3.38 A flowsheet of a distillation column .
Simulation approach
(a) As we start Aspen Plus from the Start menu or by double-clicking the Aspen
Plus icon on our desktop the Aspen Plus Startup dialog appears (see Figure 3 39).
,
.
Select Template option .
FIGURE 3.39
VSI'KN I'll 'S SIMl'LATION OF DISOIATIOM MHHKl.S 137
As Aspen Plus presents the window after clicking OK in Figure 3.39, choose General
with English Units. Then hit OK (see Figure 3.40).
FIGURE 3.40
Click OK when the Aspen Plus engine window is displayed (see Figure 3.40).
Remember that this step is speciic to the installation.
Creating flowsheet
At present, we have a blank Process Flowsheet Window. So, we start to develop the
process low diagram by adding a RadFrac column from the Model Library toolbar and
drawing the inlet and product streams by the help of Material STREAMS.
Now the process lowsheet is complete. The Status bar in the bottom ight of the
screen, shown in Figure 3.41, displays a message of Required Input Incomplete indicating
that input data are required to enter to continue the simulation.
Configuing settings
Hitting Next knob and then clicking OK, we get the setup input form. In Figures 3.42(a)
'
and (b), the Title of the problem ( Simulation of a Multicomponent Column') followed
by the Aspen Plus accounting information (AKJANA/ll/ANY ID/FINE) are provided.
Include the additional items in Report Options/Stream sheet under Setup folder
(see Figure 3.43).
C aterial
fi, 6* v«« rwa To* IVi rk**M ll»»v wn*~ H*
-
CM
STREAMS ' DSm) Diiii Kvfiec E«liacl Muffiac SCFw PelroFiK Hat
t fims BUchFrac
'
FsrIMs.miFI i cv Ro t *>wn»'ii.i ihim

| Chacte3 Wo«<!»W ,[ ]Oi«tcl-lto«tlW.. | Met* Acicla tf cef wl I IMS
FIGURE 3.41
|a<xl
-
* Mi D». To* fo» PW lita

r uno
t * H*
.
D|ia|B| |«8| >g| aklaKKM n.| -Ti| ,±jHj | _

jj
mTb fJ Mil iilpi-3 »l oi l H

a aj s«i»
© StvamOast til« :: !|S«wiabor at a MJHcoffponent Colwrr

UiHil
f m »««« GMMri
=c ia LWl.-S<h .
O RepalCptom
d
Conmneti
OuQtitanAt |ENG
Pa
r o«t« CONVEN Si
d
rj Rearforj d
Uu...... '
< 1 J
d
r UwfreswAtcataJabm
_
J RaKliSurray
. SetHat,
F M"! ''ll'n ' j40**** I

r
H**£***«"" C«fc«Ba | Raactan | nat«MCIWisin ! ManBii*w i S«U> | UawHaMi )
FIGURE 3.42(a)
f
illJIBI I ! c(PJ S fJ- >l»l !-H 3 'I 1*1 i| TJ _

j J
~
I f - l -I-1 fV -1 -iC! i m\ MM
o--
1-1
Hi-a li im MMa wr« -w. t-
FIGURE 3.42(b)
.
i -if] i 1*1 -iti
- I
5
r .
'
'" '''' aim
FIGURE 3.43
In the let pane of the Data Browser window, select Components /Specifications. Filling
out the Component ID column, we obtain the table as shown in Figure 3.44.
Copynghied material
mas. : ?j 'I
m Do* lock Br. PU Lbtwy Moo- HHp
±J-" - l-l hPT 1 lai .

N
1© ?(«c -
i
f t SmJalicn 0*:<-i
PROPANE Convert onal fflOPWIE

SOBUfll S06UTAHE C4H10-2
CuBjn Uh*l
0 Papc"
wet* MEmtlBUIiJIt. 9UZ-3
JPCItTWIE
L J-J 6-<J Pro»l»i

r
M CJ NtaOhMcMMMn
Prtcaties
far Help p-eai M
FIGURE 3.44

In order to define the base property method press Next icon or select Properties/ ,
Specifications in the column at the left side (Figure 3 45). From the Property method .
pulldown menu, select PENG-ROB. This equation of state model is chosen for
thermodynamic property predictions .
das
Ffe E* W Pa W
0|e?|B|
I W
si «lStl
Jt Specficabom
PiopBly method: t modHt

lhUS«s
Ptoctislypw. F
[PEHG-ROe
r
-
t
f w-waioi method j -
htufaoampemrti
Qj H-f»)rC<mpj
; . unif«:qw*>! : ChcntbylD j
O GLOBAL
1 (3 Enmaw
1 -ij PramMwi
F
-
CH
STREAMS Pfltefnc P fwt B#etf.K
FIGURE 3.45

In the next, use the Data Browser menu tree to navigate to the Streams /F/Input /
Specifications sheet. Entering the values of all state variables and component mole
fractions, we get this picture (see Figure 3.46).
. ....
I rH-H-F " -IB I'll IW
Ml II- P=!J 3
I2S I-
~
3
f» k 3 ,
& -
3
I 3
' 'U*w 5? !?- Mtg «!-

Ei -*. -~ »
-P-- M= 'O--------
FIGURE 3.46

Open the Configuration sheet choosing Blocks /RADFRAC in the list on the let. In the
problem statement, the information on number of stages, condenser type, vapour
distillate low rate and relux rate are given (see Figure 3.47).
r£Z3_
3=
'
: 3
. mam
ea
.rauv s-.rv, Ma Cm mm «. .*>>
FIGURE 3.47

In the next, use the Data Browser menu tree to navigate to the Streams /F/Input /
Specifications sheet. Entering the values of all state variables and component mole
fractions, we get this picture (see Figure 3.46).
. ....
I rH-H-F " -IB I'll IW
Ml II- P=!J 3
I2S I-
~
3
f» k 3 ,
& -
3
I 3
' 'U*w 5? !?- Mtg «!-

Ei -*. -~ »
-P-- M= 'O--------
FIGURE 3.46

Open the Configuration sheet choosing Blocks /RADFRAC in the list on the let. In the
problem statement, the information on number of stages, condenser type, vapour
distillate low rate and relux rate are given (see Figure 3.47).
r£Z3_
3=
'
: 3
. mam
ea
.rauv s-.rv, Ma Cm mm «. .*>>
FIGURE 3.47
142 4 PROCESS SIMULATION AND CONTROL USING ASPEN
In the subsequent step, specify the feed tray location in the Streams sheet as shown
in Figure 3.48.
fl. Ml D«i f * PW Uom* VMcm N*

T«* t
CJ
.
31 P«p 3«.
Q
flow
i rj dv
20 Um4
S .
t . .
9 , '
0- RADFRAC
Hi j j flndxra
* Cj T3<*
SinDWS ! OSTW OiW tf K tm*t MJJ.tc Sgt*e fWuc .

Hwfi»e B*<(W-<«
FIGURE 3.48
Enter the coliunn pressure of 120 psi and get Figure 3 49 .

as shown in the screen.
-1*1 xl
5* pfboi
: f--3
Cj b**<**t
Ci 'jruJACCw
Cj uwff«&o
t cj «~*
Cj
E ( J Vt. j xr-
* CJ .
cj w
_ r iMngCkUn
CJ feaf
'
!-
f*M* Mfr
FIGURE 3.49
The Blocks/RADFRAC/Efficiencies/Options sheet appears with the Data Browser

menu tree in the left pane To input the Murphree efficiency value for all trays (excluding
.
the condenser and reboiler) we have the screen, shown in Figure 3.50 i ,f rst.
f *
T He S« <*- Ma Tn* t Ft* Un, WMdw 4*
wal _U a|t1«>hNIH!£l 2l jiiiiii J ©i

r.>i..i..|. fT -
I .W I - W jgfel
'
o
Method
« Set*
Jj
0
:j
9
0
p llhMWHcu
Trr. Smg
»
0
0 Gsmaigra
®
0
T' 4
"
1
STf&WS Km) Dha Hvfttc f act

Eit Httfrac SCF»ac PdtoFiac Ra<eFt«c:
SalcbFiK
t oba
Aspen Phis - 9b.. /- AOeb« o j « l: i fM 1S<6
FIGURE 3.50
Press the knob to open the Vapour-Liquid sheet (see Figure 3 51). .
tj He &t Uew Teob Rji Pie! liw/ VAvfcw heb
±Jr~--l h.b HT _ij_iM_J_Ua| M!d

HafaiEn. d±i±li5lPi BidoLaliid
3 yOphOW VoptM-UqilU j 1
O '
-
a '
a
Slartrg Endng
*
-
RSOfRAC
O a.
_
j P*> Sir.)
© Eta««
5-
/Cx- iele
flT <**tmm I I He»L£»-J«wn 1 *-". | Re«a». | l> i«ei>w | Meroiae,. ) Sol* 1 UwHoA*
-
a-»
MeMTiel '
. . -' 5 SEi . n. .... Dj.kT.
FIGURE 3.51
Assume the rectifying along with the stripping zone as Section 1 and fill up the
table , shown in Figure 3.52.
144 -f PROCESS SIMULATION AND CONTROL USING ASPEN1
mmmamm
RU> &H \Aew Dats Tec*
i r-i y i nr am i m
.
-
J <
'
joc*w. St«V9
Ugp
1 19
PAOFRAC
* 1
Mm CM
C vientm hi
Pock Sa j
EMMm
Report
User Suooj-
LiJ_
f -r.
STREAM?
NUM o
Mobetuot* It
FIGURE 3.52

Hit Afcci button followed by OK and observe the progress of the simulation in
Control Panel window as shown in Figure 3.53.
Fte E* Vtew 0«e To . Run Jbnrf VHvhw
±Jjij
< Loading SlmXat cn Jngtn* lS:61r33 i
D RADFRAC
»;rDC«8»ing Input .p»cif tc»ti =Ti« .

, . .
IHTOUUTTflH
eitJAl
f y PUJutfOTiRS paru can* set d roa hoo«l SEParrD
mie muivn from scf tasli . xuu kms - lsptste
slock: ftirraxc maids a*cnuc
« esM
1 2195
.
c ;j*4t
Jsasll
f " M«ii<$«aM> II S.O.*..

M«.iJSra»> SeMJtJ. II H«<£«»«w
IMiM vr- fill
CM I| Rajtr ai || Pa-nOwvn
(Won IWnCh n || MnuM i
"
V J
STREAMS
'
OSIVAJ
OSTWU Dfl« Rrfwc MJf« iCfiK FWrfnc R ft*: gaafwe
J'j jT«-tfc, i- *
FIGURE 3.53
ASPEN PLUS SINfULATION OF DISTILLATION MODELS 145
Viewing results
Click on Solver Settings knob and then choose Results Summary /Streams to obtain the
product compositions (see Figure 3.54).
r-i .i.i>fv -
jci
rl 3'-f 13 "--l
9
_
J
IM Mi
mmf ~
" "
Hi 1 T» TBH
"
«.>* TOB 1 l» . "
J
»*».
-
sin 1
"
rtai-'
-
1|
1 !
Will ue in
TariT ' «« IM
lb i«»
i.«
"
aoni IJH- TIB TM
ntn 1 . a l<» III
Tf«5B 1
f» n hi 1 i I wr mi "in 1 « » hihi I "i |
|
-
<u« eWj M M« C-» Ma ti>« rmt» Km*~
. rw » -.«»«* I- .> '..
FIGURE 3.54
It is a good habit to save the work done at least at this moment. If we wish to see
the tabulated results with the process low diagram in a single sheet, simply hit Stream
Table button just above the results table (see Figure 3.55).
JMMI .til _!.) a nH-|»l%l<M ») r I i-l .IglJi £j

lisf i -
i -id un
«-C3-
FIGURE 3.55

As stated previously, to obtain the input information, press Ctrl+Alt+I or select Input
Summary from the View pulldown menu (see Figure 3.56).
imut Su«Hry' cr«««d by Ajp«r Clul R«l. 11-1 it VMM Sun )ul IS, 2007
Dlr«tory c froqriM fil« .AipefiT«ch\**ork1ng Folders Aspen Plus 11.1 Fileniw C
; . userj ijjn* *ppOjt« local T*<Bp -*pt>a cn,
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tiuC
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Is-unITS CNG
EXF-STREWS CONVIN ALL

" "
ACCOUMT-INFO ACCOUHT-ll PROJECT-IO-AHY ID PRO JECT-NWI- FINE

'
USE R - HAf E " AK J AH*

"
'
OtStRIPTION
C»n»ral Slaulation wtth English units ;
f, psl. Ib-tv. Itaol/hr. Btu hr. cuft/hr.
property method: none
fIoh basis for Input: Nola
Strcan report cowposlclon: t»ol« fl«
'
AOUEOUS / 50LIOS / INOBGANIC , A
PROP-SOURCES POREll .
aflUEOUS ,' SOLIDS / INORGANIC
CWPOWMTS
PROPAXE ClHS ,'
ISO»U-0l C4HI0-Z ,'
N -«VT-01 CAMlO-l /
2-t«ET-01 CiMl2-2 /
N-PEN-&1 C5H12-1
rSHCET
BLOCK RAOFR.AC IN-F OVT-OV B
PROPERTIES PEMG-ROB
> -DATA PRKIJ-1

IN-UH1TS CPKt
PROP-LiyT PRKI)
BPVAL PROPAME ISOSU-01 -7.BOOOOOOE-3
BPVAL PROPAhE N-BUT-01 3.300000001-3
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.
'.
tol # f> " to* t QwpW M I JO IW l lhAJT M- [ wnfta 5 } > AtWwAort* || -APF7EAJ > 1 17a>
FIGURE 3.56
(b) First, choose Blocks /RADFRAC /Profiles in the column at the left side
Accordingly, we have the stage-wise data as shown in Figure 3 57. .
mm J >>j am w
3fl *«- rmi I c 1
Vapofto.
F oawnd
r *j
Tiit
1 tasoU 1 "
B
--
t
o
3 aj i
'
9TIJ3K?SI 20 i 171 385017
T- t c I 195 3*a»6 20 j
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;oo 3ra 20 i
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lit
n 121) ;:
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.
.
- i
llJ ||
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fir I HME | Mh | M.UoM |
STntAMS jgwc tW-« H«rf.>i *mtr»C J

FIGURE 3.57
ASPEN PLUS"" SIMULATION OF DISTILLATION MODELS 147
In the next, select Plot Wizard from the Plot dropdown menu or press Ctrl + Alt + W
on the keyboard to get Figure 3.58.
I ... '.
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j
71 .1
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-
CH
MnrtJ D,> tuf<tc MJfac Sg-«c P trf.tc r rac

Ralf t i»c
Bl£f
FIGURE 3.58
Click on Next button in the Plot Wizard Step 1 dialog and get a variety of plot types ,
shown in Figure 3 59. .
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fift
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g «JI" d»| olaii n>i

-
3 IPFQ | CwvoMora j KVAjW j
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,
i
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J 51 OK
_
J o ,
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naa
_ j wFodo FkMntln CCCOTHI CQCQS H) Hv4m > BM
- J s- j seisa
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60 - .
JP""
Pi"
-
CH
'
m& tS» so.. w« f .-A»»H.MI
fac NU«
iQVjre 1740
FIGURE 3.59
Select the plot type under the heading of Temp and press Finish button to obtain a
'
plot of Temperature (0F) vs. 'Stage' (see Figure 3.60).
rinwii-ii
I I J s < i io u £ 15 i« k w tr tt is-a
: it
FIGURE 3.60
Recall that the above plot window can be edited by ight clicking on that window
and selecting Properties. Then the user can easily modify the title, axis scale, font and
colour of the plot.
332
. .
Simulation of a PetroFrac Model
Problem statement
An artificial petroleum reining column (PRC), shown in Figure 3.61, consists of a feed
furnace and a distillation tower. The tower has two pumparound circuits, a partial
condenser and three side stippers. The furnace (single stage lash type) operates at
25 psia and provides a fractional overlash of 40% (StdVol basis) in the tower. The
outlet stream of the furnace goes to the tower on Stage 22. The tower has 26 stages
with a Murphree stage eiciency equal to 90%. A steam stream, STEAM, is introduced
at the bottom of the ractionator (26th stage with on-stage convention). There are another
three steam streams, STM1, STM2 and STM3, used in the side strippers. The condenser
runs at 15.7 psia with a pressure drop of 5 psi. The tower pressure drop is equal to
4 psi. The distillate rate is 10000 bbl/day and the distillate vapour fraction in the
condenser is 0.2 (StdVol basis).
ASPEN PLUS SIMULATION OF EHSTILLATIQM MODELS 149
LIGHTS <
WATER
STMl
sir,-
STM2
BOT
FIGURE 3.61 A lowsheet of a petroleum refining column.
A hydrocarbon mixture with the following component-wise low rates enters the
furnace at 1170F and 44.7 psia (see Table 3.3).
TABLE 3.3
Component Flow rate (bbl/day)

Ci 3
c2 65
C3 575
i-C4 1820
«-c4 7500
i-C5 30000
n-C5 42000
H2O 250
In Table 3.4, two pumparound circuits and three side strippers are speciied.
TABLE 3.4
Loeatum Specifications
Pumparound Draw stage Return stage Flow rate Heat duty
(drawoff type) (bbl/day) (MMBtu/hr)
1 (partial) 8 6 49000 -
40 (for cooling)
2 (partial) 1 12 1000 -
17 (for cooling)
Location
Stripper No. of Stripper Draw Return Stripping Bottom product

stages product stage stage steam flow rate (bbl/day)
1 5 SID1 6 5 STMl 11000
2 4 SID2 12 11 STM2 15000
3 3 SID3 19 18 STM3 8000
1
Four steam streams used in the column model are described in Table 3.5.
TABLE 3.5
Specifications 1
Steam stream Location Temperature (0F) Pressure (psia) Flow rate (lb/hr)
STEAM Main tower 350 50 11500
STM1 SID1 stripper 350 50 4000
Considering the 'BK10' base method under 'REFINERT process type, simulate the
f ow rates (bbl/day) of all product streams.
PetroFrac column and report the l
Simulation approach
Select Aspen Plus User Interface. When the Aspen Plus Startup dialog appears ,
choose Template and click on OK (see Figure 3.62).
I I I I I I It
Cioata a Utm SmMan Using
A+ f Blank Smiiabon
A+ Temptale
"
OpendnEwiingSimulatior
e*r\ADU BOOK apw

DAeoolAChapet sVAOU OWN xm
D:V0ook\Chap(«sViDU t*{>
.
0«
I
| Adobe Ao-dia P,d«»« I Chace.s W \ 4]Q*i** 2 HmcHW || Av Pka
FIGURE 3.62
As the next window pops up (see Figure 3.63), select Petroleum with English Units
and press OK knob .
mm
'Mm.
1
linn v-
.
..
L EJ J-J
-
.
. ..
FIGURE 3.63
Click OK when the Connect to Engine dialog appears. The next screen presents a
blank process flowsheet.
Creating flowsheet
Select the Columns tab from the Model Library toolbar. As we expand the PetroFrac
block icon, a variety of models is displayed as shown in Figure 3.64. Select a model
icon and press Fl to know more about that.
rinF. I- I-h HI I .Ml I lal iN
J? if" IT
[1 it Jb Jt
& ir if
ir .
# lb
t
f ir Op
tr ffc* c
J 1 -
4
. | tun
r * t
i> B p a .
# I .
-
W 11 1
FIGURE 3.64
152 PROCKSS SIMULATION AND CONTROL USING ASPEN
As the distillation tower descibed in the problem statement, it is appropriate to

choose CDUIOF PetroFrac model. Then place it in the flowsheet window. Adding all
incoming and outgoing streams and renaming the streams as well as block, the process
low diagram takes the shape as shown in Figure 3.65.
L'Mi- 111" A KM* 1W mm m 31* 1Mb -jM«.
FIGURE 3.65
Click Next to continue the simulation (see Figure 3.66). In the Title field, enter
'
Simulation of a Petroleum Reining Column'. Open the Accounting sheet keeping

untouched the other global defaults set by Aspen Plus.
t.
r
k
<UbM
-
.
<i.i-?-ir-Q-ii'-i?--i
.
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FIGURE 3.66
Copyrlghtf
In the form, shown in Figure 3.67, the Aspen Plus accounting information are included.
I'M MI | i l"!
1 1 F
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9 M Mji '-c
s
»1 9i<>>
. I"- 1
ITBUM :-1TMj ba 1m .kMnc tOM MXai Mai
FIGURE 3.67
In the subsequent step, use the Data Browser menu tree to navigate to the Components /
Specifications sheet. Filling out the component input form, we have Figure 3.68.
U> ZlgjFi 3 >id A

< P-Bid Lj'i
aTJ*
3 gr 1 i -i;
..
1 7
-
3
T
,
- -
it! T KJETTH tSruT
-
r? f
Lj i-r
tntUM ' wraij a- B i. wo., ip i tw.. *****
FIGURE 3.68

We know that the thermodynamic models calculate the properties, such as vapour
liquid equilibrium coefficient, enthalpy and density. In the list on the left shown " ,
Figure 3.69, choose Properties/Specifications to open the property input form In th 6 .
Process type field, select 'REFINERY

'
and in the Base method if eld, select 'BKlO' (Brau

K-10 method).
Ea Tc<* ftr HO th*> .v v t
NBI I I a>|e| ¥?! nlt'lftKKI I >»l ~l i I "I -I *\ I J

I f i i I fV .|:-liS|-. I .:M
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3
< i-j :
1 aj c v-lu
'
STRUMS KTVM OM i
f kfiK PtftaPut RatoFiv 8«=f
r i«
FIGURE 3.69

Next the Streams /FEED /Input/Specifications sheet appears with the Data Browser
menu tree in the left pane Entering the feed data, Figure 3.70 is obtained.
.
D|f
t iB| _
iJ e|jgJ njKjfti i-g -i ».i { |h| Miigj .} _
j
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n
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iei
cs nm
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rv
-
D -
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, t«,« i i*
FIGURE 3.70
f lling out, it
As we hit Next icon, an input form for Stream STEAM opens up. After i
looks like Figure 3.71 .
* t* V«« D*» T«w fVn PW Marwt VMem
M-i rv -
[f t HuTorCoew 3 t n |
| EOOpa
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1*0 |r
. F/traBy
£ Mol(Qior Stioam
i: FtranKn
ict
d ia 1
d H
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: g ST
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S LGHTS
3 SE>1
3 O SlOS
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Total NlSOO
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itiputCMeM*
fV MMd iAw. } SwoWort 1 HutEttharpei' Columw j Rwawt j h w O* | M*v niE | S<*t> | U«Modes |
'
STREAMS DSIWU
ntnjl r. .1 Raifitc EntlKl MJtf . SCfiac t)_-.r...
PtfwFrac njj -
Batefiae
._ b
fiac
Bwctjj..
;
NUVI cj/Ki i OTote
- S . * AwnWM t'
FIGURE 3.71
In Figures 3,72(a) (b) and (c), three i

f lled input forms are shown for STM1, STM2
,
and STM3 streams ,
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i csk Wew Dm Tooli H i PW Ibtw,
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FIGURE 3.72(a)
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t i«
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FIGURE 3.72(b)
at:
Rs £c* We* Dae Tc s Fiwi FU : lAray VNVid&B
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3M 5 [ g rg \ \ u j | n>|
~
/S(»cifiwrtton»j FlaihOpwn: | EOOfton: |

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£ J BIS
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i
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s _
j sm
g i SID2
._
j 5103
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> jfl ST = AM
J! STMi
s STM 3 lad fuccT
© lt*xJ
P,
ED A
Llj-_
-
a-»
Rf
r rac EJiaci MJf c SCF.« (W.k RaFw
FIGURE 3.72(c)

From the Data Browser, open Blocks /PRC/Setup /Conif guration sheet and fill 11 up
(see Figure 3.73).
Tmi "<»«. 3*« t*JT P« Ufco* A5«to- HMn
"
j .
TiU-J.J 1'
_
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Sehjoteta'i
o
P«rN*V o, Ligud
* a f-" Uiidtihu«E
3\-ur
S EOT
UGHTS
K BDI
i jj so;
g £j 903
>: M STEAM
STVl
M STM2
WATER
1
J
Ki vjij hGOFWw- ~
4 Main colunn 81
"
Mod
' MTi.ni iv-.o . '.r. ri-e- n. f... K. t-- nJ. ii-...
SWE-MS I OSrwU DitB BrfrK E-trwt HMik SCfitc P fix. (WeF.se B<(j*F(»(,
fs-.net, wean
'
a«i a ' ... OvWtjrt pan Pk - SaJTt" '
FIGURE 3.73
As we press Next icon, the Blocks /PRC/Setup /Streams sheet appears as shown in
Figure 3.74.
'
'
Fie Edt W C*s T>-A PW Uxsy Wrefc* Hefe -
jtHGRETRC <<j|Ai 3 j
5 JCcriifjiter, ystiasnej Steam |vn«*tue|wCariMnnn)vFijin«ca{
feed me*"!
31** Conwibon
5 TEAM 26
FEED 22 Funaco
Hwse FMw B«m Fkw IWt

-
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eoi
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26
ttSHTS Vapd
Fieewatei
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.
nw
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| wWi | HeMEohongeii Cotuan) j Rmumi | Pre;iu9 Cltaroa! | ManpUstco | Soldi j liieiModd! |
< ..sFtabe '.'if re-iPijjll 1

'
a*
FIGURE 3.74
n Figure 3.75, the pressure sheet shows the condenser pressure along with the top
as well as bottom stage pressure of the distillation tower.
As given in the problem statement enter 0.2 in the Distillate vapour fraction field ,
naer the heading of Condenser specification (see Figure 3.76).

rl«l-l
9 -
F P 3
-
F P 3
-
17-
f
- 3 'no r
.
_j imi
< o «
*
a S'
.
zj m
-
3 iTm
Himdl ' in
.
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. M
-I « - - o-
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FIGURE 3.75
i r-i-i. i-- rir -

i -'ci i « -i-i
3gifh - 1 l-l »l 31-1 "'1
a -
I ] 3
T _
UXTI
w
w:
itfl
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-
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i .r.
M/w IOib NWw lau«<a
£S-1 IW I " .mm
FIGURE 3.76
In the next step (see Figure 3.77), the feed furnace is specified by selecting the type
of furnace and giving the values of pressure and ractional overlash.
rl«l-l
9 -
F P 3
-
F P 3
-
17-
f
- 3 'no r
.
_j imi
< o «
*
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.
zj m
-
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Himdl ' in
.
I-Wav. nruu M law Mhr VI» AbA.

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FIGURE 3.75
i r-i-i. i-- rir -

i -'ci i « -i-i
3gifh - 1 l-l »l 31-1 "'1
a -
I ] 3
T _
UXTI
w
w:
itfl
I 1-11 I H»«e l»l «i f «H I r> I rMMOM«M I MI I M* I IMOMa |

-
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Haas
i .r.
M/w IOib NWw lau«<a
£S-1 IW I " .mm
FIGURE 3.76
In the next step (see Figure 3.77), the feed furnace is specified by selecting the type
of furnace and giving the values of pressure and ractional overlash.
tUiiLH
MM
.
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J *«nmr. I yS«Mi| Sa
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.
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D*L R«*mc E*«» Mf
r fue StTuc PeboFiK R ef>*e £!5n«C
FIGURE 3.77
In the let pane of the Data Browser window select Blocks I PRC I Efficiencies and ,
provide 90% Murphree tray efficiency (see Figure 3.78).
My| 1 1 las! « dvifelsKM »j -| 1 IH_JS)_J ®l

; i nr 1 IOI 1 la! iMSil
Fb |r..-,rr,F:-.| H | «||..
4 'W*!
_
Sertgr. Enlnq
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j4
fir1
Kjrf.sr SOW NWfwt Rvrfiy gjjtjftg

-
a - . ii i HUH P-j. JtothLy?**-
FIGURE 3.78
The three windows shown in Figure 3.79(a), (b) and (c), specify the side strippers
,
tj d on the given input data.

(Buck PUT (INMroftm;) Slriivm SI - IWofttmwI

tU F-» I Took f\vi -V.' Ubrary- Yfrdon Heto
I IB] I SI MM
_
] Mi 3 ]0pUlrtalF«di | Uqud Retail j P'i
_
J
id Seho
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ll 3 r 3
a Stj m "
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-
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-
FEED
- "
TT-
-
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r earr, f 3
3
~
SIDl
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l SlMm lo bo«om pioduct tslw |Wion»l| f
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il 53
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Cv l
f FoWon.afljenFVsll I rij.rM |)|mI hcOT»c
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FIGURE 3.79(a)
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t a Tooh Run PW Lfcrary WfxJw
EBB
Dl lyj _
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h i - IBI iSli
t
as'
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, rj ot Setup
U 015
.
Jfl fEEt
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Siropeiixoduol 1 102 0v«<hMdretuK |n 3
.
j 5DI
-
.
H 5:02 Slnpomgirwdun
: a SiO) I* Stiipoiij *te*fi |STM2 jj
.
STEAM
.
5TM1
Sieamtobollampiodi 1 It .
.
Ji sTMi r Rebcisfduy
.
!r,«
S 23 WATER OpboMt tebo<e. heal ihwmt
ij Brxki t " (. produd 3 3
i|
Srrf/oJ 15000
'
I P i»»wid» -1
-
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*
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*
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S-3
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r w* Stwca
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rj CoodMer Hcurv
iwifiii iiHi W
KMancdu dw. JSt
t inM) Sb»«r S2
3SA
HutEichanoeii Cokanu | Raadai | Pnuuactrogni I MawMon | SdUs | UmMcxMi
STREAMS OSTWU 0ml RadFtsc Erf/acl MtffK

MJfi«: SCFuc PmoFiic R«rfi« e«ttfi«c:
C\ gFoUmVANMnAjill 1
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FIGURE 3.79(b)
as-3
-
a GOT
! U ns
FEED
3
n fl "
-
u UCHTS 3 tJv*f>»adi«t«n fie -J
. Zj SOI
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B
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STM1
1 iV) snc
r Rttolodur)'.
r
*
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.
j WATtP
_
n
- FX. 4
1) Jj .....
WaCwwH M Mar cou-t. jwja ;aji,

[V M«m/5c*Mt. I S tHten I H»«E*ch«n9M Cok-ni j n. on [ f Miw*CKangtrt ] HmvMm | SoUi | Model. |
STREAMS DSTWU
'
fvHtki fn.
FIGURE 3.79(c)
Although the Status bar says Required Input Complete, we have to specify the two
pumparound circuits connected with the main fractionator. Select Blocks/PRC/
Pumparounds in the list on the left. Click on New as the object manager appears. We
may accept the default Pumparound ID T-l Then specify the first pumparound circuit
'
.
(see Figure 3.80).
H* Es* VW D«j Toob Rwi Pa Jsrvy Vinom net
Ql -l H
_
J ra» «
-
1) Sdukw
_ j
J W.srtrt
OHRltfMM
_
-
J «*
lj LXirTS
1, 5103
U s-o: 31-ur
STEAM
STM1
jfl snc
ino
j MHTSH
taw
$ fK
Jj "MV
HBEAMS
-
hfin: ' OStWU
OSIWU Dail r .*:
fif ErtM HJ*.* SCfi*c P«ofr*c r '*c
H«f
FIGURE 3.80
"'
162 PROCESS SIMULATION AND CONTHOL USING ASI'KN
Select again Blocks/PRC/Pumparounds to reopen the pumparounds object manager.

By the same way, if ll out the form for second pumparound circuit, shown in Figure 3.81.
|»'|H| |
i r n I F .
i
..
.
p rr-T n U -1 q -.| ul 1 n.|
-
J i
-
J -
| :
.
f" -
hm*lm
7
'
-
I t:
.
_
j w;
.
V) REE
_
_
j SiOl (..m 1... . d
.
_
,
1 "0-
L-
Sffll 1-.-. d
J
J Beck*
Jfl ' T - OS
-
Jfl PI
h
_
i
_
J
FIGURE 3.81

Hit Next icon and click OiTto run the simulation .
The Control Panel window is presented
in Figure 3.82.
...
J rj_iUV 11 Im; i ibi i i
S Was Jui M, lOC''*
.
Fr nxtcj input i(Mift«Hiau
f p oawa rca the n-wsasir

oawjimit .
1 1 O.tlMl
STP£Am D5TWI] Cfl r iac

fif m.HiF.k SCf.w r nc
Fy.f if a.- g w,
FIGURE 3.82
Viewing results
From the Data Browser, choose Results Summary /Streams and obtain the table, shown
in Figure 3.83, that includes the low rates (bbl/day) of all product streams. Save the
work done.
l.;ft-i
o-
-
FIGURE 3.83
To obtain the input information (see Figure 3.84), select Input Summary from the
View pulldown menu.
f
f
ITU UMilMly of 1 1
. fv irtm no- Ha. »»t.
titmm . uve. : * lid. flaa
.-
Cl CM
ut c*<ao ;
Ml . ««0-|
"Co
ncc* «c >uo s'*! t.ii:o»T» lu

w c*Ti" iroa >tw «oj
FIGURE 3.84
34
.
SIMULATION AND ANALYSIS OF AN ABSORPTION COLUMN
Problem statement
A hydrocarbon vapour enters an absorption column below the bottom stage and the
absorbent enters above the top stage. The column operates at 75 psia with no pressure
drop and it has four equilibrium stages. The absorber is specified in Figure 3.85.
GAS-PDT
Absorbent
Pure n-C10
Temperature = 90oF
Pressure = 75 psia
ABSORBENT
oAo-rttu
Gas Feed
Temperature = 90oF
Pressure = 75 psia
Component Flow rate

LIQ-PDT
(Ibmol/hr)
280
c2 150
C3 240
n-C 170
4
n-C 150
5
FIGURE 3.85 A Tlowsheet of an absorption column.
Apply the Peng-Robinson equation of state model in the simulation.
(a) Simulate the absorber model (ABSBR2 under RadFrac) and compute the product
compositions.
(b) Perform the sensitivity analysis by examining the effect of absorbent l
f ow rate
on the exiting C3 concentration in the top product .
(c) Compute the absorbent flow rate to keep 15 mole% of C, in the gas product
(GAS-PDT). 3
Simulation approach
(a) Double-click Aspen Plus User Interface icon on the desktop. When Aspen Plus
window pops up, select General with English Units Template as shown m
Figures 3.86(a) and (b).
;.
b ,
_£l a AHM -< r-J 3 ! I I Jgl-J _!
1 r OMn»E«F«Sai>H>
0 J.<* *h«MW«U»0
V
..
FIGURE 3.86(a)
oi W U J )ig| J2hm_L_kld 2J_LLJ_ia_i

_ - _
1F
FIGURE 3.86(b)
Click OK when the Connect to Engine dialog is displayed and proceed to develop
the process l
f ow diagram .
Creating flowsheet
Select the Columns tab from the bottom toolbar Among the available RadFrac models,.
select ABSBR2 and then place it on the l f owsheet by clicking with the cross hair
somewhere
the inlet andon the flowsheet background Right-click to de-select the block. Connecting
.
we have Figure d.»/.

outlet streams and changing the all default labels ,
F dl
- Vto* tJ«8 Tccto Btr low wl liw/ Wn<*»«
J1IM J_L-LJI .1 .tel. I IBI «g]*!j
O 1 «8 -
'H
O 1 :-AS'Ee: f
STREAMS S OSTWU CwU Ratfiac E»»[»c> MtlaP.ac SCfiv: PfUcfrac Raiefiae Batctfrac
; Slwl] S J " Botk j 4] Aapen_ Mo«by Mct | - Cha r3 Hritirft j jUwtdTwro Hwcao )[ Aapen PVj« . Soul « j
FIGURE 3.87
In the subsequent step, hit Next symbol and fill up the three setup input forms as shown
in Figures 3.88(a), (b) and (c).
Re E(k Mm D*« Tooii Pur. Pid Lbra>y Wfida-* H >
n| |H| J JMg|jgl nsMfeKNM H j

_ _ SI
~
_
L r i-i-I- PT
_
-
5**
© Spectftcj«k>n«
Q SmitMlcnOiMni
ISmJabon ot «i Abtoiba
"
R«#iiVPO 3
OuWtBttlt |ENG r "
: Stio«m dan |cOW>/HH 3

Ftowbesw [ 1
DM C
STREAMS OST'VU QaU RxF.ac E«kI M F.oc P»tof.ac R<Mfi«c
FIGURE 3.88(a)
r
* -
FIGURE 3.88(b)
38
Tig-
IS
sir
-
:
FIGURE 3.88(c)
From the Data Browser, choose Components/Specifications. In the input form, shown
in Figure 3.89, all components are defined.

In the list on the let, shown in Figure 3.90. select Properties /Speciications to obtain
the property input form. Set PENG-ROB propety method.
168 PROCKSS SIMULATION AND CONTROL USING ASPEN11
& .
! -m I W W
'
I "
5!ES
ii
-
11 LI
-
D -
FIGURE 3.89
IF
. > --
-
D-
W W >»«.» M«» -il> «-»»
FIGURE 3.90

In the next data entry step, press Next button and click on OK. Enter the feed
information for both the gas stream and absorbent in two forms as shown in

Use the Data Browser menu tree to navigate to the Blocks/ABSORBER/Setup/Confi-
guration sheet (see Figure 3.92).
168 PROCKSS SIMULATION AND CONTROL USING ASPEN11
& .
! -m I W W
'
I "
5!ES
ii
-
11 LI
-
D -
FIGURE 3.89
IF
. > --
-
D-
W W >»«.» M«» -il> «-»»
FIGURE 3.90

In the next data entry step, press Next button and click on OK. Enter the feed
information for both the gas stream and absorbent in two forms as shown in

Use the Data Browser menu tree to navigate to the Blocks/ABSORBER/Setup/Confi-
guration sheet (see Figure 3.92).
' r i i i- rv -
i ie: m aia
i
"
3 nr
IS 3 .
,
IV
H3-
FIGURE 3.91(a)
3j
7laLJlllrr-3»)aU;
"
I E0O«Mr« |
: 1 EC?*- >]
I .
tea
r L
"
'
> fi '
"
£J T-r1
FIGURE 3.91(b)
f loKlyl » ! 3
ouiul .1 ! ami 01 al-rtc I MilBj} 3
«i -fe!
SfEf
P 3 ,
j\ r
-
Li ir
FIGURE 3.92
Select the Streams tab to specify stream location. Under Convention, there are two
feeding options: On-Stage and Above-Stage. In the present problem, the top stage is
the first stage and the bottom stage is the fourth one. Therefore the absorbent is fed
above Stage 1 and the gas feed is introduced above Stage 5 (see Figure 3.93).
-
He &k Ve
f * CW* Tec* Fin fa u , Wi-do- Up
Mai -I..[ **m *?! oMfel M *'l :2l_J_liiJjdElj*J.£iJ
i r 1.14- nr -i i iai
PtoimiI >/!:cnjcnni| 1 I
sws. Com*
WOfiBEH
5
© HMttr, Fto-iatm
_
J MfMffd } Urn* 1W 6*jb Flow :. U*.
| .
SfBEAMS : Djf
r f&F-K E-iKa W-if.s: SCF P ff-t -
. fisf
t .ic B«c»f >
FIGURE 3.93
In the next step (see Figure 3 94), select Pressure tab to specify the pressure profile
.
across the absorption column In this case, the column is operated isobarically at
.
75 psia. Under Top stage / Condenser pressure enter 75 psi. Aspen software assumes ,
that the column operates isobarically if no additional information is provided.
E« t
r ca a(s "m« Rji fta Jay, 7fr»e«
7]
fop ' Ccmkraii pftlfJI*
* fl (t*Sf EEC
E AflSOftSER
[V I - I . ..MT-UJ-W: 1 W J
0 0- R . t Pnrf.>: ftiufnt Bwtfat
| tjHA.MTMa We {j < n -S ' to. **** tr j - Mil
FIGURE 3.94
ASPEN PLUS"' SIMULATION OF DISTILLATION MODELS 171

Hit Next foUowed by OK to run the simulation. The Control Panel window is shown in
Figure 3.95.
-
Ft. E« V*- OA TMh 4*
ci»1H| *U M*} _
a
r Mai H'"I n . I M .| i?i m £
-
J T-l l-l' F*
-
'I .IBI I laai «M
mjihTiiiiTiii liiriSij
StPEAMi [ .11VU C«« RadF.-a- Mjfffac SCFr«c Prttofra- RatsF Bt&f'* .
FIGURE 3.95
Viewing results
Choosing Results Summary /Streams in the left pane of the Data Browser window ,
we
get the results as shown in Figure 3.96.
fit SX .Vn t« 1 It.-. a»> P« UrVf
loHal am
_
Lr_ia_ J rr _
.
i
la .
1 *LiJ «)W
~
3 aaad
I
j|r d
'
Jll .
d
a aria HBB
ei Mm
»> ...
NC4 tuoiyi liH IMHB
TiB iSidV) H9913

S Ntll) isnutu
-
a
r -1 *l)4s
C1 ozn jw- O0M
H 0152 0J<* 6020

' -
C) «»2 01* US'-

RG dm 0012 cioo
mM OlOD
|
tcio 1000 np oca 1
.
-
a-
'
_V ~, 26... r-j .., fiESfad
sifiEtw' e '' j Dr.« ri.j,3, Ml<, '* SSfi
f gB f,v'r'a- SftS
f -. kM- j.
I a-w a i e
t ss i iaajgLg
FIGURE 3.96
(b) In the sensitivity analysis we will manipulate the absorbent l f ow rate and,
examine its effect on the exiting propane concentration In the column at the .
left side, double-click on Model Analysis Tools folder and then select Sensitivity .
As the Object manager is displayed, choose New. On the next window shown in ,
Figure 3.97, Aspen prompts us for an ID. Enter 'C3' as ID, and click OK .
- t
f * idl .e
t a
1 MM Wl nMfcl-si-JI-i el r I L'iiliJJSll -1
_
i r L m rv
_ _
d |B|
1
.
_ , w
-
:.-
.
_
]
I C mrtn
I C-.**
i j Sohh | Utti
FIGURE 3.97
In the next step (see Figure 3.98), select New under Define tab. Then we are
'
prompted to enter a variable name. Enter C3' and press OK. Subsequently, the following
information are required to provide:
II I I ! . fT 1 .lEI
.
,
1 |B|
1 |
StaM l&i-iTOI
- > -
J .
4...,'. ., | MW. I H«,[Jw U>mm | aca>. | Bbu.Ow I M-MO, | U* I <lm*M I
'
n OITWU Cm R«fCMtt HJf*c «Tac IW'k n 'tc cf 't -
FIGURE 3.98
ASPEN PLUS*" SIMULATION OF DISTILLATION MODELS 173
Type: Mole-Frac
Stream: GAS-PDT
Substream: MIXED
Component: C3
Hit Next and select the Vary tab (see Figure 3.99) The manipulated variable iis
specified with the following data:
Type: Mole-Flow
Stream: ABSORBEN
Substream: MIXED
Component: NC10
Overall range
Lower: 500
Upper: 1500
Increment: 50
> Ht aa Vfem Csa Too» fu\ Pa {tar, >Vhd» >Mi 1*1 "i
-
i i»l.li:M;ii A
_
L r _
danElEMo -i «[|ai "~
* 1>>I ! 1 *»1
/Dorr yvacj |«T«ulaM| TaUgr OMMbn I Oaard |
.
_
j On, Ogmrm VsxMtruitei 3
Tor
Cjcpona 3 Low |M0
Upo» [Two
Ina fsT
Hercxljbrti
u«e Tea*
Lm1 I
-
-
Train,
Ure2 |
U C3 LntJ P
'
» - -
MM
.
_
j D»Ff
23 r tt
t ji
MM
UKJAHS ' CtTVU FVlrfnc l
f Kf
r nc BWrt/'K
FIGURE 3.99
In the subsequent step (see Figure 3 100), . select the Tabulate tab. This screen is
used by Aspen to set up tables. Insert T under Column No. Then right click on the
adjacent cell under Tabulated variable or expression. Select Variable List and drag and
drop the variable name (C3) into the cell. We may also directly type 03' in the cell. '
Then run the simulation and get the screen, shown in Figure 3.101.
174 PROCESS SlMULVriON AND CONTROL USING ASPEN
'
» (. <« . Mi Im* * uam mmm M*
sfgl.. j»[di<)P Zl JiUjd
-
10 > Cfton*
'> -
et " .
ft . .- u~
4 "
s
-
D-
'
DSTWU CMI Mfe wjftK KTm hmfm *ml~ Mo o
< w -m Ik
FIGURE 3.100
1 .
I'ICI I 111 !?1»!J
AM
ir
-Qc>
> nn
I :mii
In Tm.
t trv
I Mil
t Mai
lil/TU
'» «»«
K ua
MtM
i uut
'
MIMU Om IW<k Umo >w i« IOai DMTw taXw
FIGURE 3.101
\SPEN PLUS SIMULATION OF DISTIUJVTION MODELS 175
From the Data Browser, select Model Analysis Tools/Sensitivity/C3/Results to

display the tabulated data (see Figure 3.102).
5 -
- I » - " . - I rijo- - 11; .--
FIGURE 3.102
In order to represent the results graphically, highlight a column in the table and
select X-Axis Variable (Ctrl + Alt + X) from the Plot pulldown menu. By the similar
way. select Y Axis Variable (Ctrl + Alt + Y) for the next column. Then select Display
Plot (Ctrl + Alt + P) from the Plot menu and obtain Figure 3.103.
J T
-
I-1 l- iv i-g I i»< siW
I --. I - l - I
J
FIGURE 3 103
(c) In the left pane of the Data Browser window {see Figure 3.104), open
Flowsheeting Options folder and then select Design Spec. We need to provide
this design spec a name in the same manner that we did for the sensitivity
analysis. Press New, enter DSC3* and click on OK.
'
38
2i£B_uaas -'-i ~ _u-j.ii2a
'
3 ~--
5=.
-
o
_ AH .> Mc. lw Mo W. W«
FIGURE 3.104
Select ihTetJ under Define tab. Then enter 'CS' as a variable name and press OK. In
the next step (see Figure 3.105), the following information are required to input:
Type: Mole-Frac
Stream: GAS-PDT
Substream: MIXED
Component: C3
.
.
K-MJ-B-M-iM-f-
FIGURE 3.105
Copyrlghiod material
ASPEN PLUS1M SIMULATION OF DISTILLATION MODELS 177
f cation
In the subsequent step (see Figure 3.106), select the Spec tab. Design specii
data are noted below:
Spec: C3
Target: 0.15
Tolerance: 0.001
;Ti=E4Mi DSTVU Dag R»Jf>: Erftaci M frac SCF»c PihoF-JC r .K

flyf fcj'ctfix
FIGURE 3.106
Finally (see Figure 3 107), select the Vary tab and enter the following information:
.
> f
4. Lc Ar- Cm« to-Ji Hpi Ptoi Ubr, AWtow »H>
MHj_U jff) nkiaiaKiH n.| P >|'l"l I ~l f l

1 i
_
j r iii nr
_
imi i ibi i i
' X
.
' U -
_
i /-,
6
3 "
-
- J r
0 r r
0
Q ! M6
'
>
r-s.
_
i >
'
I -' - Tan, I > fi- -

?
:
1
| HmMH I r>MMf'CM«M | Mr iW I SOW: | UwMaW- |
»gj ' I a
FIGURE 3.107
178 PROCESS SIMULATION AND CONTROL USING ASPKN"
Type: Mole-Flow
Stream: ABSORBEN
Substream: MIXED
Component: NC10
Manipulated variable limits
Lower: 500
Upper: 1500
As we run the simulation, we get the screen, shown in Figure 3.108.
&k 'Aw U«j Tw, fu. w**«.
el w| Mii*MaJi£)!id r -
I I "I 311 M
<
j lai
Slock: ISSOAfilS USFUC
K. K. XL Ici Ir.
1 t 1
I 1 1 C.1K31
Lhtt i.e. sicwr- iMunuii i

i - l
f -.j.J. Hbi Ik/TcI 0 IS9ft«3
ML IL ttt/To)
i i » c.aui*
3TH£*«S ! OSTWU Dan Brfrac Um* UffiK SOHk t

f ftf
r we RaUfwc Badftic
ail * J " . »t
'
FIGURE 3.108
As we choose Streams subfolder under Results Summary folder in the list on the let f
(see Figure 3.109), we get the absorbent flow rate of 1179.467 Ibmol/hr to keep 15 mole
of C3 in the gas product. This answer we can also obtain from the sensitivity plot.
35. OPTIMIZATION USING ASPEN PLUS
It is well known that Aspen Plus is capable to optimize a function Here, we will continue .
the above absorption problem (Section 3 4) for optimization. In the present study, we .
wish to maximize C3 mole fraction in the gas product (GAS-PDT) with respect to
absorbent inlet temperature (lower limit = 50oF and upper limit = 300oF) .
Simulation approach
First solve part (a) of the previous absorption problem It means, i f ll up the input .
forms for setup components, properties, streams and blocks. In the next, simulate tne
,
optimization problem as described in the following .

t -r
4
« -
)
'
M
"
TM H
lit
KB
r
r
,
_
1 1
-
- Si.- - JUBJ -
-
i>'«
IT iMT 1
sna-fSBRI-
. - tc
U wra-; wim
M .» i .«<-'.
rr owi t-rr* M Im* o»« '
FIGURE 3.109
In the column at the left side (see Figure 3.110), choose Model Analysis Tools/
Optimization. As the Object manager is displayed, hit New button and accept the default
ID 0-1' Press OK and then New. Entenng variable name 'CS'. again click OK Provide
the following information to maximize C3 mole fraction in the gas product.
I'M*
N t)
FIGURE 3.110
180 PROCESS SIMULATION ANT) CONTROL USING ASPEN1
Hit Next knob twice and get the screen, shown in Figure 3.111.
T-Birry m.v.-.T'-iB
_
LilJ Jl]35l £vj:
3 <<J[ --7]2>J DijdHd

i0C.-.~. Osbcn
-
-
ii
2J
dp
a
-
iJ
At o i
fir Hitut/SpEttm j
STREAMS h!BM f 5&M S£p»

,
0 ' ioc*< p!9.
FIGURE 3.111
Right-click in the empty cell with selecting Maximize option. Then select Variable
List and drag and drop the variable name (C3) into the cell (see Figure 3 112). We can .
also simply type C3 in the field.
E* fwe ~ada Z,r. \Jutr, Wrtie* Hnb
CbiKtive tundnn -
HQ OfWlc*
s 2u eSci
[5) Rma
S ij 01
U .. ..
i'r
FIGURE 3.112
'
In the subsequent step select the Vary tab. Under Variable number, as we choose
,
New', automatically the number T appears FillinR out the form, we have the window .
as shown in Figure 3 .
113.
ASPEN PLUS'" SIMULATION OF DISTILLATION MODELS 181
!5)| I \£\ j l
21 Cw
_
j rw-m
ffi nw aw i
D -
FIGURE 3.113
Pressing iVex symbol and running the simulation we get the answer (see Figure 3 114). , .
The maximum C3 mole fraction of 0.259 is obtained at absorbent inlet temperature of 179 80F . .
In vi>* C*i Kn fa ttnja,,
J 1 i i fir - i bi
-
. 1 ibi
j 'Jr-.rr.
3 T i
>,
K1.«pu 75 00
noco 10*
foosaoo HH
USC0 £»-
wv.- lUHjU
"
MMB Lit 5»SS7

4*m
'
. ft
Wfa>
'
'
c? mm 1?. *
Ti PIVB
170(00 i»S3
FIGURE 3.114

At the beginning of this chapter a brief of all built-in column models of Aspen software
,
has been presented Several separating columns, including a petroleum refining column
.
and an absorber have been simulated using Aspen Plus. The process optimization has
,
also been discussed with an example. The present study covers both the binary as well
as multicomponent systems Interested readers may try to simulate the models given
.
in the exercise.
182 PROCESS SIMULATION AND CONTROL USING ASPKN
PROBLEMS|
3 . 1 A feed mixture, consisting of 60 mole% ethanol and 40 niole% water, is to be
separated by using a DSTWU model having a low rate of 100 kmol/hr at 40oC
and 1 atm so as to recover at least 85% of the light key component in the liquid
distillate and 80% of the heavy key component in the bottoms. The column
operates at 1 atm with no pressure drop throughout. In the simulation, consider
the relux ratio of 1.5 and a total condenser. Applying the Wilson property method,
simulate the column and ind out the minimum number of stages, actual number
of stages, and feed position.
3 . 2 A feed stream, consisting of 50 mole% ethane and 50 mole% ethylene. enters a
Distl column having a low rate of 200 Ibmol/hr at 750F and 15 psia. This separator
runs at 300 psia with no tray-to-tray pressure drop. The pressure in the reboiler
as well as condenser is also 300 psia. The feed enters the model at 6th stage and
the column has total 15 theoretical stages (including condenser and reboiler)
and a total condenser. If the relux ratio is 7 and the distillate to feed ratio is
08
compute the mole fraction of ethane in both the product streams with applying
. .
the RK-Soave equation of state model.

3 3 A feed mixture specified in Figure 3.115 is to be distilled by a rigorous RadFrac
.
model (FRACT2). The column consists of total 24 equilibrium stages (including

condenser and reboiler) with a stage pressure drop of 2 kPa. Consider the
condenser (total) pressure of 125 kPa and the top stage (Stage no. 2) pressure of
130 kPa. The distillate low rate is 120 kmol/hr and the relux ratio (mole basis)
is 2. A side product (vapour) is withdrawn from 14th stage. Applying the Soave-
Redlich-Kwong (SRK) property method, simulate the column model and report
the product compositions.
Feed
Temperature = 110nF
Pressure = 175 kPa
Dj O
Feed stage = 10 (above stage)
Component Flow rate Sj cC.
(Ibmol/hr)
benzene 250
toluene 80
diphenyl 10 B\ $
FIGURE 3.115 A flowsheet of a distillation column.
3 .
4 A reboiled stripper is to be employed to remove mainly propane and lighter
components from a feed stream, shown in Figure 3.116. It has total 6 stages
(including condenser and reboiler) and no condenser. The bottoms rate is
100 Ibmol/hr and the column pressure is 150 psia throughout. Using the Peng-
Robinson thermodynamic method, simulate the RadFrac model (STRIP2) and
ind out the product compositions.
Feed
Temperature = 40oF D -
f
Pressure = 300 psia

Component Flow rate

(Ibmol/hr)
c, 60
c2 75
c3 150
n-C 175
4
n-C5 60
n-C 35
s
FIGURE 3.116 A flowsheet of a stripping column.

3 5 A feed mixture of cyclopentane and cyclohexane is to be separated employing a
f
liquid-liquid extraction unit at 250C and 1 atm with the use of methanol as a
solvent. The schematic diagram of the process with feed specifications is given
in Figure 3.17. The process unit, having toted ive stages, is operated adiabatically.
Applying the UNIQUAC property method, simulate the extraction model (ICON1)
and note down the product compositions.
Feed
Temperature = 30oC
Pressure = 1 atm
Feed stage = 1
Component Flow rate

(Ibmol/hr)
'
cyclopentane 250
cyclohexane 750
FEED EXTRACT
Solvent -SOLVENT-
,
RAFFINAT
Temperature - 30DC
Pressure = 1 atm
Feed stage = 5
Component Flow rate

(Ibmol/hr)
methanol 1000
FIGURE 3.117 A lowsheet of an extraction column.
3 .6 A gas consisting of 40 mole% ammonia, 60 mole% air at 20CC, 25 psia, flowing at

the rate 120 kmol/hr, is to be scrubbed counter-currently with water (pure) entering
at 60oC and 30 psia at a rate 100 kmol/hr. The column operates at 1 atm throughout
and it has four stages. Using the UNIFAC thermodynamic model, (a) simulate the
RadFrac absorber (ABSBR2) and determine the exiting ammonia concentration in
the gas product, (b) Perform the sensitivity analysis by examining the efect of
absorbent low rate on the exiting ammonia concentration in the top product.
Copyrlghled malarial
3 .7 An artiif cial petroleum refining column (PRC) shown in Figure 3.118 consists of
a feed furnace and a fractionation tower. The tower includes one pumparound
circuit, a partial condenser and one side stripper. The furnace (single stage flash
type) operates at 20 psia and provides a fractional overflash of 50% (StdVol basis)
in the tower. The outlet stream of the furnace enters the tower on stage 18 .
The column has total 20 stages. A steam stream, STEAM, is fed at the bottom
of the fractionator (20th stage with on-stage convention). There is another steam
stream, STEM1, used in the side stripper. The condenser runs at 15 psia with a
pressure drop of 5 psi. The tower pressure drop is equal to 5 psi. The distillate
rate is 12000 bbl/day and the distillate vapour fraction in the condenser is 0.25
(StdVol basis). The liquid product, SID1, is withdrawn from 5th stage with a
flow rate of 2000 bbl/day.
A hydrocarbon mixture with the given component-wise flow rates (Table 3.6)
enters the furnace at 120oF and 45 psia.
LIGHTS
WATER
IS -
SID1
STEM1 -O
FEED
SID2 C>
STEM
BOT O
FIGURE 3.118 A flowsheet of a petroleum refining column
TABLE 3.6
Component Flow rate (bbl/day)

10
c2 100
C 600
3
1800
n-C 7500
4
30000
1-0, 42000
nrCt 250
H 0 250
2
ASHEN PLUS SIMULATION OF DISTILLATION MODELS 185
The pomp around circuit (for cooling) and the side stnpper are specified with the
following information (see Table 3.7).
TABLE 3.7
Location Specifications
i
Pumparound Draw Return Flaw rate Temperature

idrauoff type) stage stage (bbl/day) feF,
I (partial) 8 6 40000 20
Location
Stnpper No. of Stnpper Draw Return Stripping Bottom product

stages product stage stage steam flow rate (bbl/day;
1 5 SID1 12 10 STEM1 15000
Two steam streams, used in the column model, are described in Table 3.8.
TABLE 3
Specifications
Steam stream Location Temperature (8F) Pressure (psia) Flow rate Ob/hr)
STEAM Main tower 350 50 12000
STEM! Stnpper 350 50 5000
Selecting the PENG-ROB base method under RE FINE RV process type simulate ,
the model using a PetroFrac column and report the flow rates (bbl/day > of all
product streams.
Part II
Chemical Plant Simulation

using Aspen Plus
Aspen Plus Simulation of
Chemical Plants
4 1
.
INTRODUCTION
In the last three chapters, we have studied in detail the simulation of individual
processes, such as flash drum, dryer, chemical reactor, distillation column including
petroleum refining process, absorber, stripper and liquid-liquid extraction unit, using
Aspen Plus software. Here, by a 'chemical plant' we mean a chemical process
integrated with several single process units. The chemical process industries usually
include flash chamber, mixer, splitter, heat exchanger, pump, compressor, reactor,
fractionator, ilter and so on. It is easy to simulate even a large chemical plant by the
use of Aspen software package.
In the present chapter, the simulation of two chemical process flowsheets is
discussed. They are a distillation train and a vinyl chloride monomer (VCM)
manufacturing unit. Ater thoroughly reading this chapter and simulating the solved
examples in hand, we will be able to use Aspen Plus flowsheet simulator for solving a
wide variety of chemical plants. To improve the flowsheet simulation skills, it is
recommended to solve the problems given in the exercise.
4 2
. ASPEN PLUS SIMULATION OF A DISTILLATION TRAIN
Problem statement
A hydrocarbon stream H is supplied at 50C and 2.5 atm. The pump Pi discharges the
feed F at 10 atm. In Table 4.1 the component-wise low rates are tabulated for stream H.
The schematic representation of the complete process integrated with a pump and
ive DSTWU column models (Cl, C2, C3, C4 and C5) is shown in Figure 4.1.
189
Copyrk
TABLE 4.1
Component F/ouj rate (kmol/hr)
10
35
50
130
200
180
200
n-C.
5
pi C1 C2 C3 C4 cs
FIGURE 4.1 A lowsheet of a distillation train.
For Aspen Plus simulation of the distillation train, required information are given
in Table 4.2.
TABLE 4.2
Column Condenser Reboiler

(abbreviation) pressure (aim) pressure (atm)
Deethanizer (CD 9 9
Depropanizer (C2) 5 6
Deisobutanizer (03) 4 4
Debutanizer (04) 3 3
Deisopentanizer (05) 2 2
All distillation models have total 20 theoretical stages (including condenser and
reboiler) and a total condenser. For the light key (LK) and heavy key (HK), we expect
99.9% and 0.1% recovery, respectively, in the distillate of all columns. Using the Peng-
Robinson property method, simulate the distillation train and report the compositions
of all distillation products.
Simulation approach
From the desktop, select Start button followed by Programs, AspenTech, Aspen
Engineering Suite, Aspen Plus Version and finally Aspen Plus User Interface. Then
choose Template option in the Aspen Plus Startup dialog (see Figure 4.2).
Copyrighled malarial
\SI'KN PWB SIMULATION OP CHKMK \l PLANTS 191
hmbj_lj__bJ'ii mmLii-jd .3 J.i.'isim i. :
si
In ro..-
AM n i.tu.
1 1"
-
.' I 1 «
FIGURE 4.2
As wo hit OK button, the following window appears (sec Figure 13). Based on the
units used in the problem statement we select General with Metric Uliits,
,
in-i
.
1»
1- . l-.
<- r< mil I-'

.- J - .
.
I J I"-
_
I
'
FIGURE 4 3
'
Press OK and obtain the Connect to Engine dialog. Select Local PC as Server type
and click OK. Actually, this step is specific to our installation (see Figure 4.4).
Connect to Engine
Server type:
User Info
Node name:
User name;
Password;
Working directory:
Save as Delaull Connection
OK ] ExB Help
FIGURE 4.4
Creating flowsheet
The next screen represents a Process Flowsheet Window. Add a pump by selecting the
Pressure Changers tab from the Model Library toolbar. Moreover, in the library, select
the Columns tab and then choose DSTWU model to include five such columns
consecutively on the flowsheet. Notice that to incorporate a block click on the ,
appropriate icon and then place the block on the process flowsheet by clicking with the
cross hairs somewhere on the l
f owsheet background. Right click to de-select the block.
Now we need to interconnect the blocks and add the inlet as well as outlet streams.
Select Material STREAMS on the left of the toolbar at the bottom In the next, as we .
move the cursor to the process flowsheet window several red and blue arrows appear
,
around the blocks. The red arrows indicate required streams and the blue arrows are
optional. In the previous chapters, we have learned how to connect the feed and product
streams with a single block.
Let us observe Figure 4.5 to know how to interconnect the two blocks by a stream.
Here, first we wish to interconnect the pump PI with the column Cl using the feed
stream F. Right-click with highlighting feed block select Reconnect Destination and
,
then move the cursor to click on an arrow that is fed to the column Cl.
m o
-
QD-o
SOD-*
r ]-o
PI Cl
FIGURE 4.5
ASPEN PLUS SIMU1.ATION OF CHEMICAL PLANTS 193
We can select Reconnect Source instead of Reconnect Destination if we modify

Figure 4.5 to Figure 4.6.
j3L D1
B1 c>
C1
FIGURE 4.6
By the same way, interconnect remaining blocks. Renaming all blocks as well as
incoming and outgoing streams, finally we have the screen shown in Figure 4.7. To
rename a particular stream (or block), i
f rst select it, then right-click, next select Rename
Stream (or Rename Block) and i f nally enter the appropriate name.
Re E« Vto» On Took tin Uban Whe

f n Help
H _J iU _l J
kl
5","*,s Oirwu o ai
, SCfuc PMiofioc BMefiai Boictfuc
C |iFold».mo»IVilH HUM fw»llr»J
FIGURE 4.7
The status indicator in the bottom right of the window, shown in Figure 4.7, says
Required Input Incomplete indicating that the process flowsheet is complete and input
data are required to enter for running the simulation.
As we hit Next icon and then click on OK, the following window pops up (see Figure 4.8).
Remember that in the Data Browser, we need to enter information using data input
forms at locations where there are red semicircles. As we inish a section, a blue
checkmark appears.
» r- -i'iv
-
lie ,
FIGURE 4.8
It is always a good practice to represent a simulation problem with enteing a title.

In the Tattle field, enter 'Simulation of a Distillation Train'. Note that we may change
the input/output data units under Units of measurement (see Figure 4.9).
I r i-l I 17 -i.gi i «(i
V-H
-
id* ~ ' . -
figur: m 9
The next window (see Figure 4.10) includes the Aspen Plus accounting information ,
as given below, required at some installations.

ASPEN PLUS SIMULATION OF CHEMICAL PLANTS 195
User name: AKJANA

Account number: IIT-KGP
Project ID CHEMICAL
Project name: DT
-
o- i S *
MM -
FIGURE 4.10
If we want the streams results summary sheet to display mole fractions select ,
Report Options under Setup folder to the let

f Under the Stream tab select 'Mole' as ,
Fraction basis (see Figure 4 11) .
n fT7
-
- .
i i
-
*- . -
-
»
u>U>i
.
2}' I
-
n .
- .« <
FIGURE 4.11
In the subsequent step, use the Data Browser menu tree to navigate to the Components/
Specifications sheet. It is shown in Chapter 1 how to define components in the component
input form. Here, we have this table as shown in Figure 4.12.
fc E* *p. ftw To* R»
i r l-l .l- fT >i -"Pi I iai
g :.r.: Fopui
C2
CJ
C*
IU
cs
.
*
!S
*
_
j wy tm
1: - . .
_
J O pOa**
.
i i r
id
5 -.
_
| > M<MVnt«« -J
FIGURE 4.12

In the list on the left , choose Properties/Specifications to obtain the property input form.
A property method includes the models and methods to calculate the physical properties,
such as vapour-liquid equilibrium coeficient enthalpy and density. For the example ,
plant, set PENG-ROB base property method by scrolling down (Figure 4 13). .
5* C*, T** P« U , Wnajt. tt*
I 3
J DM
.
3
PT
FIGURE 4.13
ASPEN PLUS SIMULATION OF CHEMICAL PLANTS -f 197
Note that there is no compulsion to use only a single thermodynamic property

method for all processes in a chemical plant. Aspen software provides an option to
choose different property methods for different processes. To do so select Block Options! ,
Properties under a particular model of Blocks folder in the list on the left and then
choose the suitable property method.
Specifying stream Information

The Streams/H/Input/Specifications sheet appears with the Data Browser menu tree in the
left pane. Entering the given data for stream H, we obtain the sheet as shown in Figure 4.14.
j T-i i-i r>

-
'
i-w I'M -
3
"
3 j. a. -j],. ,. j
t i»» .rtl.m '-if

t
2j twi- m*.
' ". : ww. r w sit.
FIGURE 4.14

As we hit Next button the block input form appears. The deethanizer column is specified
,
with the given data as shown in Figure 4.15.

arn<tv*\
* & V- tm, r , m
31i£iai _U *iB| 51 nl-mi*!<l
.
_
1 "
: ; £
it:
6 :
imua h** m tffl
FIGURE 4.15
Subsequently, the filled input forms are shown in Figures 4.16(a), (b), (c) and (d)
for other four DSTWU columns.
fir. Prt Ubfwy WMM
-
LT-
t p u**
a
neb*.
»>y ctnponent Condentei ipertcalun!
(a
Ct«p fo
1 F
-
Rww jo O
i
C3
O St*: G<t<-C-.
r>n»m
] .JtdiJ Trim
FIGURE 4.16(a)
J iiiJ JZi J
_
_
iJ~_
|0 IrcU 3Mt I HJilJ -3 U
_
j V- n CdaimxtOebor* j Convagervt
.
) .an d Ptuiite
i pi
a Wumbe.
- tjf
j
Reba» fT
_
.
U B3 r Reftw .aha
*
6-
-
_
1
.
U K
I J W
Ccrrp fic<
_
.
0 02 3]
_1 M
'
-
_
j W
j _, D£
Reow (0 CO)
S M Cl
jfi : .
ftco- It* cm
RMI
t
P»u
r t
I I Sob* I UMModt
k
Km-
Fv H* cm F"
FIGURE 4.16(b)
Si ioj _U 51 riKifci- l-M 3) _J_JjiJ ji) 5j
i _
J «
(7 ll**c»*
*
Zl r i »>-
S H
-
J '
-
J -
-
1 «
as
I HMtKfaan | Colm | Rucmt | Pimm*!

-
CH
MM
M- FSptr SSpM
C iFMiStavPUtn NUN f «w*Jkci41
i
FIGURE 4.16(c)
t
Pa Jrav
f iimii
f
"
CondEnia f
u «
_
J w
_
J .
-
- I
f" Mraeon || Hn.f

HMra/lrfi-"nan || f[«*jit
.
Him rp., | Coupni | RmcV<. | Prwtti.Ch»»n | tWiMi t Set* | UtpUM* |
-
CM
Hp
flflUMS ' U** V *
,
C a(*t«J r tI> HUN ,«*«rJKmvwa u
FIGURE 4 16(d) .
r and specify the pump (PI) outlet by providing the discharge pressure
Click on Afet
of 10 atm (see Figure 4.17).
FU Jtnry Wndov. I Ms
HA
L TJ i i
-
J2J
"
r Preci.ie "iciMie
r Pt«tiu>«(Mo
"
I I 3
) <Jfti«mr* (kthnjs condhoni
Saiw
ij»t SutrciJine
£0 MM
Sw&wjm -1
j <Ch« 'il-IA=r'Ari j 1 JAcw | -J U- q Tern} Atpei> Pk» - Simi
FIGURE 4.17
The status bar in the window, shown in Figure 4.17, includes a message of Required
Input Complete; it reveals that to run the simulator, sufficient data have been provided.
But there is no such restriction that we cannot specify the process with more input
information. Again, as we click on Next, Aspen Plus shows a message under the heading
of Required Input Complete as shown in Figure 4.18.
J T -
1-1. I pr H jsn l -iai
/Specic
f aliooij Clf fcOalKr. OsHjw ] flaihOphor.t
wni
D>38
(? Ptmp
0 EWSK
j Rtcnc
"
"
3
3
P Result
_
J
ro-jcertrterma'eincxJ To no'rr roi ed»i ijncd »

Al Mea ' c fx :- Hm - * Osu .>: -- (Mnu.
Ptnp.
I W ci
-
ai c;
j a o
.
ai «
.
a pi
EOCorwOpe
t n
-
Q -
iM
. 9 -m *
FIGURE 4.18
ASPEN PLUS"' SIMULATION OF CHEMICAL PLANTS 201
Notice that if there are no red semicircles in the let

f it can be said that the data,
entry for running the Aspen simulator is complete.

As we approve the simulation run, the Control Panel, displayed in Figure 4 19, .
shows
the progress of the flowsheet simulation in addition to a message o[ Results Available .
1
.
B a
B O
B w
Z '
93 us states; ~. Jt mu tjxll huz - jjtkt:
n a = c» n
z. =i3»i arc:
lice* a Bsmi: csrta
fi" -
v. ex.
." -vOS
FIGURE 4.19
Viewing results
Choose Results Summary /Streams in the column at the left side and obtain the
compositions of all distillation products as shown in Figure 4.20.
We may save the work by choosing File/Save As/...using the menu list on the top.
W< tan give a name of the file whatever we like. Note that if we click on Stream Table,
the results summary table is incorporated in the Process Flowsheet Window, as shown
in Figure 4 21.
.

If we wish to have the systematic input information, press Ctrl + Alt + I on the keyboard
or select Input Summary from the View pulldown menu (see Figure 4*22).
In order to create a report file (*.rep) for the present problem, we may follow the
approach presented in Chapter 1 It is worthy to mention that the report file contains
.
all necessary information on the solved Aspen Plus problem including given process ,
data and computed results

3 >bJ.'<IP~~3»l-i g|
C- « 1 J .
~
J Cv CMn
Wit T a!
o . B -
am
"
TW
"
nrw
9 - l
Tia HH
"
i.r.T
e - - - -
n TTEB 1 m mid
" 1 '
e tUi sm 1 TTB 1 nuif 1m muf
- ~ ~ " -
B nn- TW Mi
" '-
IB ttd- rw- rfq|p !. 11 nnu Tii- BM 1

1
Hm
.
- -
RD UB ' Wi 1 UK TW
"
-
.
4 2j
TS ~
a TBS
"
713 us 1 TB 1
S
" ____ ,
BB TRC -
IMl
"
irK. iv -.
MM. ' | U.I
tmufi *M ««
FIGURE 4.20
i MIBlJBI
-
WPT |-3i-«Hil%l-g|w| -?i ! M .jiyial

r|st7,|-|..|j fV .| .|E| Bj «i|c|
1
.r
lOmm* I " I Ho I
FIGURE 4.21
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rrrvJ |t«i1«t<«i of a DUinUtlon TrtU
MCW-aetrr i<ol( -OtNSrrr- tuol' c-ji

'
voilM-CM otir*-!
for Inpm: Ho1«

Stream report ct xnltiwi: «o1t fli
SOLIDS 1MMCAMIC
W-SDUKCS Wll / -QOWWS SOLIDS INOtMMC
CI C2M I
( 1 ClHt
1C4 C4H10-2 i
' ' C4N10-1 /
IC1 CSH12-; '
ici cvai-i /
MCt CftfU-1
LCMMKT
1LOW C» I«l-e4 O'JT-O) Bl
.LOCKC4 IWt} O'.n-.oi M
ukk ci in-c; out-03 el
FIGURE 4.22
43
. ASPEN PLUS SIMULATION OF A VINYL CHLORIDE MONOMER
(VCM) PRODUCTION UNIT
Problem statement
The process flow diagram for Aspen Plus simulation of the vinyl chloride monomer
manufacturing plant is shown in Figure 4 23. The flowsheet has been developed based .
on the VCM production technology reported in a book by Seider et al (1998). .
O-fcmi
O-feu
BB 66 B7
F10
[purge]-o
FIGURE 4.23 A flowsheet of a vinyl chloride monomer production unit .

204 PROCESS SIMULATION AND CONTROL IISINO ASRKN
Pure ethylene, stored as a gas at 70oF and 1000 psia, with a flow rate of 20 tons/hr ,
and pure chlorine, stored as a liquid at 70oF and 150 psia, with a flow rate of 50 tons/hr
enter the mixer block Bl operated at 2 atm. The mixer outlet Fl then goes to the
reactor B2 run at 363 K and 1.5 atm. In this stoichiometric reactor (RStoic), the following
chlorination reaction occurs with 98% conversion of ethylene to 1, 2-dichloroethane:
C2H4 + Cl2 -> C2H4C12
ethylene chlorine dichloroethane
In the next, mixer B3 operated at 1.4 atm allows the mixing of the recycled stream
F12 with the reactor product F2. The outlet stream F3 is then condensed fully to liquid
phase in block B4 at 298 K before being pumped to an evaporator. The pump B5 has
discharged the liquid at 26 atm. The evaporator B6 performs the phase change operation
and then the vapour temperature is increased in the same unit to 515 K. In the
subsequent step, stream F6 is introduced in the reactor B7 (RStoic) in which the
following pyrolysis reaction occurs:
C2H4C12 -> C2H3C1 + HC1
dichloroethane VCM hydrogen chloride
The dichloroethane is converted to VCM and it takes place spontaneously at 773 K
and 25 atm with 65% conversion. To reduce carbon deposition in the heat exchanger,
the hot vapour stream leaving the reactor is quenched in block B8 yielding a saturated
vapour stream at 443 K. Quencher effluent stream F8 is condensed to liquid phase in
block B9 at 279 K and then fed to a DSTWU column B10 as stream F9. In the next ,
Stream F10 is introduced in another DSTWU column Bll. The first column mainly
separates HC1 from other components, while the second column purii f es VCM from the
rests. Both the distillation columns have 10 theoretical stages (including condenser
and reboiler) and a total condenser along with the specifications shown in Table 4.3.
,
TABLE 4.3
% Recovery of LK/HK in distillate Pressure (atm)
Block Light key (LK) Heavy key (HK) Condenser Reboiler
B10 99.9% of HC1 0.1% of VCM 20 22

Bll 99.9% of VCM 0.1% of dichloroethane 75 .
8
Finally block B12 (FSplit) splits stream Fll to ensure the recycling of 99.999% of
Fll as F12 stream to mixer B3. A purge stream is introduced to prevent accumulation
of unreacted components.
Using the POLYSRK property method simulate the complete plant to compute the
,
composition of all streams.
Simulation approach
To start Aspen Plus package select Aspen Plus User Interface under Programs. When
,
the Aspen Plus window pops up choose Template and click on OK. In the next, select
,
Polymers with Metric Units (see Figure 4.24) and press OK button.
- . . r .ii.-i.*. Ti 3 . i i .rj 3 a
i : ; : I -i
-.
-
:
HZ]
FIGURE 4.24
Click OA" when the Aspen Plus engine window appears to obtain a blank Process
Flowsheet Window.
Creating flowsheet
We can develop the process flow diagram (see Figure 4.25) by incorporating the following
IpF -I- I I- IT MCI I m ti
ED
413
? 4f
FIGURE 4.25
built-in process units available in the Aspen Plus Model Library:

two mixers (Bl and B3)
two Stoic' type reactors (B2 and B7)
four 'Heater1 type heat exchangers (B4, B6, B8 and B9)
1
one Tump type pressure changer (B5)

two T TWIT type columns (BIO and BID
'
one TSplit type splitter (B12)

All the blocks and streams are renamed according to the problem definition.
The status message directs us to provide the input information required to run the
complete Aspen Plus simulation program. In the subsequent sections, we will i
f ll up
several input forms one by one.
After creating the l
f owsheet for the VCM manufacturing unit hit Next button followed ,
by OK to open the Setup /Specifications / Global sheet. In the following the first screen , ,
shown in Figure 4.26(a), includes the Title of the present project as Simulation of a
VCM Production Unit' and the next screen displayed in Figure 4.26(b), shows the ,
Aspen Plus accounting information as given below .
User name: AKJANA

Account number: SAY X
Project name: AS YOU LIKE
t
f * Edl ««. Dal* TotU f*jr. linry Wndw Help
DNBi L JMjaj jg| dvlfeM M n>i -j -1 |h| a| -4 M a|

_ -
© SjtuIblco Cf
|SiT«iabon oi a VCM PieducUon Urd
itm&iB Gfcbal jetting,
_
O irouldars fwiT 3
Input mods
v Sf>ec/>awrn
Sueam das:
31
Flovbuc 3
it Jj Pew Oiar»a*fo
3
r Um see
£1 Cvre-ljdi
it; O Parw
> r j Mntof 4t "i Tents -J
5Tft£*MS
ssft.
FIGURE 4.26(a)
ASPEN PLUS SIMUI.ATION OF CHEMICAL PLANTS 207
Qi BI _
LJ *j«J .] r5h-|t
f l»N|w| mj rj J_iilj _J J
I r -i-1-i Fir -
t lei, I i«l MhJ
Mi*
FIGURE 4.26(b)
We wish to have streams results summarized with mass fraction basis that is not
set by default. Accordingly, we choose Mass' fraction basis in the Report Options/
'
Stream sheet under Setup folder (see Figure 4.27).
«. Ea '<W Tm> V< - tat, AWl- -*k
DIQ*IHI
'
J .
1 - M|
11 >id illF-Z]»J iJ _
OKI to U rciM r. f
f MaitcV
P Hbi
P Ir-imi .«! no >» j tKW,
I .1
FIGURE 4 27
The components that are involved in the monomer manufacturing process are ethylene
(C2H4), chlorine (CI2), 1,2-dichloroethane (C2H4C12), vinyl chloride (C2H:iCl} and hydrogen
chloride (HC1). In order to get a blank component input form, choose Components/
Speciftcatiojis in the left pane of the Data Browser window. Defining all species in the
Selection sheet, we have Figure 4.28.
1 (ComponaO Spooftoiioni . Dal a Bnnrasr) ma

Data Tods fkn Plot Library Window Hdp
510*101 _
Tii.J J
JT _1_M.
_
Setjr
Selection] Pelidftum | Noraiorivenliona! j-/Dalabanl s |
Soedicatona
0 Smjiaion Options Define comp«*nli
Q Slrean- Class Componerit ID Type Comconent name Foirtiula
::h4 Conventtonal ETHYLENE C2H4

J/) UrUs-S«S
CL2 Conventional IHLORINE ri;
( Custom Unrts
Q Report C ions C2H4CL2 Conventional 1 2-DICHL0R0ET r :h4
.
.
Cemporwrti Conventional VINYL-CHLORIDE C2H3CL
HCI Conventional HYDROGEN CHLC HCI
r .e s
Lg l-End Propet >
*
Jj Petrc Cha cterzatoi
FieudoccmocneiTts
I t-'enf - Comps
iMFJCGrtupi
'
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.
J/] Comp-Ltsts
_
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PfOpefti«
| Stocks
'
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'
I Corv-ergence
'
1 Flowsheeling Oplons
'
j Modd -ViaSyas Toots

EOCorfgurabon
z1
fif Miyeu/Splittets | Sepaialoi Heat Exchargeti ] Columns ) Reactots ) Ptestute Changei: ] Manpulatots j SoWs ) Usei Modeit ]
Matei.at
STREAMS ' »m FSpS SSpK
ForHe*j.pn»j Fl C\. gFtAlfla\Aip«nPliji 11 1 NUM fiML«<! tTua netwowK
'.
ami s - jjChapter4 1*00 | Oiapler I - Mero | T) Uidii Teimi I* | Aspen f\j» - VCM [| Aspen Plus « 9 C . '656
FIGURE 4.28

f cations to set the property method.
In the subsequent step choose Properties/Specii ,
As mentioned in the problem statement accordingly select POLYSRK base method ,
under POLYMER process type (see Figure 4.29).

From the Data Browser ,
choose Streams folder and see the name of all input, output
and intermediate streams. However, we have to provide information for only two input
streams, C2H4 and CL2 which are fed to the mixer block Bl. Figures 4.30(a) and (b) ,
show the filled stream input forms.

ASPEN PLUS SlMULVnON OF CHEMICAL PLANTS 209
IM tp ... .' i ~ . .
CiftUl .-I i c|g| ni-«-|cl%l-3M ml I M "I ?l -I Li

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in fHMM
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FIGURE 4.29
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IB 1 - f
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FIGURE 4.30(a)
ASPEN PLUS SlMULVnON OF CHEMICAL PLANTS 209
IM tp ... .' i ~ . .
CiftUl .-I i c|g| ni-«-|cl%l-3M ml I M "I ?l -I Li

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FIGURE 4.29
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'
210 PROCESS SIMULATION AND CONTROL USING ASI KN
n. o
t n Pin Stn.l*>on 1 [SlrBM C.L3 WATEBIAL) kyU IMa ttowwrl -
Data Tools Ruti rlol
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SiMnamnaiM p MlxtD 3
Q SptdfKationl Slate vaftaWe-. Compojitioo
.
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t j Pafanrten cm
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Material
STREAMS 1 FSpia SS|*
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t orevin : C:\ gFoWee
r '-AspoiPlusIt 1 NUM Rt»ju«ed ir<x£ TTC0ncJ«»t
3*1 S i Chaptera Aipen Plus - Smjali
FIGURE 4.30(b)

Unlike stream information , we need to input required data for all blocks of the process
flow diagram. As stated earlier the lf owsheet of the VCM plant consists of two mixers, ,
two reactors, four heat exchangers one pump, two distillation columns and one splitter. ,
Although discussed during the Aspen Plus simulation of different single process units
in the preceding chapters, we must remember the following points when we i f ll up the
block input forms.
To simulate a mixer model, at least provide the pressure data and valid phases.
In the simulation of the reactor model coefficients should be negative for ,
reactants and positive for products .
In the Vapour fraction field of a heater model put 0 to indicate bubble point ,
and 1 to indicate dew point. For subcooled liquid and superheated vapour, use
Flash specifications.
The windows, shown in Figures 4.31(a) to 4.31(n) display the block-wise information
using the input forms.
ASPEN PLUS SIMULATION OF CHEMICAL PLANTS T
f* e* d*»
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1"
212 PROCKSS SIMULATION AND CONTROL USING ASPKN
jag|y| I I ite|ll8| ffj aMfkltKH H 2J-Liil)-2J iil -I J
Read arts
Compwienl
C2H4 i C2H4d2
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forHab press F1
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FIGURE 4.31(c)
Aapen Pk> CH4 SeC 4

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214 * PROCESS SIMULATION AND CONTROL USING ASPEN
< : E* «»« Ml T-)C<5 Run Pic' Uw> H*

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FIGURE 4.31(g)
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FIGURE 4.31(k)
Fie Edl 4ew Dots Toott F>in Plot U«*v Wmdcw Hdp
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ASPKN PLUSIM SIMUI.VriON OF CHEMIC-VI PL\NTS 217
uMiei | i ibj I nhlit Hhi J

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FIGURE 4 31(n)
'
218 PROCESS SIMULATION AND CONTROL USING ASPEN 1 M

As we press Next button, Aspen Plus displays a message as shown in Figure 4.32. Since
the data entry is fully complete, the simulator seeks user permission to run the program.
Dltfiui j | fricl gj n\'(\%\**\<W\ H I >! |h| ] v| gj

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STREAMS 1 Mew SSpi -
I rjOap:a4 t rjsfi Ware j jjte«". rtata MgM A>pm Ptu. - Sn-AW
FIGURE 4.32
As we hit O-K button on the message the Control Panel window appears as displayed ,
in Figure 4.33. It usually shows errors warnings, convergence status, etc. ,
gaBSBEsai
*) £ Cm IceM umj WrDo* m» 4uS
J £
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FIGURE 4.33
Viewing results
Choose Results Summary /Streams in the column at the left side and rearrange the table to
get the results in the form as shown in Figure 4.34 Save the work positively at this moment. .
_ _
r -i i I'-f -
i HOI
jaTS i »M«Hr- ..|.|_.|n.|
il .
1 .
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1 <«U< I UVMMW ]
Hmmt AMkw Kffto MTHM5T
FIGURE 4.34

To obtain the input information of the present project, select Input Summary from the
View dropdown menu (see Figure 4 35). .
UK* e: umeI o«t.».'
sntew CiiM
."
n -ncw cl2 y>. ctorn'tr*
UOC. BiO MT,«j
FIGURE 4.35

In the previous chapters, we have studied the steady state simulation of a large variety of
individual process units using Aspen Plus package. In the present chapter, several chemical
processes have been assembled to develop the chemical plants and those plants have
been simulated subsequently. The solved examples include a distillation train and a vinyl
chloride monomer unit. In the second example, the loop is closed by a recycle stream,
whether in the irst unit, there is no such complicacy. However, the straightforward
approach to simulate a lowsheet is that ater developing the process low diagram in the
lowsheet window of Aspen Plus, we can simply use Next button for data entry. As we
receive the message of Required Inpu t Completey we can move on to run the simulation.
In the next two chapters, we will study the process dynamics and closed-loop control of
low-driven as well as pressure-driven processes using Aspen Dynamics package.
PROBLEMS|
r
4. 1 A hydrocarbon stream with component-wise low rates, shown in Table 4.4, enters
the isentropic compressor at 120oF and 1 atm. The compressor has discharged the
vapour stream at 3 atm.
TABLE 4.4
10
95
150
n -C4 25
/i-C3 10
n-C 100
6
The complete process lowsheet for lashing and stripping operation is shown in
Figure 4.36. The lash drum (Flash2) runs at 1250F and 2.8 atm. The stripper
(STRIP2) has total 6 stages (including condenser and reboiler) and bottoms to
feed ratio (mole basis) is 0.8. The feed stream to the stripper is introduced above
the top stage and the pressure throughout the column is 2 atm.
V24
I 0 1
COMPRESS FLASH STHiPPER
FIGURE 4.36 A flowsheet for flashing and stipping operation .
CopyHghlod material
ASPEN PLUS SIMUIJUION OF CHKMICAL PLANTS 221
Using the UNIQUAC property method, simulate the plant to compute the product
compositions and flow rates.
4
.
2 A ternary mixture, as shown in Table 4.5, is fed as stream H at 100oF and 290
psia to a pump Pi employed to increase 20 psi pressure.
TABU 4.5
Component Flow rale (Ibmol/hn
500
300
"
r 11, 10
The stripper (STRIP2) has total 100 stages (including condenser and reboilen
with a reboiler duty of 107 Btu/hr Stream F enters above 70th stage and Stream
R) mien above 1st stage. The top stage pressure of the stripper is 280 psia
with a stage pressure drop of 0.5 psi The intercolumn pump P2 has increased
25 psi pressure The RECT column has total 120 stages (including condenser
and reboileri with a reflux ratio (mole basis) of 10 and a bottoms to feed ratio
'mole basis) of 0.6. Stream Dl enters below 120th stage. In the simulation,
consider condenser pressure of 275 psia with a pressure drop of 5 psi and a
stage pressure drop of 0.1 psi (see Figure 4.37).
0
-
0
PI 8TRIP2 ' w"
FIGURE 4 37
.
A flowsheet of a propylene-propane mixture separation process
Applying the RK-Soavc thormodynamit mod* I

(a; simulate the above propylene propane mixer Beparation plant and report the
product compositions, and
f rm the seneitivity aaalysifl to observe the effect of the second column
(by pero
f om 20'/. to 10091 on the propylene mole fraction in the
efficiency varied r
distillate
4 . 3 The hydrogenation of aniline produces cyclohexylamine in a CSTR according to

the following reaction:
CgHgNH;, + 3H2 -) CgHnNHs
To simulate the aniline hydrogenation process using Aspen Plus, we develop the
process flow diagram as exhibited in Figure 4.38.
FA
S-o
C>-I ANILINE
El
PUMP
CD-
C>-| HYDROGEN I-I
CSTR
COMPRESS
FIGURE 4.38 A flowsheet for aniline hydrogenation.
The reactor model (RCSTR) operates at 580 psia and 2480F, and its volume is
1200 t3 (75% liquid). For the liquid-phase reaction, the inlet streams have the
speciications, shown in Table 4.6.
TABLE 4.6
Stream Temperature Pressure Flow rate

(0F) (psia) (Ibmol/hr)
ANILINE (pure aniline) 95 100 150
HYDROGEN (pure hydrogen) 12 100 600
Both pump and compressor (isentropic) have discharged the fluids at 585 psia.
Data for the Arrhenius law are given as:
Pre-exponential factor = 5x 105 m3/kmol . s
Activation energy = 20,000 Btu/lbmol
[CJ basis = Molarity
Use the SYSOPO base property method in the simulation. The reaction is irst-
order in aniline and hydrogen. The reaction rate constant is deined with respect
to aniline. Simulate the process and compute the component mole fractions in
the liquid product and the vent stream.
4 . 4 The process flow diagram for an azeotropic distillation process is shown in
Figure 4.39. The technique involves separating close boiling components
(acetic acid and water) by adding a third component (vinyl acetate), called an
entrainer, to form a minimum boiling azeotrope which carries the water overhead
and leaves dry product (acetic acid) in the bottom. The overhead vapour is
condensed and then separated in the decanter into two liquid phases: the organic
phase and aqueous phase.
DECANTER
1 VA-RICHh
DIST
VA
1 FEEDf
HW-RICHh
AA
RADFRAC
FIGURE 4.39 A flowsheet of an azeotropic distillation process .
A feed stream, namely FEED, enters above 15th stage of the azeotropic distillation
column at 330oF f ow rates, shown in Table 4.7.
and 90 psia in addition to the l
TABLE 4.7
Component Flow rate (Ibmol/hr)

acetic acid 2700
water 500
The entrainer, VA (vinyl acetate), with a flow rate of 455 Ibmol/hr enters above
12th stage of the column at 200oF and 100 psia. The azeotropic column (RadFrac)
has the following specifications:
Number of stages (including condenser and reboiler): 55
Condenser type: total
Valid phases: vapour-liquid-liquid
Reflux ratio (mole basis): 4
Bottoms rate: 2700 Ibmol/hr
Condenser pressure: 66 psia
Column pressure drop: 12 psi
Key component in the second liquid-phase: water
Stages to be tested for two liquid-phases: 1 to 55
The specifications for the decanter model are noted below:
Pressure: 50 psia
Temperature: 110oC
Key component in the second liquid-phase: water
Using the NRTL RK thermodynamic model simulate the process to compute the
-
component-wise product l
f ow rates.
4 5 A hydrocarbon stream H is at 50C and 2.5 atm. The pump has discharged the
.
liquid feed F at 5 atm. The component-wise low rates are shown in Table 4.8 for
stream H.
TABLE 4.8
35
C3 50
i-C, 130
n-C 200
4
'-
c5 180
n-C 200
5
n-C 5
6
In Figure 4.40 the schematic representation of a hydrocarbon separation process

integrated with a Pump, three DSTWU columns (Cl, C2 and C3) and two RadFrac
(RECT) columns (CR1 and CR2) is shown.
DRl DR2
CR2
CRT
BR2|-0
BRI
G1
PUMP
h
C2
C3
B3 | C1 B2}<>
FIGURE 4.40 A flowsheet of a hydrocarbon separation process .
AH DSTWU fractionators have total 20 stages (including condenser and

reboiler) and two RECT models have 10 stages (including condenser and reboiler)
with no reboiler. The specifications, shown in Tables 4.9(a) and (b) are required
,
for simulating the process.

«PEN PLUS SIMULXTION OF CHKMICAL PLANTS 225
TABLE 4.9(a)
* Recovery of LK/HK in distillate Pressure (atm)
Block Lighi key Heavy kev Condenser (type) Reboiler

IK (HK)
Cl 99 of r»-C4 1% of i-CB 4 (partial condenser with 4

all vapour distillate)
C2 99* of t-C4 21 of n-C4 1 5 (total condenser)
.
15 .
C3 99* of 1-C5 4* of n-C5 3 (total condenser) 3
TABLE 4.9(b)
Block Condenser Distillate to feed ratio Pressure

(type) (mole basis) (atm)
CR1 Partial vapour 02 .

2
CR2 Total 05 .
15
Applying the Peng-Robinson property method, simulate the separation process

to compute the flow rates and compositions of all product streams.
4 6 An inlet Stream H supplied at SOT and 300 psia is compressed to 4000 psia by
.
the use of an isentropic compressor Bl. Stream H has component-wise flow rates,
shown m Table 4.10.
TABLE 4.10
Component Flow rate (Ibmol/hr)
mtrogen 100
hydrogen 300
ammonia 0
carbon dioxide 1
A flow diagram for the ammonia process (Finlayson 2006) is shown in Figure 4.41.
,
B '
m-<
H-
0 H"
ED-0
Bl B2 B3 84
FIGURE 4 41 A flowsheet of an ammonia process

Stream Fl is mixed with the recycle stream F8 in a mixer block B2 operated at

4000 psia. Before introducing into the reactor, the mixer eluent F2 is heated in
block B3 to 900oF at 4000 psia. Note that the reactor (RGibbs) B4 runs at 900oF
and 3970 psia. In the next, the reactor outlet F4 is cooled in a heat exchanger
B5 operated at 80oF and 3970 psia. The flash drum (FIash2) B6 produces Streams
Bl and F6 at 80oF and 3970 psia. In the subsequent step, Stream F6 enters the
splitter (FSplit) B7 and 0.01% of it is used as purge. Finally, an isentropic
compressor B8 has discharged Stream F8 to the mixer block B2 at 4000 psia.
Using the NRTL thermodynamic model and the Newton's iteration method (from
the Data Browser, choose Convergence/Conu Options), simulate the ammonia
process to compute the component-wise low rates and compositions of all streams.
REFERENCES |
Finlayson, B.A. (2006), Introduction to Chemical Engineering Computing, 1st ed., Wiley
Interscience, New Jersey.
Seider, W.D., J.D. Seider and D.R. Lewin (1998), Process Design Principles: Synthesis,
Analysis, and Evaluation, 1st ed., John Wiley & Sons, New York.
Part III
Dynamics and Control

1
using Aspen Dynamics
CHAPTER
Dynamics and Control of

Flow-driven Processes
51
.
INTRODUCTION
Dynamic -imulation of a chemical process greatly helps to understand the transient

behaviour Aspen Dynamics , which is tightly integrated with Aspen Plus is widely
,
used for process design and control. This powerful simulator can automatically initialize
the dynamic simulation using the steady state results of the Aspen Plus simulation .
Interestingly, when the i f le containing the flowsheet is opened in Aspen Dynamics the,
default control structures are already installed on some loops Usually, level, pe
.
r ssure
and temperature controllers are included where appropriate However these default
,
control schemes can be modified or even e r placed with other suitable control loops
available in Aspen Dynamic- package Note that there is a scope to include some
additional controllers for the used process Moreover this simulation tool provides a
,
graphical environment to show the process response.

To convert a steady state simulation into a dynamic simulation there are several
,
items that should be taken care of For example the size of all equipments must be
,
f ed and the control structures must be devised For steady state simulation using
specii
Aspen Plus the size of the equipment is not needed, except for reactors. On the other
,
hand ,
for dynamic simulation using Aspen Dynamics, the inventoies of material
contained in all the piece* of equipment affect the dynamic response .
Therefore, the
physical dimensions of all process units must be known.
When the steady state Aspen Plus simulation is exported into Aspen Dynamics, we
f ow-diven dynamic simulation or more rigorous pressure-
need to choose either simpler l
driven dynamic simulation Pres ure-driven simulations include pumps and compe
-
. r ssors
where needed to provide the required pressure drop for material flow Control valves
must be installed wheer needed and their pressure drops selected For flow-driven
,
simulations , however, no such arrangements are required.
229
In the present chapter, we wish to study the dynamics and control of the low-
driven processes. For this intention, we choose a reactor (RCSTR) as well as a distillation
column (RadFrac) example rom the model library of Aspen simulator.
52 .
DYNAMICS AND CONTROL OF A CONTINUOUS STIRRED TANK
REACTOR (CSTR)
Problem statement
Ethyl acetate is produced in an esteiication reaction between acetic acid and ethyl alcohol.
acetic acid + ethyl alcohol ethyl acetate + water
A feed mixture, consisting of 52.5 mole% acetic acid, 45 mole% ethyl alcohol and
2 5 mole% water, enters the RCSTR model with a low rate of 400 kmol/hr at 750C and
.
1.
1 atm. The reactor, as shown in Figure 5.1, operates at 70oC and 1 atm.
FIGURE 5.1 A flowsheet of a CSTR
Both the reactions are first-order with respect to each of the reactants {i.e., overall
second-order). For these liquid-phase reactions, the kinetic data for the Arrhenius law
are given below:
Forward reaction: A = 2.0 x 108 m3/kmol s
S = 6.0 x 107 J/kmol
Reverse reaction: k = 5.0 x 107 m3/kmol . s
£ = 6.0 x 107 J/kmol
Composition basis = Molarity

Here, k is the pre-exponential factor and E represents the activation energy. The reactor
geometry data are reported below.
Vessel type: vertical
Head type: lat
Diameter: 0,45711 m
Volume: 0.15 m3
(a) Simulate the reactor model using the SYSOP0 thermodynamic model to compute
the product compositions.
Copyrighied malerial
)YNAMICS AND CONTROL OF PI.OW-DHrVKN PROCKSSKS 231
(b) Report the default controllers tuning parameters and control actions used, and
constraints imposed on variables.
(c) Investigate the servo performance of the default liquid level and temperature
control algorithms and discuss the efect of loop interaction.
(d) Show the regulatory behaviour of both the controllers in presence of disturbance
in feed temperature.
Simulation approach
(a) To open the Aspen Plus Startup dialog box. click the desktop Start button, then
point to Programs, AspenTech, Aspen Engineering Suite, Aspen Plus Version
'
and then click the Aspen Plus User Interface. Let s select the option with
Template and then click OK (see Figure 5.2).
aWHl 1 I M*l oKlcl MwiH -| I I I -I J

L .H ! -i I i
o-tt rt m mots; am -
bHt mm 1 ; :_ tm
FIGURE 5.2
As the next window appears (see Figure 5.3), it is appropriate to select General
with Metric Units and hit OK button.
Here we use the simulation engine at 'Local PC When the Connect to Engine dialog
pops up (see Figure 5.4), press OK. Note that this step is speciic to the installation.
Creating flowsheet
The process low diagram, shown in Figure 5.5, includes a reactor, namely RCSTR,
with an incoming FEED stream and an outgoing PRODUCT stream.
Copyrlghiod material
Nil Zl , _
iJ_l J J
I I 1 1
I Rk Separato'-r wth Engi<h Uhb

I Air 5«paraK> ntfi Meirc 'Jnti .
PelroleuT v-rth r-lefr
.
3*3pe IPE S!fe»T Property kit Fhafnieceul cals hI Caenerai SmJalion vt
r h
rfBark Smutatcn L Fhamaceuticala Mettle iJnts
C ba'>gyhr a
H Polymefs Mh Engis t noMr,
2Chemical3w<h English ijnts .
MMKca(/W cum/nr
i3 Chemicals w<h Heine Unrts Polymer wrO". Mibfe
j BMMMM »**> BfSlW> UnJs f. P,TT>fr«*atu / /.-eh Property Method Nooe
i S cl VM **h MeMc Lints £jj P>n)fr«(arur3y /. (h
FtewbwfoTB xi Mole
i jGas Process iMi English UrAa So!'*;-f
r h EngWi I
yScWswlh fAetrcU. Strearr report
,
G*n*rai wth English IJhta La Specia*/ QmiOk ccmpoabon Hole flow
"
£2 Specialty ChemV;a*s
d m alkjgy EntfishUnfts
dumelallurgy Mih Metnc Unfis Run Type
1 2] [Rwsheel 3
111
Fot Help prws Fl
,
Start I r- j j]Ch lei-5-Migiiio(IW | aw 2 - MT

C tcB W . | - Aijob«/taroe
t i Pro(et
t .| Aepoi Pka
FIGURE 5.3
Connect to Engine
Server type: Local PC
User Info
Node name:
User name:
PassiAiord:
Working directory:
n Save as Default Connection
OK Exit Help
FIGURE 5.4
PVNAMICS AND CONTROL OF FLO\V DRl\-EN PROCESSES 233
M rn,-» 1
.
« I I ---
-
- -;
e i i i ysa
'
.*» MB Mtet acsT» ie«o-
-
- i
.
FIGURE 5.5
Hitting Next button, we get Global sheet of the Specifications form under Setup folder
in the let
f pane of the Data Browser window. Enter the Title of the present problem-
Dynamic Simulation of a CSTR'. change the Input mode from 'Steady-State' to "Dynamic"
"
and leave the remaining items at their defaults. The window looks like Figure 5.6.
? ).!
,
81 V
.,
* a
jLr
~
i
3 I 1 !-! -'in: q >!i.
4
-
ia
Km "ttm "CT on
js- b
FIGURE 5.6
In the next window, as shown in Figure 5.7, the Aspen Plus accounting information
required at some installations are provided.
Hi _l 3 J J
_
j r _
I I I [»" -
I M I M
/GbUI] /OWbMoP -/AtcountIngj Di mn'ci |

O r-.i* - - 1. PVil i . tr. I . " .
Accouxlrurbar
© Mm >-
O R»MOttor# PrcrKtraw fr-OUH WISH
i -
lnoMtClf inpi<»
[V Hm>iA(«m j $etur*» j --v . I C(*ftm RMEton | PreiMeChange | Marv ai j Sokb | UwMoiw |
'
STREAMS RSttK nvdd REtwl RGbb. RCSTR RPKi Rewch

For **> cr-u Ft C \ a FoMan'Aoen »us 11 NOM RwpM b ot ntr --
FIGURE 5.7
In the subsequent step (see Figure 5.8), select Stream sheet with opening the Report
Options form under Setup folder and include Mole fraction item.
.
f
te E* V1e» 0*4 '<xk Rn ftM Ufmy WMoh -.
1 hi .JSlal _J
i r-1 i i nr i -m \ |a! «|».|
-
3 »| j ,| H.|
r
P Gtf«<a(e»ii»xlsrJ*Mn-feKit
t m'o br rcUM r lDcmti itpvt
a
iWhua Fi«cMntt*m
P Malt P Mole TIT fGEfTM
0 RVMlOIMm
r Urn* r Mm.
.
_
l -r. - - -.
.
Jj
-
CH
f faM
f f t
t PQbt. RCSTR HPhg f ad.
fti
- s -
FIGURE 5.8
DVN VMICS AND CONTROL OF FLOW-DRIVEN PROCESSES 235
In the Data Browser window, choose Components /Specifications to obtain the component
input form. Filling out the table with the components (acetic acid, ethanol, ethyl acetate and
wateri involved in the present reaction system, the screen looks like Figure 5.9.
MM - . -
E-sC
aun
i 1
I
I*
cmt : ffstnc f
f /wa
8 § O w&mh ai:s Tt
f
O
Re3''>
, ,,.
.
* - -« MUM
FIGURE 5.9

Choosing Properties /Specifications in the column at the left side, one obtains the
property input form. As shown in Figure 5.10, we use the SYSOPO base property method.
i.|jrrxl
'
-
KW -U MSI *) nKI*M-aH 1 3)
9 «-.*«
. 2
HflUwj Wfae
t f
f ft*
I 8 y Ki)
t COM, hc IP
FIGURE 5.10

Use the Data Browser menu tree to navigate to the Streams/FEED I Input I Speciications
sheet. Specifying the FEED stream by its temperature, pressure, flow rate and
composition, we have this window, shown in Figure 5.11.
oj -
u l-w
-
-
3 ****
* 1
-
- 3
3 (.-. j| 3
T 3
( '- * z
f
h-
i= 3 -
.
3
pr (n -%\
I J
I "in
> > Mat l«
FIGURE 5.11

In the list on the left, choose Blocks IRCSTRI Speciications to obtain the block input
form. It is illed with the given data as shown in Figure 5.12.
-
o -
# l-s-g-Q-m-g-
-
. j
'
T*4m ! . » If ..-*-. |.;a .l»-. |<j w> r
FIGURE 5.12

Use the Data Browser menu tree to navigate to the Streams/FEED I Input I Speciications
sheet. Specifying the FEED stream by its temperature, pressure, flow rate and
composition, we have this window, shown in Figure 5.11.
oj -
u l-w
-
-
3 ****
* 1
-
- 3
3 (.-. j| 3
T 3
( '- * z
f
h-
i= 3 -
.
3
pr (n -%\
I J
I "in
> > Mat l«
FIGURE 5.11

In the list on the left, choose Blocks IRCSTRI Speciications to obtain the block input
form. It is illed with the given data as shown in Figure 5.12.
-
o -
# l-s-g-Q-m-g-
-
. j
'
T*4m ! . » If ..-*-. |.;a .l»-. |<j w> r
FIGURE 5.12
DYNAMICS AND CONTROL OF FLOW-DRIVEN PROCESSES 237
In the next step (Figure 5.13), select RCSTR I Dynamic! Vessel sheet under Blocks
folder and enter the reactor geometry data.
LMf ***** -**
JUIBI U _
51 nMi>H<H 3 I H .-J JJ -1 J
i r i i i fv i lei I Pi 3>M
. i
t AMS
STff WSw ffr-ipd Wgu* HGfcbi RCSIfl RPfc i BBwt*
C gUdms iw Pk* 111 MJU %
FIGURE 5.13
The forward reaction as well as the backward reaction is represented with their
f cients and exponents in two sheets shown in Figures 5.14(a) and (b).
stoichiometric coefi ,
J l-i I IT .1 .IBI I IBI .

J
ti »i nl
"
i « !
EAC
_
l ***
gff Vftrtc:
ll
-
CH-
.
1-0 LIZ U
FIGURE 5.14(a)
Mai _
1J Mffli MJ ahlahNN 1 Jl .! I"i _J El M M
i r i i i nr i m I issi
71 f. .1 I 1
. I .<lr:-
-
7i »i nl «i uf\
UMFAC Grows;
Reaction No fyT
Readmit Pto<k«<t
Compgnert EKpononi Cofr wrKf*

'
.
'
v- i- -
.
rv
1 V
-
J 0"
Po
r p Sett
3 -"EEC
j PRODUCT
_
3 Becks
.
J/j 3CSTR
_
j Ow stry
-
Resctcr:
w R-l
J t eti e
ll -
STREAMS flSloe RYidd .

REqul RGbtu FiCSTR March
FIGURE 5.14(b)
The power law data for both the reactions provided in the problem statement are
entered in the two Kinetic sheets shown in Figures 5.15(a) and (b)
, nt Edt '.' en Can Toot Pir. fU Lfeery Wrxto-. He*
ar -i MM <<||AI 3 »l o\s
~
/Sto-Jwnwy *Kinebc| : - |
'
; | He«yG)mt>s
UfUF Grauo*
}l) AA- EAL-) EAC . VATER d
fiwc Ce
t , | . -J
-
J/i Zcrvij&
| PIBpcfN r«*c(actor.)jr/To/'e-(E »'/I'l/ro)

;
"
;
i "
k. 200000000
[ W
.
. . a P«* en i E::
_
l 0** To-
I
(qi«w.
> ) FEED
£ PRODUCT
.
1 SCSTR
y Reacscoi
_
J Ow-wy-
-
nn miiii
SIRtAHS
J- 90
FIGURE 5.15(a)
-.- 1 3
I I
r
.
«
f " If Till I | MME->w. I C3k-s RMcMn | Ck . | I

HD->
st e
-'
py.>- pew «ac cstr
FIGURE 5.15(b)
The status indicator in the above window reveals by the message Required Input
Complete that no more input specifications are required to run the simulation .
Running steady state simulation

As we click on Next button to continue the simulation the Required Input Complete ,
dialog box appears Hitting OK on the message, we are displayed the Control Panel
.
where the simulation messages during the run are recorded (see Figure 5.16).
- ?!
- MM
iT*0»r. Kmm . Pif

i i Q
W ji
D
| -ii?»i u -J- I .ic- .i-a.-i. || .n, am, .. .. -_ |. «ij
FIGURE 5.16
Viewing steady state results

In the next, select Solver Settings, choose Results Summary /Streams in the list on the
left and finally get the steady state results as shown in Figure 5 17. .
.md.m.x. 1 - |Ftei.*« Sumn»r Sreano - DUit Browser)

'
.
f t
Fe &» »ew D*> Todj Run Lbraiy WMow Htjp
Setup
1 I I 1
Omponeras
Streams
3 foumi r
" ~
as Bocks
Displw 3 Stie«mTatile|
Reacts
3fl Ccr.v«gefK«
'
1 Conv Options
41 d1 d
£0 Conv Options Volume Flow cumyhi 24.497 24 01S
O S«up Enthalpy MMkcal/hi 35035
.
35 951
o 0M0 Bsslc
o OMOAdv Mole Flow km*hi
o lSSQP Base M 2ia0CB 87110
0 LSSQP Ad*
EAl 180.000 57110
Tear
EAC 122,890
1 Convei ence
Conv Ortef WATER mooo 132.890
Q| Sequence id* fan
Rowsheetng Ctouons
AA 0 525 0 218
Model Analvsis Too .
EO CcHguration EAL 0 450

.
0 143
.
P«Rit5 Summaiy EAC 0 307

.
Q Run Status WATER 0 025 0 332

Q Streams . .
Convetgence
Jdll
Results Avaisse
Mstets/SpittM! | Seoatatois | Heat Enchangeis \ Cokmra Hoactoti | Pressuie Chatlseis ] Minipulatois ) Sofds | Usei Models |
STREAMS ' RSIok: RYieM

.
1 . S -U-E-U-
REqui RGibbs RCSTR RPlug RBalch i
RofHeb.ptessFl C;\ .gFolde<s\A9penPlu3l1 1 : NUM
| j£]Oaiaer5-McmsollW..| 4]Cha(»er2-Wt!roseilW...|| Aspen flu. - SIimSI.. t lal Pntesai |« iS?t}); 1545

Adohe o
FIGURE 5.17
(b) Exporting dynamic simulation: In the subsequent stage (see Figure 5.18),
we wish to carry out the simulation dynamically. Accordingly, at this moment,
we have to follow the sequential steps noted below:
Click on Export from the pulldown File menu or simply press Ctrl+E on the
keyboard.
f le.
Open the Drive and then Folder where we want to save the work as a i
Type 'ChS S .
RCSTR' in the File name field.
f om the options
Choose 'Flow Driven Dyn Simulation (*.dynf & *dyn.appdf)' r
available in the Save as type box.
Finally, hit Save button.
Also, save the work done as a backup file (e.g., Ch5_5.2_RCSTR.bkp). We may use
the same folder within which the exported dynamic simulation file is saved. Originally
many if les are saved along with the backup or dynamic file. Anyway, we are now ready
to run Aspen Dynamics and we may quit Aspen Plus.
3 ±ljili<JF; »l jlalH
. I I I
.
1 , 1
-
9 Ljii=v.
Tt*-
CJ Omwrngnt **, MW
Can***
I Pc««-««r«; Ctt '-* M

| M«W .V*** Tn»» -
EAL
WATER
SrniatTi r irTi i -o/r «Caned |
Jjj
8 . S -O'll-O-
cvi
| f o...| *]am2-«*n,. \.*]Mll<m,-lic..\\
0>»l»5-rc <»«,PIU.-C , '; teJu tf |'« igsj
FIGURE 5.18
Starting Aspen Dynamics

As we click the Start button
point to Programs, then AspenTech, then Aspen Engineering
,
Suite, then Aspen Dynamics Version and then click on Aspen Dynamics a blank dynamic ,
simulation window appears as shown in Figure 5.19 .
f*e Eat Tood ftowtfiMl Rr. VMoh Hcb
D H SQ W |Sl»dySl.lc j-J
3
r «-Jt c ioos j a, k it
It*- Lfcr- f,:*.»
Jaw
.
FIGURE 5.19
Opening existing simulation

To open the low-driven dynamic file, select Open from the File dropdown menu or
press Ctrl+O on the keyboard. In the Open dialog box, locate the drive, then folder and
finally the file 'Ch5 _
52 .
_
RCSTR' (see Figure 5.20).
ij is H *»Q IS
UIMl
r »-
-
SSmJatn
> Ft OinMITKt
l-llf
f . |.|9. HT» H
.
Chi 5i
_ _
CSTR !; Ch5 EJ BCSTB
i _ ,
£l Hi
5 *«» ICM U f
. .
. ITS | CWn |
Opin
B i -r
FIGURE 5.20
As we press Open button, the process flowsheet consisting of the automatically

inserted level (LCI) and temperature (TC2) controllers appears (see Figure 5.21).
fe
t &* Un
r Twh HswhMt «jn Wr4» rtft
-
Li
Tt MM [MM :"
u
'
i
ft - - - - .
-Ill
. .
. ..
..
Li I
m
lad *>.
in
FIGURE 5.21
DYNAMICS AND CONTROL OF FLOW DRIven PROCESSES
-
243
Details of the two control loops, to be used finally, are given below .
Loop 1
Controller: LCI
Type of controller: proportional (P) only
Controlled variable: reactor liquid level
Manipulated variable: product flow rate
Controller action: direct
Loop 2
Controller: TC2
Type of Controller: proportional integral (PI)
Controlled variable: reactor temperature
Manipulated variable: heat duty (cooling operation)
Controller action: reverse
Note that the direct acting control system increases the output signal as the input
signal to the controller increases. On the other hand, as the input signal to the control
structure increases, the output signal from the controller must decrease for the case of
reverse acting control strategy. The direct acting control law has negative gain and
increase/increase (or decrease/decrease) term is commonly used to represent it For the .
reverse action, increase/decrease (or decrease/increase) term is used and controller gain
has positive sign.
The reactor flowsheet includes two (LCI and TC2) single-input/single-output (SISO)
control loops. Therefore we can say that this is a multi-input/multi-output (MIMO) or
,
simply a multivariable closed-loop system .
In Aspen terminology the process variable or controlled variable is denoted by PV,

,
the set point is represented by SP and the controller output or control variable or
manipulated variable is abbreviated by OP .
For the example CSTR system level and temperature controllers are automatically
,
implemented when the Aspen Dynamics simulation is created The default values for
.
SP , PV and OP are computed from the steady state simulation. To achieve better closed-
loop process response the Aspen-generated control structures can be modified or even
,
replaced by the suitable control schemes available in the control library of Aspen
software .
In addition, the default values for controller tuning parameters, such as gain,
integral time derivative time and so on, can also be changed.
,
,
Most of the control strategies are easily tuned by simply using heuristics. As
suggested by Luyben (2004) all liquid levels should use P-only controllers with a gain
,
of 2. All flow controllers should use a gain of 0.5 and an integral time of 0.3 minute
'
also enable filtering with a filter time of 0.1 minute). The author also mentioned that
the default values in Aspen Dynamics for most pressure controllers seem to work
reasonably well But temperature controllers often need some adjustments.
.
Viewing default values of variables

In Aspen Dynamics, the steady state values of process variable and controller output
ar displayed in a table At this stage the set point value, displayed in table, shown in
.
,
Figure 5.22, is same with the value of process variable. To show the results table of
loop I, highlight the controller block LCI, press the ight mouse button, go to Forms
and then select Results.
'
-
i .mi m i -- w*
fes
El &
m £
- (M M Has M ! ! i lull aw M-M
11 ..1 in
FIGURE 5.22
.
We can have the same information in a faceplate, shown in Figure 5.23, simply by
double-clicking on the block LCI. But as a diference, the units are not mentioned here
with the values of SP. PV and OP.
r
.
. ;i J
-
W ,1V- 3
>
--
IP
mar
un
FIGURE 5.23
Gopyngt-
DYNAMICS AND CONTROL OF FLOW DRIVEN PROCESSES -
245
Similarly, we have the results table, shown in Figure 5 24 for the temperature loop 2. .
,
E3B i«ra
-
r g <: |.v» J Ji i K >ft l|
-
frol-
r-O-
HS
SiBulaticn resd? tor soJuiion

8 equadons were not elininated because they had i
*
"
(jtal ol 109 equations (29 5'/,) verc sUaiMted
ilation has 36J variablea 2(,0 equations and 91
FIGURE 5.24
Modifying controller tuning properties

First we need to open the sheet that contains the controller tuning information. To do
so for the level controller, highlight the controller block LCI, press the right mouse
button, point to Forms and then select Configure (see Figure 5.25).
|iirjf;j>,l'l. fi S I PPQ UCI l-Q
r,.-:n .
rwutlolis'm* bo .tiHinatad be aus* they had residuals over J»-00?

'
oi IH equ»ii2rii (5 J weie elmir.sted

'
.
LMien has HI *ui»tUi ito equiitjdni ar.d 'ifie
O j ct
-
Ij JOgggj j j Jctf Voty P-Vet || l Aspen gh f* J - * ,stM
FIGURE 5.25
246 PROCESS SIMULATION AND CONTROL USING ASPEN"1
Alternatively, to obtain the Configure dialog box, i

f rst double-click on the controller
block LCI and then click on Configure symbol (yellow colour) in the faceplate as shown
in Figure 5.26.
ll(i*H«a IS {Dyn.mlc 3 mvo t: tin a 13
r tt .t ghF* J «i a 'a i' 3
C SsD-
U 1
.
3
«liBtn»ted becAutA t . hsd residuals ouer le-OUS
Istion has J63 vortabies HO equations and 969 non-zeros
Ml
FIGURE 5.26
By the similar way, we obtain the tuning data sheet, shown in Figure 5.27, for the
temperature controller TC2.
Bf H » Q <& If {Dynamic 3 »»« «« CB'JetiHDaia
o i
u
a» F f.A
(MMM |a FT-3
£3
r Dmo>
d5.
FIGURE 5.27
Note that the default Operator set point value is the steady state value of the process
variable (PV). The reactor liquid level is the PV for loop 1 and reactor temperature for
loop 2. Bias signal is the output from the controller when the error (= SP-PV) is zero.
From the results tables shown earlier, it is obvious that the error is zero for both loops.
Therefore, Aspen Dynamics has set the value of OP as the bias value.
The proportional integral (PI) control methodology is automatically installed with
default values for the controller gain (= 10 %/%), integral time (= 60000 minutes) and
derivative time (= 0 minute) to monitor the reactor level. However, as mentioned
previously, the proportional-only controller with a gain of 2 is sufi
f cient to effectively
control the liquid level. Remember that to make the integral action inactive, we can
use a very large value, for example 105 minutes (even the default value of 6 x 104
minutes may also be accepted), for the integral term. For loop 1, the controller action
should be Direct' as set by default (see Figure 5.28).
'
Baa
Ffc MM Took Af) Wltttm H*
|DynBfnic ]
"
U 7f 3 ii t
f i*
BLOCKSfTCn Co mv
Op**o» ie* pat

r . jO 314029 K
-
r : i
Bw |21083 6171
Gat
jiooooo d
L
m m ConOofc* «aon
-
-
-
-
-
ft cf j
Integrt
f ting tro. 62 43 to 62 44
Integrating tr » 62 44 to 6? 45
Mograt ing fro* 62 45 to 62 46
Step 3074 Tiw 6 2504«+001 step size- 5 OOOOe-002 step facto 1 5000e+000 accepted
j
wm -.
1* Wggg [ ' Adoot c Vroe

t P.o<mc
FIGURE 5.28
In loop 2 , we prefer to employ the proportional integral controller to monitoriven.

the
reactor temperature. In data sheet, shown in Figure 5.29, the default values are g
The TC2 is truly a reverse acting controller. However, we may adjust the values of
controller tuning parameters (gain and integral time) during the closed-loop study if
the control performance is not satisfactory.
Modifying ranges for process variables and controller outputs
-
In the Configure dialog box, hit the Ranges tab and get Figure 5.30 for level control loop.
248 PROCESS SIMULATION AND CONTROL USING ASPENIM
iDynamlc ii m * 93 O fc i rj a
r ft -jt G,.t| 3 iL Si i
f 'i
5
luwng 1 R«v" 1 FHwng | 0H>« LCI
Ope>«ioi ;a>pan p 1
Mi
G«n h
tmegral dm --
w-lPRoSucrt-H .
.
['' . v- tme I
C.>**i Chwi
r Died
Revwte
IfWiataeVabei | Htto
0|>e"i Lbra So ve*

OpBoni
m
alftulation ready for solution 3
equations were not eliMinated because they had residuals ever le-OOS
k total ol 109 equations (29 S'-i) were eliminated
Simulation has 363 variables 260 equations and 968 non-zeros
Rea*- Rea V a Iocs

Oiaplm UChajtef S -MoMsl
f W j Mobe Pootm Prf
r rnJ [ .
-
lAjpenOrn-c.
FIGURE 5.29
ftfts -n Dyn-wwca Ch5_5 2_HCSlH.dyf

r
Be Wew Tao* Run Wndow Help
D B # Gi ©i ? jDynamic I) M «
Q SniMoh
a Bi.ocKsnrncof
r Ki
Piocott voiabie
"
Ranjsmawwm (l 8280M (m
o
TC3
Rang* m»«num |l2167 2343 |

P Cfetorang«
Ct>0>n btT»y
.us S- Ktr
Ooo
t re
Simulation ready lor xoluiion 3

equations were not eliminated because the? had residuals o*t
i total of 109 equations (29 S'O were elminated
"
mulaiion has 36} rarimbles 260 equations and 989 nae~:ero«
M ty«m>ce«a
I UCh e'
FIGURE 5.30
249
As shown in Figure 5.30, the default ranges for both the process and output variables
are too large (± 100% of the steady state values) It may be practical to consider the .
following constraints.
Process variable
Range minimum: 0.6855 m (25% subtracted from steady state value of PV)
Range maximum: 1.1425 m (25% added with steady state value of PV)
Output
Range minimum: 15812.7 kg/hr (25% subtracted from steady state value of OP)
Range maximum: 26354.5 kg/hr (25% added with steady state value of OP)
Entering these upper and lower bounds, we have the window, shown in Figure 5.31,
for the level controller.
Ul«l
ftv Ut» Wnd?* He«
di*h - a <e [d s 3 » .i h « oaga feslaiimm :
t iloos J ,w ii 5V s-: ;
r tt 7t e
[M
h
jl M253G h PBODUCT)-C|>
Oulf/
S firty. BUMMM
|1SBI27
91
l-wtions <"-ie nol elikinst«d Ivrrsuse they had residuals over le-OOS
h total ol 109 equations '29 S;| vete .Uaiaat«d
T lation has H'i v«ri*&lM 260 aqtrnttoM end 989 iior-:eros
StO
Vital iV«nw:*00(
FIGURE 5.31
Again the typical ranges for the temperature control loop are noted here.
Process variable
Range minimum: 52 50C (25% subtracted)
.
Range maximum: 87 50C (25% added).
Output
Range minimum: 1 1447 MMkcal/hr (25% subtracted)

.
Range maximum: 0 6868 MMkcal/hr (25% added)

-
The corresponding Aspen Dynamics window is shown in Figure 5 32. It is worthy to .
mention that the negative value of heat duty reveals the cooling operation (heat removal).
o *y .a m w |n,..mic
, .
,r ..- j 1 1«t5) |MMlS3R
'
9
Editing Siaulacion
Validation coBplete
urrent snapihois havo been saved to 11 le (r-pAflOOO anp

i- I
i
FIGURE 5.32
Both the control algorithms are completely specified above. In the next, the controller
performance will be examined in terms of set point tracking (servo) and disturbance
rejection (regulatory).
(c) Starting the Run: Before running the program, we must be accustomed with
some frequently used items of the toolbar as described in Figure 5.33.
Step Re-start Simulation
*c 601 lacJt R» Wnto*
. IMJSI
Run Pause Rewind to a saved Snapshot
FIGURE 5.33
251
We wish to carry out the simulation for a certain time, say 5 hours To i
f x up this .
time period, select Pause At from the Run pulldown menu or simply press Ctrl+F5 on
f eld or whatever we want and
the keyboard. Then select Pause at time, type 5 in the i
click on OK (see Figure 5.34).
yrr&ntmsmfmsssi : .
,,. 1.1
a uai
,
, s MA
-
c; |W)-
1 « 1 : O -
jj j ' (fnci cil C-

,
f C5tR
t
S i 1
.
i ;;;.-,;"',:::/;;:,:'m;.;:'::;f iv,i:
,
J
FIGURE 5.34
Viewing servo performance of LC1

As we double-click on LCI block in the flowsheet, first the faceplate appears. In the
next, press on Configure and Plot symbols in the faceplate. Alternatively, to open the
faceplate Configure dialog box and ResultsPlot dialog box, first select LCI block, then
.
choose Forms and subsequently press one-by-one on faceplate Configure and ResultsPlot, ,
respectively Judiciously arrange all three items within the Aspen

.
Dynamics window
(see Figure 5 35) so that we can properly observe them together.
.
Eiaagi ' 'i Baaaa wpw-

!
.
k* h s a © w [n n 3 B9t> esaspa
r nit a«(o» 1] i * "t
< {MB
n mm MUUI
ma : .
ja_!J
-
nMm I fmg, | <

! r.j J
-
> .,,
pi KJS» ,
|r~ 1"
l
~
1
-
,
1 «, 1
I t gji I fat.
o
FIGURE 5.35
252 4- PROCESS SIMULATION AND CONTROL USING ASPEN
First make sure that all the items in the Configure dialog box and faceplate are
correct. In order to execute the dynamic closed-loop simulation click on Run button in ,
the toolbar. During the simulation run, give a step change in the set point value of
reactor liquid level from 0.914029 to 1.1 metre at time = 1 5 hours. Typing the new set .
point value in the faceplate, press Enter button on the keyboard so that the Operator
set point value in the Configure dialog box also changes automatically to 1 1 . meter
Note that the new set point must be within the specified ranges of PV In Figure 5 36 ,
the servo performance of the level controller is depicted for 5 hours as selected earlier
Obviously, the plot also includes the manipulated input profile .
EC
DlSySa IE -V | Dynamic 3
ifl)_l
*
T tt Tl' ©id 10 05 it
! Rowsheet
Coopoient Lots
*
} Dagncsl'cs SS
OPgHi 1210356171 "
t'POC I
IT
to JDJ*]
Tuning ] flanges | Ftong | Olhw
Owralw set pewit p 1

t er,
Twmg paramf
|21083.61 RCSIR
1 C; Plot 8LOCKSCLCl-l Reia»«Plol
: lrJe.;tdlme: limtjo | m
I" l d
-
De<iv alive time: "»

E
If5 11
'
Cpndolei adkm
: Direct
-
( Reveise
||
:o» 4 97
-
obi 4
0 0.5 1 15 2 25 3 35 4 45 5 1 5000e*ODO. MDCepted

Run coaplete Time Hours
Paused
FIGURE 5.36
Figure 5.36 represents an excellent set point tracking performance of the level
controller (P-only). Obviously, the LCI provides process responses with almost no
deviation from the desired set point value and with very fast approach to reach the
target liquid level.
Notice that the above plot can be edited by right clicking on that plot and selecting
Properties option or by clicking on that plot and pressing Alt+Enter on the keyboard.
In the properties window, user can modify the title, axis scale, font and colour of the
plot. Alternatively, double-click on the different elements of the plot and modify them
as we like to improve the clarity and overall presentation.
Now, we will discuss the interaction of two control loops. When we introduce a set
point step change in the reactor liquid level, the LCI scheme attempts to compensatell
for the changes through the manipulation of the elf uent lf ow rate. This, in turn, wi t
disturb the reactor temperature and loop 2 will compensate by manipulating the hea
DYNAMICS AND CONTROL OF FLOW DRIVEN PROCESSES-
253
removal of the CSTR appropriately. Thus we can say that loop 1 affects loop 2. In Figure 5.37,
Aspen Dynamics window demonstrates the loop interaction under the same set point
step change (0.914029 to 1.1 metre at time = 1.5 hours) as considered previously .
PS
~
rKjTj F= E],. ;- %
c;
.
o
BEDS
1- 3
J _JSS_J
FIGURE 5.37
Viewing servo performance of TC2

As described in Figure 5.38, open the faceplate along with Coni
f gure dialog box and a
blank plot sheet. Before starting the simulation run, carefully check all entries in the
faceplate as well as Configure dialog box. In the next, choose Initialization run mode in
the toolbar and then run the program once. After completion, go back to Dynamic
mode from Initialization mode (see Figure 5.38).
'
ehj
FIGURE 5.38
Now we wish to conduct the servo performance study for the TC2 controller with two
consecutive set point step (pulse input) changes in reactor temperature (70 -) 750C at
time = 1 2 hours and then 75 -> 70oC at time = 3 hours).
.
254 PROCESS SIMULATION AND CONTROL USING AS PEN
Clearly, the proportional integral controller with default tuning parameters values
shows a high-quality temperature tracking performance. As stated if the performance ,
of any controller is not satisfactory, we have the option to tune the parameters simply
by trial-and-error method.
If we introduce a set point change in the reactor temperature the TC2 controller ,
takes necessary action with adjusting the heat duty to compensate for the changes .
But interestingly, the liquid level remains undisturbed. Figure 5.38 confirms this fact .
At this point we can conclude that loop 1 affects loop 2, but loop 2 does not affect loop 1 .
Actually here the interaction is in a single direction.

(d) Viewing regulatory performance of LCI and TC2: To perform the
regulatory study, we need to introduce at least a single change in the input
disturbance. However, here we consider two subsequent step changes in the
feed temperature. Initially, the feed temperature changes from 75 to 80oC at
time = 2 hours and then the temperature (80oC) returns to 750C after 1.2 hours .
To change the feed temperature twice as prescribed above, first we need to open
the feed data sheet by double-clicking on the FEED block in the process flowsheet
(see Figure 5.39).
-
Ch55.2 _
BC5rRd»rf
Bt TooB Rui Van** Hefc
*? iDyn.mk 3 > « Hi « «»© 3 [3 H
Alllms
jDynamcs o -
; SyiieriLbrjry
,
Q Table STHEAMSfFEED") Re«*« KH

Description Value r *
lint
F Tolnl noSe ItoW

fm T JalfTiaaa Bow 210836
T 75 0 .
P Press U'e bai

vf Milar *api>f tricion oo
n Mrls! >(ihftlp> - 87 5«7I
Rho 16 3267
MM Mohii msight 52708
mn
uebnictan 0t25
ZrfEAC t rrocton
Uce
Lkie Iradton
Solver Componert
f XlOTrl
t LMs
OUgnogucs GMmIc
ntegrating fra» 4 96 to 4 97 1
Integrating fro« 4 97 to 4 98
Integrating fro« 4 99 to 4 99
Integrating fro* 4 99 to S
Step 361 Time- 5 0422e+0O0. step size- S 0000e-002. step tactor* 1 S000»*000 accepted
Run complete at 16 45 29
il I
| Jaae S Xerox* Wort || 'U Met* K bm PxAatr j
FIGURE 5.39
In the subsequent step, run the program with Initialization run mode. As it is
finished, go back to Dynamic mode. Then, open the plot sheets for both the controllers.
The regulatory behaviour is illustrated in Figure 5.40 giving changes in feed temperature
are not
in the feed data sheet. For brevity, the faceplate and configure dialog box
included in the Aspen Dynamics window, shown in Figure 5.40.
2 a ts 7 I Dynamic
3
-
r u loo? s
scripts ] VUue | Unrrt

r RM -WOO - Mf
-
Ot* :iC£3=
-
-
trx*'*-** C fi
U
| _
p Pre»vc j111*58 t*r

j nr.urT
-
Ml
in
'1 r fidcn 0 *2f ijnctVnc-l

Mofen-tdian |0.B imMV-nc*
a
53 a
T mpeiatuie loop
-
i
; So
1
3
0 05 1 1= 2 25 3 35 4 45 5
Time Hems 000e+000. accepted
FIGURE 5.40
It is obvious that the reactor liquid level remains unchanged with a change in feed
temperature since there is no interaction involved On the other hand, the reactor .
temperature is disturbed However the TC2 controller provides satisfactory disturbance

.
,
rejection performance under this situation.

So far we have studied mainly the closed-loop behaviour of a reactor system coupled
with Aspen-generated control schemes. We did not include any additional controller with
the CSTR model In Section 5.3 we consider a distillation example to elaborate this point.
.
5 3 DYNAMICS AND CONTROL OF A BINARY DISTILLATION COLUMN

Problem statement
A partially vaporized binary mixture of benzene and toluene enters a RadFrac
distillation model as displayed in Figure 5 41. .
he column has total 25 theoretical stages (including condenser and reboiler) and
operates at a pressure in the reflux drum of 18 psia and reboiler of 21 psia. The
ow rate is 285 Ibmol/hr and reflux ratio is 2 2 (mole basis) .
.
Feed Specifications
Flow rate = 600 Ibmol/hr TOP o

Temperature = 225° F
Pressure = 21 psia FEED
Component Mole %
BOTTOM
benzene 45
toluene 55
FIGURE 5.41 A flowsheet of a distillation column .
In Table 5.1, the reflux drum and the base of the column (the 'sump' in Aspen
terminology) are specii
f ed. It is fair to use an aspect ratio (length to diameter ratio) of
2 (Luyben, 2004).
TABLE 5.1
Item Vessel type Head type Height / Length (ft) Diameter (ft)
Reflux drum horizontal elliptical 5 25.
Sump -
elliptical 5 25.
The column diameter is 5 ft. Use default values for other tray hydraulic parameters
(e.g., tray spacing, weir height and weir length to column diameter ratio). Consider log-
mean temperature difference (LMTD) assumptions for the total condenser. Actually the ,
LMTD is calculated using the temperatures of process l

f uid and coolant In the simulation. .
assume constant reboiler heat duty and apply the UNIFAC base property method.
(a) Simulate the column model to obtain the products mole fractions.
(b) Keeping the default level and pressure control algorithms unaltered, inspect
the servo as well as regulatory performance of a proportional integral (PI1
controller that is required to insert to control the benzene composition in the
distillate by manipulating the reflux l
f ow rate.
(0 Devising an another PI control scheme to maintain the benzene composition in
the bottom product with the adjustment of heat input to the reboiler, observe
the interaction effect between the top and bottom composition loops.
Simulation approach
(a) Select Aspen Plus User Interface and when the Aspen Plus window pops up.
choose Template and press OK. In the subsequent step, select General with
English Units and hit OK button. To open the process lowsheet window, click
OK when the Aspen Plus engine window appears.
Creating flowsheet
From the Model Library toolbar, select the Columns tab. Place the RadFrac model on
the flowsheet window and add the feed as well as two product streams. Renaming all
the streams along with distillation block, we have Figure 5.42.
DYNAMICH AND rnNTKOI, OP KI-OW DIUVKN I'lfOCKHHKH 257
imaimAJmm lAdftiauugj*) ji.ojjiIzJII

.
o: 6 -i
'
twin TmT
FIGURE 5,42
Ah we hit Nt'xf followed by OK button, the ROtUp input Corni appcarH (h«m* Kif
t un! .43).
The diHtillation problem Is tilled oh: 'Cl0S6d-l00p Performanct; of a DihI illation ('olumn'
Iniportuntly, une tin- 'Dynanne' input noxle
mltiMI
lit I:: | n
NiMH
I
(
(
FIGURE 6 43
258 PROCESS SIMULATION AND CONTKOI, IISINC ASPEN
Figure 5.44 includes the Aspen I'lus (iccon/ilin infornuition We can fill up the
.
Accounting sheet with any name, number and ID.
'
-
i '1
t t
f vW o**
mm jj ai LiinsMibd ad j ..ijj-j -j ai i i
jJgjJT; j Mil illR"ZI uL..]

.
O Ma
o - J-.
f> 1 " .
!(. [Ilflll,
I - MCM
fToirTiTTT
I
_
J M.>i*t 4» M 1><»
1 DSTWU DHH nwJFp £.ii*;i MJ/tac SCr-oc

-
Pei(iJ t»c P*iefi« BvcWi*
fa -1* prt-M 11 C - 0 :s*Kt5-/Jeei". (Vfl !1 I HUM (leoulcillnM

Uvain . I -l|a. n/ ' Hi'W.O | ' } rhjiHg fi tVio«imVcrt [[ Aapcn fits »?t>8 111'
FIGURE 5.44
We like to see the composition of all incoming and outgoing streams in mole fraction
basis in the final results table. Accordingly, we use Stream sheet under the Report
Options of Setup folder (see Figure 5.45).
rif F* Mix Ofa fir F*<3 l±rtv Wtwjo- Hrfc
i MHl iJM«l _
BMSLSfcalgl "'I "'I I I "I "I ~l g
""
JJ I I I FV . _
LLM_Lia|
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FlipdtOpla
t 351
bnnil | rbwihWI | BM ./SIiiimi| Piorniy [ ADA |
0 S*-*. ",
'
, w. .
«..
Itw* lo N> rrlaM »i i>tMn> ixoa)
O -
I! . P W .Hum.
. J 1
FIGURE 5.45
DYNAMICS \NI) CONTUOI, OK I'l.OW DRIVKN ('UOCICSSKS 259
'
From (In- Data Brow.scr, hoIoc! ( oniponcnta/Speeipcctions to open the componont input
'
lorm In ill'' lahlc. shown in l- i mc S 1 (> Ihc Ivvo species are dclincd .
UM M» fVA I** Unfti
h d .Igil I lal -iW

0 H""
Qp
him nl
ni.urm rrniioii mo
Ia
t rimi Ophor*
I Ml/ tC Qrm)«
ml
Mi
Wiwii d b rit»i».; li. i Muifi« ..ti feMtoi 0«oN>i«>
FIGURE 5.46

,, >(. li'i on Hm- Nil
choose Properties/Specifications and gel the property Inpul form.
.
in Aspen simulation a property method originall} Includes several models for calculating
,
the physical properties For the distillation example, set the UNIPAC base method b>
scrolling down (see Figure 5.47).
Specifying stream Information
,"
next, (.pen Streama IFEED IInput ISpecifications sheel Entering the given
Values lor all State variables and teed eompo ion Ihe slream mpnl lorm looks like
.
Figure 6 'IH

,"
lefl pane ol the Data Browser window select Blocks IRADFRACI Setup to open ,
Configuration sheet and then insorl the required datn (see Figure 5.49)
260 . PROCESS SIMULATION AND CONTROL USING ASPEN
> He E* Wew Oati Tooli ft FW Ut*»ry Window H*>
JjiJ J J
_
LJ~- I I I Jje
HU I J±hJill -ZliiJuLJgij
Relerenced |
0 r am Oae*
Sle Piowxtyrwthocbt moded
B | S<i)*ww
PtocMt IVP*
Picwtymethod juNiFftr Tj
Q Cutlom OMi B«e meitwd jufJIFAC r Modlv P<ope<iy rmdett
O Repwt Opicna Heniy corrvcuwitt [
'
f loHston option*
PelTOteum cl 3
~
Fiw-watm method 3
~
b t-end Pfop«i«i W«le< »otut*y 3

~
P»e<rfoc«npOfi«rt9
3
t cddyte c ciisbon option:
Ee
; O MrCorpi Chamtiiy ID r
17 . : .
_
Potjma
B f Property Method!
l
.
_
j EHi Un
t cd» Slftjcti«
9 CD Woe
a
LJNIFAC wlh AedKrh-Kwof.g elation d tlate and Henty't law
Qt | Par p-S«ts
£ r j Adveoced
hpot Complete
[it* r |
MbMi/Splilleri j Sepstfon | HhI Exchangees Cohaint { Readou | Piettue Changeft | Manptiatori | Sokh | UteiModt
STREAMS DSTVAJ Di'.H FladFiac E act Mijfrac SCf<ac FelioFisc fWeFrac BaichFrac
C \ d Fitfcn'Asien dd IM HUM
| .'- JOMptef -Mgoicft W j 0 «S-Hcto W j ) tjMftJ Twig-Mcn:«< |j tmpmn Pka
FIGURE 5.47
-
fi- ?d( [Ula T04I1 Run not tibrary Wride)v< HH'
d|b;|h| l l Nel ¥?! akiahl-gl i n.|

la]
3 J*J <<J( i 3 >>J Q|aJ n J
"
O Repot Ot*or< 3 ClI.C FlsshOplioBt I I EOOpiw: I

-
ConpaTerts
Speofcebont Siij!li«mf»m» )yMIXED
Asw'Bend
"
r Owaclefuabon
$ 'JJ Peio
Lghl-End Prcpofto
3 |M*f 3
Pteudocorvowta I 225 d CotrpGrem f je
Voc
SEN2ENE 015
HonyCcrrps d TOLUENE 055
UNIFAC Gtohm
I p.. d
) Comp-Groupi
> Compel
d
_
B _
) Potywi lanlltow [Mote
-
.J/) Prtceft ee |600 d

*
r pety M«hod9
Po
Cj E«mal»3n 1 J
.
_
j Wcc iaf Sbucture
W p»wwet«
'
,
i Data
_
J MM*
-
Ji Pr -Sett
$ MvarvceC
.
_
| BOTTOM !oUI F
-
Jl) FEED
o
EOVMMu
STREAMS 1 DSTVA)
FoH* PMF1
Book
FIGURE 5.48
DYNAMICS AND CONTROL OK KLOW-DKiVEN PROCESSES 261
cz:
'-
a
Mr
a
3
9
-
ap>
1->- d J
inc«a Si-vi M «. tan <Mf<B Klw Infv

' i iH* 11 6.H i iinl i ill
FIGURE 5.49
In the subsequent step (see Figure 5.50), fill up Streams sheet with informing t\
location 113th tray (above stage)!.
; M Mm Cm la* K» i»w> VM- M
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FIGURE 5.50
DYNAMICS AND CONTROL OK KLOW-DKiVEN PROCESSES 261
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FIGURE 5.49
In the subsequent step (see Figure 5.50), fill up Streams sheet with informing t\
location 113th tray (above stage)!.
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FIGURE 5.50
262 PROCESS SIMULATION AND CONTROL USINKi ASPEN
In Figure 5.51, the column pressure profile is defined.

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FIGURE 5.51
Entering heat transfer data for condenser and reboiler

Next select Dynamic under RADFRAC of Blocks folder. There are three heat transfer
options: constant duty, constant medium temperature and LMTD. As mentioned in the
problem statement, the condenser heat duty depends on the log-mean temperature
differential between the process fluid and the coolant. The coolant inlet temperature is
set constant. Here the temperature approach represents the dif f erence between the
process temperature and the coolant outlet temperature at the initial steady state
Note that among the heat transfer specifications the coolant inlet temperature and ,
temperature approach may vary during a dynamic simulation whereas the specii f c ,
heat capacity of the coolant is fixed during a dynamic run (see Figure 5.52).
For the reboiler , it is fair to use constant heat duty computed in the Aspen Plus
simulation. However , the reboiler duty may be changed at dynamic state either by
manually or automatically with employing a controller (see Figure 5.53).
Entering geometry data for reflux drum and sump
The reflux drum and sump are specified in Figures 5.54(a) and (b) with their given
geometry data. The information on vessel orientation, head type, length (or height)
and diameter are used to compute the vessel holdup .
DYNAMICS AND CONTROL OF FLOW DmVKN PROCKSSP S -
263
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FIGURE 5.53
264 4- PROCESS SIMULATION AND CONTROL USING ASPEN
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FIGURE 5.54(b)
Entering tray geometry

The example column has total 25 stages-Stage 1 being the condenser and Stage 25
the reboiler. We already have inserted the necessary information for stages 1 and
25. Now, we need to inform the simulator the tray geometry specifications for stages
2 through 24. Note that the tray holdups are computed using these geometry data
(see Figure 5.55).
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FIGURE 5.55
Running steady state simulation and viewing results

Hit Afecf button and press OK to run the steady state simulation. Finally, the result."
table , shown in Figure 5 56, is obtained. At this time, we should save the work.
.
(b) Exporting dynamic simulation: For process dynamics study, we wish to

export the steady state Aspen Plus simulation into flow-driven Aspen Dynamics
f le name of'Ch5
simulation giving a i _
53
.
_
RadFrac'. Then close the Aspen Plus
window .
E* Vte*v Data To* R« Ubr*v Window Help
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Q LSSQP idv Volume Flow ctitAm 607353 14147.249 446 618
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.
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FIGURE 5.56
Starting Aspen Dynamics

Open a blank dynamic simulation window for the example column, following a similar
procedure as previously shown for the CSTR problem. In the next, simply open the
flow-driven dynamic file 'Ch5 5 3 RadFrac.dynf. As a result, the Aspen Dynamics _
.
_
window appears (see Figure 5.57) accompanying with the closed-loop process flow
diagram. The flowsheet actually includes the three default control schemes LCI, PC2
and LC3 to monitor the reflux drum liquid level, top stage pressure and column base
liquid level, respectively.
In the present discussion, we do not want to change anything of the three
automatically inserted control strategies. All data, including timing parameters, ranges,
bias values and controller actions, remain untouched. A little detail of these control
structures is given below.
Loop 1
Controller: LCI
Type of controUer: P-only (since integral time is very large (60000 minutes))
Controlled variable: liquid level in the reflux drum
Manipulated variable: distillate flow rate
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Siaulation ready for solution

7 equations were not eliminated because they had residuals over le -
005
3
A total of S32 equations (38 b/' .) were eiinmated
Sinulation has 1991 variables. 1484 equations and 6219 non-zeros
IBjnsilcal 0.(10
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FIGURE 5.57
Loop 2
Controller: PC2
Type of Controller: PI
Controlled variable: top stage pressure
Manipulated variable: coolant inflow rate
Loop 3{
Controller: LC3
Type of controller: P-only
Controlled variable: liquid level in the column base
Manipulated variable: bottoms flow rate
Adding a new PI controller for top composition loop

Now we wish to include a proportional integral (PI) law to control the benzene
composition in the top distillation product by manipulating the reflux rate. In the top
left of the window the Dynamics library is included within Simulation folder of Ml
Items pane Click on expand (+) button of Dynamics subfolder. Consequently, the expand
,
button changes to collapse (-) button as shown in Figure 5.58.

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FIGURE 5.58
Again hit expand button next to the ControlModels icon Then select PID controller .
drag it to the flow diagram and drop the control block near to the top product stream .
Renaming the top composition controller as CCT we have Figure 5.59. ,
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FIGURE 5.59
Connecting controller with process variable (Controlled variable)

Ixpand Stream Types under Dynamics subfolder and hold down the mouse button ow
-
on
he ControlSignal icon. As we drag it onto the lf owsheet window, many blue an
appear around the process diagram. Interestingly, when we f l I Z S
wiih holding the ControlSignal icon over a port, the name of that P
.
*ame *
on the
Anyway, move the pointer and release the mouse buttonselect 0fe g wo
the dastillate compos.tio
OutputSignal originated r
f om TOP (stream) block. To
CONTROL OF FLOW
DRTV rPPn cc 269
of benzene as controUed variable, choose 'STREAMSCTOP") ZnCBENyFTWv
r
f action' by description in the Select the Control Variable 4 bo Fi 5 6of
.
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FIGURE 5.60
As we press 0/!l button, the cursor becomes a solid black arrow representing the
input signal to the controller. To transmit this signal to the CCT block, connect the
black arrow with a port marked InputSignal. Since this signal conveys the process
variable (PV) information to the CCT controller select 'CCT.PV by name with 'Process ,
variable
'
by description in the Select the Control Variable dialog box (see Figure 5.61).
-
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FIGURE 5.61
Hit OK button and obtain Figure 5.62. Obviously the CCT controller is partially ,
configured. To complete the top composition loop, the controller output should be
connected with the manipulated variable to pass on the signal .
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ing Simulation
ent snapshots have been saved to file snpAOOlO snp

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FIGURE 5.62
Connecting controller with control variable (Manipulated variable)

Again hold the ControlSignal icon, drag it onto the process flowsheet and drop it on
the blue outgoing arrow marked OutputSignal from the CCT block. As Select the
Control Variable dialog box appears (see Figure 5.63), choose 'CCT.OP' by name and
press OK.
Immediately, a solid black arrow representing the controller output signal is
automatically generated. Move the mouse pointer to reflux stream and make a
f ow rate as control variable, select
connection to InputSignal2 port. To use the reflux l
'
BLOCKSC'RADFRAC). Reflux.FmR' in the dialog box and click OK (see Figure 5.64).
Now the binary distillation column is coupled with four control schemes, LCI,
PC2, LC3 and CCT, and the closed-loop process looks like Figure 5.65. The subsequent
discussion includes the modification of different tuning properties of the CCT
controller.
DYNAMICS AND CONTROL OK FLOW DRIVKn PROCESSES -
271
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FIGURE 5.65
Modifying controller tuning properties

First we wish to see the default tuning properties. So double-click on the CCT block and ,
then hit Configure symbol in the faceplate to open the Configure dialog box (see Figure 5.66).
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FIGURE 5.66
Obviously, some of the default values set by Aspen Dynamics are not acceptable.
For example, the operator set point value of process variable (benzene composition in
distillate) should not be greater than L Secondly, the CCT controller action must be
Reverse'. In addition, the value of control variable (rel
'
f ux flow rate) at steady state is
usually used as bias value.
We have two options in our hand to correct the default values. Either manually
we can do it or Aspen Dynamics can automatically initialize the values of set point ,
process variable, control variable, bias and ranges. Note that the controller action is
changed only manually. It is wise to initialize the values by the help of Aspen Dynamics .
For this, press Initialize Values button in the Configure dialog box and use 'Reverse'
controller action. It is obvious in the window, shown in Figure 5.67, that the values of
SP, PV and OP in the faceplate change automatically to their steady state values. If
this approach fails to initialize the simulation of controller model with the steady state
data, check and replace, if necessary, the values of PV and OP with their steady state
values by double clicking on signal transmission lines (input to the controller and output
from the controller).
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FIGURE 5.67
Modifying ranges for process variable and controller output

we hit the Ranges tab, the Configure dialog box (see Figure 5.68) shows the default
ranges imposed on process variable and controller output.
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However, here we use the typical variable ranges, shown in Figure 5.69 .
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FIGURE 5.69
DYNAMICS AND CONTROL OF FLOW DRIVEN PROCESSES
-
275
Process vai
r able
Range minimum: 0.85
Range maximum: 10
Output
Range minimum: 10000 Ib/hr
Range maximum: 120000 Ib/hr
It is important to mention that it is a good idea to carry out Initialization as well
as Dynamic run after each new change in the control scheme so that any error in
controller installation can be detected individually.
We have now completed all required control specifications for the top composition
loop In the ongoing study, we prefer to conduct the simulation expeir ment to observe
the designed controller performance continuously for 5 hours. As done for the previous
CSTR problem, similarly either simply press Ctrl+F5 on the keyboard or select Pause
At rom the Run menu and put 5 hours as Pause at time.
In the next, we will inspect the CCT controller performance first dealing with the
servo problem followed by the regulatory problem.
Viewing servo performance of CCT

As we double-click on the CCT controller block in the l
f owsheet window the faceplate
,
appears. Then open the Configure as well as ResultsPlot dialog box The second one is
.
basically a blank graph sheet that presents the variations of process vai r able set point
,
and controller output with respect to time.

Before running the program make sure that all the items in the Coni
, f gure dialog box
and faceplate are correct. In the next hit Run button to start the dynamic simulation. The
,
plots, shown in Figure 5 70, illustrate the servo behaviour of the PI control algorithm with
a step increase (0 9437 - 0 97 at time = 1.51 hours) followed by a step decrease
.
(0 97 - 0 9
.
at time = 3 hours) in the set point value of the distillate composition of benzene.
To achieve an improved closed-loop performance we have used the values of proportional
,
gain of 10 %/% and integral time of 10 minutes. These values have been chosen based
on a pulse input test in the distillate composition of benzene and using the trial-and-
error approach It should be kept in mind that the objective at this point is not to come
up with the best control structure or the optimum controller tuning. We only need a
control scheme and tunings that provide a reasonably good tracking performance to
drive the simulation to a new steady state.
Remember that to edit the plots, shown in Figure 5 70, double-click on different
elements of the plots and modify them as we like.
Viewing regulatory performance of CCT
In order to investigate the regulatory performance of the CCT controller, we give a step
input change in the feed pressure (21 -» 23 psia) at time = 1.48 hours and that in the feed
temperature (225 -» 230oF) at time = 3 hours. The PI controller tuning set provides good
disturbance rejection performance (see Figure 5.71) although the tuning parameter values
.
gain and integral time) have been chosen based on a pulse set point input change.
276 PROCESS SIMULATION AND CONTROL USfNG AST'EN
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j
FIGURE 5.71
(c) Adding a new PI controller for bottom composition loop: We have to

devise another PI control scheme to monitor the bottoms composition of benzene
by adjusting the heat input to the reboiler. As developed, the CCT controller
for the top loop, similarly we can configure the CCB controller for the bottom
loop as shown in Figure 5.72.
I.:IM
.
:
f
1
s
.
41 . .
! m
.
lm< uuuk.'* w-> Ml X-M i.. I.im mmttfll M*
FIGURE 5.72
We have chosen the following tuning properties (see Figure 5.73):

Gain = 10 %/%
Integral time = 10 minutes
Controller action: Direct
"
dub .a % » |M*«.. r 3 . . nvm awocigi

_
r :: f - >. »- »
1 55 i; 7T i '».»« i
:
'w. .
-
f v ..
c MM
-
.TIM mmm lia»
EkMIMi tl A I.. li.c...

| "1 .MtMlM ltj« WMtlOM m4 M3» mm-two*
FIGURE 5.73
278 . PROCESS SIMULATION AND CONTROL USING ASPEN
In addition, the used constraints are reported below:

Process variable
Range minimum: 0.0

Range maximum: 0.1
Output
Range minimum: 6000000 Btu/hr
Range maximum: 18000000 Btu/hr
Viewing interaction effect between two composition loops

To observe the effect of interaction between two composition loops, the set point value
of bottoms composition of benzene has been changed twice. The simulation result is
depicted in Figure 5.74 for a step increase (0.0033 -> 0.0045 at time = 1.5 hours) followed
by a step decrease (0.0045 -> 0.0025 at time = 3 hours).
EC MS*}
-
He Mew Toots e
f n Window net
| Dynamic h « CBS'S aiaocsH
9 -
=inj l
"
_
r Tt (0 05 3 i£ i « W 1* 3
LCI
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--
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BOTTOM K>
Tunuvj | Ranges | Fe
f nr ] Olha
Opetatot set poi* (0 0025 jbmol/bfrol

Turwtg paameten
S«t. [l1613W7r jBtu/W 63

Gart [To I .
s.
Iniegrafww. flO f i
Owwabvetimei [o
-
11
Cortiolw action -
Drad > £
i
r Reverte S?
1
-
If r
0 0 5 1 1 5 2 2 5 3 3 = 4 45
,
5 i 2 2.5 3 13
Time Hours Time Hours
TEE
e
t ed
FIGURE 5.74
Clearly, the CCB controller shows satisfactory set point tracking performance
against a pulse input change It is observed from Figure 5.74 that owing to strong
.
interaction between the two composition loops of the distillation column the set point ,
changes in bottom loop affect the top product composition Similarly, when any set .
point change is introduced in the top composition loop, the bottom product composition
will also be affected.
DYNAMICS IND CONTROL OF FLOW-DRIN KN I'HOrKSSKS 279

This chapter has investigated the closed-loop process dynamic characteristics using
Aspen Dynamic- package. To observ e the controller performance in terms of set point
tracking and disturbance rejection, a CSTR in addition to a distillation column have
been illustrated The default control strategies have been tested for the reactor example,
whereas the two additional composition control loops have been included along with
the default control laws for the distillation example. Several simulation experiments
have been executed for both the processes under flow-driven dynamic simulation. Note
that Chapter 6 presents the dynamic simulation and control of more rigorous pressure-
driven dynamic process.
PROBLEMS|
5 1 A feed mixture of benzene and toluene is fed to a flash drum (Flash2). The
.
separator operates at 1.2 atm and 100oC For dynamic simulation, required feed
.
specifications are provided in Figure 5.75.
Feed
Temperature = 25°C
Pressure = 3 bar
FLASH
Flow rate = 100 kmol/hr
>o
PI
benzene 06
.
toluene 04
.
FIGURE 5.75 A flowsheet of a flash drum.
'
a) Use the SYSOP0 property method to compute the amounts of liquid and
vapour products and their compositions .
.
b) As shown in Figure 5 75, employ a PI control scheme to monitor the
.
temperature in the flash drum by manipulating the heat duty .
(c) Show the closed-loop servo performance with +10% and then -10% step
changes in the flash temperature .
(d) Report the tuning parameters obtained by trial-and-error method, controller

action and ranges imposed .
5 .
2 A vapour mixture of toluene, methane and hydrogen is heated using a shell and
tube heat exchanger (HeatX) The superheated steam is used as a heating medium.
.
Complete specifications required for closed-loop dynamic simulation are shown in

Figure 5 76.
.
280 PROCRSS SIMULATION AND CONTROL USING ASPEN
Hot Stream Out

Pressure = 14 psia
Cold Stream In
Temperature = 2780F I
HOT-OUT
Pressure = 500 psia
Cold Stream Out
Component Flow rate
(kmol/hr) ICOLD-INf j cold-out hoi Temperature = HOOT
Pressure = 498 psia
toluene 200
Dead time pi
methane 2300
HOT-INK >AT
hydrogen 1000 >o
ii
Hot Stream In
Temperature = 1160oF
Pressure = 14.7 psia
FIGURE 5.76 A flowsheet of a heat exchanger.
(a) Simulate the heat exchanger model using the shortcut method, counter-
current flow direction and NRTL-RK property method.
(b) Include a PI control structure to observe the set point (cold stream outlet
temperature) tracking performance and the manipulated input (steam inflow
rate) profile. In the closed-loop simulation experiment, assume that the
temperature sensor takes 1 minute time (dead time) to measure the controlled
variable. Report the used tuning properties.
(c) Examine the regulatory performance by introducing + 10% and subsequently
-
10% step changes in the inlet temperature of the cold stream.

5 3 Device a cascade control scheme for the above heat exchanger and investigate
.
the controller performance.

5 4 A liquid mixer model with a typical ratio controller (Seborg et al. 2003) is shown
.
in Figure 5.77. The flow rates for both the disturbance or wild stream (Fw) and
the manipulated stream (FE) are measured, and the measured ratio, R = FE/Fw m ,
is calculated. The output of the ratio element is sent to a ratio controller (PI) that
compares the calculated ratio Rm to the desired ratio Rd (set point) and adjusts
the manipulated flow rate accordingly.
Input 2
Ratio
>o
PI
> | POT >
Input 1
FIGURE 5.77 A flowsheet of a mixer

DYNAMICS AND CONTROL OF KLOW-DRIVKN PROCESSES 281
The input data are shown in Table 5.2 for simulation.

TABLE 5.2
Stream Temperature CO Pressure (aim) Flow rate (kmol/hr) Composition

E 50 1 Pe = 100 pure ethanol
W 60 1 = 150 pure water
Process variable at steady state = 0.667 (FE/FW = 100/150)

Controller output at steady state = 100 kmol/hr
Proportional gain = 4 %/%
Integral time = 20 minutes
Controller action = reverse
(a) Appljang the SYSOPO base property method, simulate the mixer model
operated at 1 atm.
(b) Using the given controller properties and default ranges, report the
ratio controller performance with two consecutive set point step changes
(0.667 -> 0.72 0.65) in the ratio.
Hint: Double-click on Input 1 transmission line and ill up Tables 5.3(a) and (b).
TABLE 5.3(a)
Value Spec
*,
>STREAMS("E ) Fcn("ETHANOL")
.
100.0 Free
<Ratio.Input! 100.0 Free
Similar table for Input 2 is obtained as:

TABLE 5.3(b)
Value Spec
w
>STREAMS("W ) Fcn("WATER")
.
150.0 Free
<Ratio.Input2 150.0 Free
In the next, double-click on Ratio element and get Table 5.4.

TABLE 5.4
Description Value Units
Inputl Input signal 1 100.0 kmol/hr
Input2 Input signal 2 150.0 kmol/hr
Output Output signal, Inputl/lnput2 0 667

.
Use Initialize Values button and incorporate the given tuning properties before
running the program.
282 PROCESS SIMULATION AND CONTROL USING ASI'RN""
5, 5 A reboiled stripper is used to remove mainly propane and lighter species from a
feed stream, shown in Figure 5.78. It has total 6 stages (including condenser
and reboiler) and no condenser.
The bottoms rate is 100 Ibmol/hr and the column top stage pressure is 150 psia
with a column pressure drop of 8 psi. The diameter of the stripper (Stages 1 to
5) is 6.5 ft. The reboiler heat duty is assumed constant, although it changes at
dynamic state. The sump has elliptical head with a height of 5 ft and diameter
of 2.5 ft.
For the closed-loop simulation, use the following data:
Dead time = 2 minutes
Magnitude of noise (standard deviation) = 0.01 Ibmol/lbmol
Proportional gain of PI = 1 %/%
Integral time of PI = 20 minutes
Controller action = Reverse
PCI
Feed
Temperature = 40oF
Pressure = 160 psia
Dead time Noise Pi
Component Flow rate
(Ibmol/hr) >o
c, 60
c2 75
C3 150
n-C4 175
n-C 60
5
n-C 35
8
FIGURE 5.78 A flowsheet of a stripping column .
(a) Using the Peng-Robinson thermodynamic method simulate the RadFrac ,
(STRIP2) model and compute the product compositions.

(b) Keeping the default controllers (PCI and LC2) unaltered configure a ,
'
composition control scheme (PI) coupling with a 'Dead time' and 'Noise _
elements to maintain the propane mole fraction in the distillate by

manipulating the reboiler heat duty as shown in Figure 5 79. Use the given .
closed-loop data and execute the dynamic simulations to test the developed
composition controller performance .
5.
6 Ethylene is produced by cracking of ethane in a stoichiometric reactor. The
irreversible elementary vapour-phase reaction is given as .
C2H6 -i C2H4 + H2
ethane ethylene hydrogen
Pure ethane feed enters the reactor model shown in Figure 5.79, with a flow
,
rate of 750 kmol/hr at 800oC and 5 5 atm. The reactor operates at inlet
.
temperature and pressure with 80% conversion of ethane .

DYNAMICS AND CONTROL OF FTOW-DRIVKN PROCESSES 283
pi
> M >o
FIGURE 5.79 A l
f owsheet of a reactor
U) Using the SYSOPO thermodynamic method, simulate the reactor model.

(b) Develop a control loop as configured in the low diagram to maintain the
desired reactor temperature by the adjustment of heat duty. Considering the
measurement lag of 1 minute, inspect the servo as well as regulatory control
performance. Report the tuning properties used to achieve a satisfactory
closed-loop performance.
5 . 7 A binary feed mixture consisting of methylcyclohexane fMCH) and toluene is
introduced above tray number 14 of a RadFrac distillation model, shown in
Figure 5.80.
O 1 phenol [
O 1 FEED h
FIGURE 5.80 A l
f owsheet of a distillation column
It is dificult to separate this close-boiling system (MCH-toluene) by simple binary

distillation.
Therefore, phenol is used as an extractant and introduced above
tray number 7 of the column The two input streams have the following
.
specifications shown in Table 5.5.

,
TABLE 5.5
Stream Temperature (*C) Pressure 'bar) Flow rate Mole fraction

PHENOL 105 14
.
100 nrVhr 10
.
FEED 105 14
.
181.44 kmol/hr 0 5/0.5
.
(MCH/toluene)
The column has 22 theoretical stages (including condenser and reboiler) with a
total condenser The distillate rate and reflux ratio are given as 90.72 kmol/hr
.
and 8 (mole basisrespectively. The pressure profile is defined with Stage 1

pressure of 1 10316 bar and Stage 22 pressure of 1 39274 .
bar. Use LMTD
assumptions for the condenser The reboiler heat duty is assumed constant. The
relux drum and sump are specified in Table 5.6.
TABLE 5.6
Item Vessel type Head type Height /Length Diameter

(m) (m)
Reflux drum horizontal elliptical 15
. 0 75
.
Sump -
elliptical 15
. 0 75
.
The column diameter and tray spacing are given as 2 m and 0.6 m respectively,
,
(a) Simulate the distillation column using the UNIFAC property method to
compute the composition of MCH in the distillate and that of phenol in the
bottom product.
(b) In addition to the default level and pressure controllers, insert a PID structure
to control the MCH composition in the top product by manipulating the flow
rate of PHENOL stream.
(c) Produce the plots to show the closed-loop control responses, and report the
tuning parameters, control actions and operating ranges for controlled as
well as manipulated variables used.
REFERENCES|
Luyben, W.L., (2004), "Use of Dynamic Simulation to Converge Complex Process
Flowsheets", Chemical Engineering Education, pp. 142-149.
Seborg, D.E., T.F. Edgar and D.A. Mellichamp, (2003), Process Dynamics and Control,
2nd ed., John Wiley & Sons, Inc.
CHAPTER
6
Dynamics and Control of
Pressure-driven Processes
61
.
INTRODUCTION
To know the transient characteristics of a complicated chemical plant, we need a dynamic

process simulator. It is well-recognized that Aspen Dynamics is such an efficient
flowsheet simulator used for dynamic process simulation. As we have seen in Chapter 5,
Aspen Dynamics simulator can be employed to design a process as well as its associated
control strategies.
Aspen Dynamics extends an Aspen Plus steady-state model into a dynamic process
model. If the steady state Aspen Plus simulation is exported to Aspen Dynamics, there
is a necessity to choose either flow-driven dynamic simulation or pressure-driven
dynamic simulation In a rigorous pressure-driven simulation, pumps and compressors
.
are inserted where needed, to provide the required pressure drop for material flow.
,
Control valves are installed where needed, and their pressure drops selected. For good
,
control , the pressure drop across a control valve should be greater than 0.1 bar. The
f ows through a valve should normally be liquid-only or vapour-only because
lf uid that l
the two-phase flow through a control valve is unusual .
It should be pointed out that for a pressure-driven case, we must not insert a valve
in the suction of a pump or at the discharge of a compressor (compressor speed or its
equivalent compressor work is manipulated). The control valves are positioned on the
f uid streams such that the controllers can manipulate the valve positions.
l
The simple lf ow-driven dynamic simulations have been discussed in detail in the
previous chapter. Therefore ,
here we are intended to study the pressure-driven
simulation .
A reactive or catalytic distillation column is exampled for the rigorous
pressure-driven Aspen Dynamics simulation as well as control.
285
6 2
. DYNAMICS AND CONTROL OF A REACTIVE DISTILLATION (RD)
COLUMN
Problem statement
The methyl tertiary butyl ether (MTBE) column configuration (Jacobs and Krishna,
1993) chosen for the simulation is shown in Figure 6.1.
Pure methanol (MeOH) feed

(liquid)
Temperature = 320 K
Pressure = 1 aim
Flow rate = 711.30 kmol/hr
Jy tCl-fpisT-Q
Feed stage = 10 (above-stage) 0| METHANOL Ft
CV2
PUMP
Butenes feed (vapour) CH butenes]-1

"
Temperature = 350 K 1-H l-IbotI-<>

'
Pressure = 1 aim CV3
Flow rale = 1965.18 kmol/hr RDCOLUUN
Feed stage = 11 (above-stage)

COMPRESS
Component Mol fracl
/so-butene (IB) 0 36
.
n-butene (NB) 0 64
.
FIGURE 6.1 A lowsheet for the production of MTBE.
The RD column (RadFrac) consists of 17 theoretical stages, including a total condenser

and a partial reboiler. Reactive stages are located in the middle of the column, Stage 4
down to and including Stage 11. In Aspen terminology, the numbering of the stages is
top downward; the condenser is Stage 1 and the reboiler is the last stage.
MTBE is produced by reaction of IB and MeOH:
(CH3)2C = CHa + CH3OH «-»(CHgk COCH3
IB MeOH MTBE
The liquid-phase reaction is catalyzed by a strong acidic macroreticular ion exchange

resin, for example Amberlyst 15. and n-butene does not take part in the reaction (inert).
The forward and backward rate laws (Seader and Henley, 1998; Rehinger and Hofmann,
1990) are derived in terms of mole fractions, instead of activities (products of activity
coefficient and mole fraction):
'
-
9244(M .
IB
Forward rate: rf= 3 67 x 1012 exp
.
RT xMeOH ,
-
134454> VMTB!'
Backward rate: r,, = 2 67 . x 1017 exp
RT
DYNAMICS AND CONTROL OF PRESSURE-DRIVEN PROCESSES 287
Here, z represents the liquid-phase mole fraction. The pre-exponential factors,

including the activation energy (kJ/kmol), are given in SI units. The catalyst is provided
only for reactive stages (8 stages total), with 204.1 kg of catalyst per stage (Seader and
Henley. 1998). The used catalyst is a strong-acid ion-exchange resin with 4.9 equivalents
of acid groups per kg of catalyst. So, the equivalents per stage are 1000 or 8000 for the
8 stages. In some references, the equivalents per stage are directly given.
The column, starting from Stages 2 to 16, is packed with 'MELLAPAK' (vendor:
SULZER) having a size of 250Y. Use 'Simple packing' hydraulics and the height
equivalent to a theoretical plate (HETP) may be considered as 1 m. The distillation
column diameter is 6 m. Stage 1 (condenser) pressure is 11 atm with a column pressure
drop of 0.5 atm. The relux ratio is set to 7 (mole basis) and the bottoms low rate is
640.8 kmol/hr. In the MTBE synthesis process, it is desirable to obtain a bottom product
containing high-purity MTBE and a distillate containing high-puity NB. In Table 6.1
the relux drum and the sump (the next-to-last stage in the column) are speciied.
TABLE 6.1
Item Vessel type Head type Height/Length (m) Diameter (m)
Reflux drum horizontal elliptical 2 1

Sump -
elliptical 22 .
1 1 .
The pump delivers the liquid stream POUT at 11.7 atm. The compressor (isentropic)
has discharged the vapour feed FV at 11.5 atm. The three control valves (adiabatic
lash) CV1, CV2 and CV3 have the outlet pressures of 11.5 atm, 10.8 atm and 11.3 atm
respectively. Using the UNIFAC base property method,
(a) simulate the process lowsheet to obtain the distillation product summary, and
(b) develop the control conigurations to achieve the desired product purity under
disturbance input.
Simulation approach
(a) Start the Aspen program by double-clicking the Aspen Plus User Interface icon
on the desktop. Then select Template option and press Oif (see Figure 6.2).
: aM
FIGURE 6.2
1
288 PROCESS SIMULATION AND CONTROL USING ASPEN"
We choose General with Metric Units option and hit OK button (see Figure 6.3).
016*11 _
L I _!_) *d U-i-lfcl I M 3 I I I J jU J J
l l I I l I HI J J J
_ _ ,
J U ali
mi in -
I
.
>.. I
0*. I ,.J h
1
r -
P.*
FIGURE 6.3
When the Connect to Engine window appears, use the default Server type (Local PC).
Creating flowsheet
The process flow diagram includes a feed pump a feed compressor, a distillation column ,
and three control valves. The complete process lf owsheet drawn in an Aspen window
should somewhat resemble the one shown in Figure 6 4 Recall that Aspen has a tool . .
in the toolbar that automatically takes the user through the required data input in a
stepwise fashion. The blue Next button does this.
-
o-
" if - *x
FIGURE 6.4
DYNAMICS AND CONTROL OF PRKSSIIRE-DRI\T N PROCESSES ,
289
At the beginning of data entry, fill up Global sheet followed by Accounting sheet under
Specii
f cations of Setup folder. Moreover, select 'Mole' fraction along with 'Std.liq.volume'
flow basis in Stream sheet under Report Options [see Figures 6.5(a) ,
(b) and (c)].
41
& -
Sim
Pi bw
HUB .
|
MMH .
fMM,
r 3 EC
ir S
FIGURE 6.5(a)
:.
>-B| *ifi »] atmnn-at .! 3 I 1"! jiJ 3
-
T i-l h r* .1 -IE; : II
a*-=- =
-
-
aa-2-
FIGURE 6.5(b)
_
j r
_
I I -I 1 ,
;
| .imi I M MgJ
nafhi >bJiiiF-a Jj
0
P lr<Ul«il>«tmd«.CTvtlci.i
FV>-.bM> fmctmUm SUWlflHllH

CtiHomUtii f7 Mod P Mod Iff [.''.>. 3
Optioni
r mwi r mm
P S-dlQrt***. r Stdklvcim. r ...m ..
.
P Conconni 2«o Hnw or hKbm

_
j RosrMru
[V . | ., , v . | --vr. w | CdUHM | RtKicni Pimtw*ClMngnt | MwdMrt | Scfcfc | UiaMotWi |
STREAMS Pmp Conif MCow fV»

FaH«te (wun
. gFoUeiiVwenButllV HUM FUntiwIlrpj r cWc
FIGURE 6.5(c)
The components involved in the example system are MeOH (CH40) IB (C4H8-5), NB ,
(C4H8-1) and MTBE (C5H120-D2). Within the parentheses, the chemical formulas
used in Aspen terminology are mentioned (see Figxire 6.6).
fh I* v** Date 1Mb Rui Pw itnuy Wndew
Iglg) _U *le) £1 raRI&Kl l-l n.| |

I r M I IT I W! I [a) -«l»«l
3MS
MEOH KTHANOL Hti
h EQWmfMi
NB i-BUIEHE C4HB'1
MIBE
.
_ J PwoCh.
.
J Con
. - . PA
J Si 35! I u'*
|» tdMAriMi | SwMka. ) KMEKtw«p> | 4 . | fiMcm Pimm Ounv" | |
i »tr»iiiiin
FIGURE 6.6

The user input under the Properties tab is probably the most critical input required to
run a successful simulation. This has been discussed in much greater detail in the
previous chapters. This key input is the Base method found in Global sheet under
Specifications option. Set UNIFAC for the present project (see Figure 6 7). .
1 d 1 J
1 3
'1 J 1 J
1 d 1 3
I J
1 J
1 r
tfclj l f | HatfE**** i CAM | if uuc- * -Ol«inii j 1 id* | UhWoMt |
FIGURE 6.7

Under the Streams tab, we have used Specifications sheets to input the data for both
the feed streams, BUTENES and METHANOL [see Figures 6.8(a) and (b)].
«k U DM I*M <k/. m lMm> Vnfc. rtw
a r i j-j-i ..if; 3 ») qU I
9 S3HS 1I
wo
I
-
ass
.
.
1
FIGURE 6.8(a)
E« V*. D«j 1b.
i r m i nr i ei i m mi
-
Dgrc
f R FH »| |..|[Tr
) mum* i i
HPS 3
la !.
J r: -.
"lur
1
il Pi9
mibe
i
'
SJIENIS
1 E0v«
.
_
j
j Fl
_
*
li FV
-
ICIHMBI
Res*;
Evripn | C<A«n | fUicioa IWttraCkw«m | > ,,...-. | c«bk | UisModn |
iKall-V HUM RtMndkwJfraOk
FIGURE 6.8(b)

In Figures 6.9(a) to (d), first the feed compressor details are giver.. Subsequently, the
three control valves, CVl, CV2 and CV3, are specified.
_
i r- I -1 I- IT
_
I lal I la
afbRTr H JulF 321) QLJ!!!!
-
fir-.
q hm 3
J tUIENES
1
S PI
_
J POUI
COMffltSi
Q Salup
f COVmUk
fi tO Ira'
I iaomMt | He Ertw vi | Coimi | ne*clait Ple»i»« Ch»»«< | MmWcn | St*df ) U« «(«** |

-
CH
. ; MM
FIGURE 6.9(a)
DYNAMICS AND CONTROL OF PRESSURE-DRIVEN PROCESSES
Fc
f {« Am l "** If* fV LtMV r Or.
"
ir LUJV _
'I'N Mai gH
0
-
a, n
A. F\
-
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.
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.
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a
a
a Bo.* O(*ora
3 MmnMtatm p
s t'J in"
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9 IQlfVJ
a snear O-.ji
5TREAKS Mm fSi* SSc*

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f o Mtfc sen R D4M* AOMiM]

.
MUM
A.per. flu, t.Pbl
FIGURE 6.9(b)
Ed| Pfc, Liv y K- ABE

nmm i i ibi "Pi »h r 1 hl J J J ill
»i Dial n.i
| - 'MM
ni»pMii|tH f -3 * I-
r c w**, I 1 1 r I
[23 ECVwwim
: : .
snWW m , r nti uai

D ttoA
.
OiWMit HUM
1107
FIGURE 6.9(c)
294 PROCESS SIMl'UVnON AND CONTROL USING ASPEN
d (BfacK-VlrVJ.rllnpui 0
* E* C«* Tadb Rrf, Plo i±1Mr wnx*. h*
"
r CAii» la tMtodoUM Peru-Mr ,
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J
_
2] Kea*:
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- ,
STi
f tWK Mm Ffp* SSt*
PaM essr; " '
£jc* ?Ow»ii
_
.HIM
FIGURE 6.9(d)
When the data entry for the feed pump is complete ,

the window should look like
Figure 6.10.
l r _ _
L _
LLJV 'I -isi
a -'
i
.
-r - y
m r
RiMP
f :
O Sim v _J
I MMMta. I tekk I J«M-M« I
£TRDMt
J
FIGURE 6.10
In the list on the left, choose Blocks I RDCOLUMN I Setup to fill up Configuration
sheet (see Figure 6.11).
'
Wal _LJ «m *) fJMfcl'.KM -I -il - I M -I 71 -I _J
i T I I I'
-
I - Wl I Ml -
3 3|.. ji :. -5j
1
I
i | IWMMi | ttaMlKf***, | CAM | ftxtin Pmm Omw

-
D-
FIGURE 6.11
Streams sheet defines both the feed streams (see Figure 6.12), FL and FV, as well
as product streams, PI and P2.
FTS C« vW. Dm r«* fW> fta -! i-

PWO| Uaelgl ral-rlai-l-al l »l
_
I I"! .! 1 'I J
r I M PT \ -m i wi
.«B ftH" Ml
It
- ia Ese
K J . -»...- >. " I MUM
FIGURE 6.12
The pressure profile of the sample RD column is described in window shown in

Figure 6 13.
.
p l|yi|yTff!l ?lWTfffF!ffBIHTi]f!Bl;I K | l]
E* Vwm OVs Took Run PM Lb«v Window Help
-
I9J 'I
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| -UCKy 6 Mno-.oliVoftl |[ Atpen Pkt
r - Simutali..
FIGURE 6.13
In the left pane of the Data Browser window select Blocks/RDCOLUMN/Reactions. ,
Filling out Specifications and Holdups sheets we have two windows as shown in ,
- if**!
fit EcW Rin PW Lfcraiy Wrf
r ow Help
mil 1*1 nl-rl&hHJidr l M. J EJ _J fiJ

i i i i isi
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(§ EOVanacf ist Endng Reactor. 10 fleaCton Chem:)iylti
aape JSOe
9 SpccGicmm 4 Rl
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t i I R-om P-.o-eCh. " | M .. I S<M | U:«
'
STREAMS caw ypgi v** _
1
C1- BFob»: iO«PV* 1'
FIGURE 6.14(a)
DYNAMICS AND CONTROL OK PRESSURE DRIVEN PROCESSES -
297
- i - -- nu Todi nw .)
"
-
LT -I t-'h f 1 I >im!
' i lai
J POX.
l
_
5- i
*
1
IS
MMrt'SelnB. | -L.r. | MHtEicnvvi | Qftm | RMaar Phom*| Hv iiam | Sdtt | LIwMeM |
Pw Pt-ir.
Pka 11 1 HUM
FIGURE 6.14(b)
Select Pack Rating under RDCOLUMN of Blocks folder. Creating a new ID, T,
and specifying the packing section as well as packing characteristics, we obtain
Figure 6.15.
.
f » Vmm Da* Ictb Hkfi FV» Lt»v f n
Wna H4>
i r-i-M nr -Mmi i ibi

1
Eg 1
1 3
"
3 ShWWw
XDCOUJMN
'
J
TO «>U«(. v*-
FIGURE 6.15
Choose Blocks/RDCOLUMN/Convergence and fix up the maximum iterations to

200 (see Figure 6.16).
* : F*s Ed* V*" t)au To* Hi PW U»*v Wn*w Hi*
SJ MM
Pwlwm*xe Curve; .
atic jVAIgMhmj Jtuttvcai] Diaywiici |
0 Usci Subroulnt
Bbt
r Optwni
BeaJi
1
« E0 Input
_
| Pom
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ij fiDCOLUMW IrJbakzatoia
r elhdd
o Setup
DesgnSpeci
D Vary UgwMgwd c m* tpKir.g metl d
9 Healed Coofei:
D Punpaiixridi
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S Ethaenaei
o fitadorn
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-
a Pack Pal
<J 1
® EtfrWei
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i> | SwMAioit | K«atExdMngtit j DAnmt ( RsMat n«tfuiB ChmpMt j HmpJato*
"
HUtod
STBEflMS
FffHsfc. p>G
| 'ChapW& HwosdtWotii |[ Aipen Pku SueuM> . y.. ie i8
FIGURE 6.16
In the next, dick Dynamic tab wader Blocks/RDCOLUMN The design specifications .
of the rel
f ux drum and sump are reported in Figures 6 17(a) and (b). .
-
l»lxl
'
Fir EA View Data Took Run PW Lbmy WMm H«t>
D|tf|H| .| GlflaKKI I n.| 11 >| «| a :a| 1

-
L r-i-i -i pr
-
-
i vm- \;\m *m
.
I Dynamic
PetJi 1
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© SpecGnxo:
RDCOLUMN
Total kwl»«k4MfrKiBn P
Condoa
r o Hcu
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CJ TiayRama
&-afl P«k R<*ng

-
<1 1
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SIREAMS ! PW
isimmsh
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M * .;j
- . row. i?. ; 1619
FIGURE 6.17(a)
IjtfiBj _U Mej J l n?Mftl*HH«!l I 1 1"! H 1 M

"
I r i -i.i IT -himi ( iiai «g!N

3
0 SMC Orn*.
j
1
_
I Cfa L St»ei
_
j CortJe HM-«i
_
4 PMt fi*";
I 1
0 Cw-waenu
"
5 IfaprflMH
(THKMIS
-
S -
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_
FIGURE 6.17(b)
Hydraulics sheet incorporates the information displayed in Figure 6 .

18.
- 5>
Fh £* V*- luco Rir> Ltto Wi<*>. K-t
2Mhj_U 1sj J i-hri&I Kk-l n>i -| ih| i-| l _

]
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3
j - :sec;
-
-
_
>
2 D~
[T W T|W| i
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S'-i r-
FIGURE 6.18
300 PROCESS SIMULATION AND CONTROL USINd ASRKN1
Hit Next icon to open the Reactions folder. For the forward reaction (Reaction No 1) .
and the backward reaction (Reaction No. 2), the stoichiometric coefficients and
exponents are defined under Kinetic' Reaction type in the two sheets as shown in
'
MBj _U *J f M M
-'Ie 3 1 M _1 ±J J J
ProA-tli
CetKotn 1 t**rm*
MECH 1 l
ISI »
-
FtMoicra
f " Hi SeiBa> | StoWOf | H** ttfhwigsn [ CtWn j RwCCi- Pi«b.b OianiiBn | Mjr xWa! | Soldi 1 UaaMod-h
-
o
"
SI REAMS tetF Con* MCon* r .t

Vt Po?
f iVAifuriFVji 11.1
C\ jFcWf HUM
sun I y-
FIGURE 6.19(a)
i r -i-i -i- nr \ lai
RWMtt
rt. .
r.-.,
MICE 1
J UMfl
tf HHi t*e»< I bWltoi I " f Kl«ro». | DAim | PmOo. Pimm* OunoMi | UitvJ**, | ioW, ] u«UuM<
FIGURE 6.19(b)
DYNAMICS AND CONTROL OF PRESSURE DRIVEN PROCESSES -
301
The Power law kinetdc data for both the reactions are provided in Figures 6 20(a) and (b). .
_
l r LL i
_ _ - - _
fV ! .mi 1 mi
3 :
us 5"'
o«flto.M1[iB-.p»*ii 1 mi - - .
FIGURE 6.20(a)
: * V*m Dm* Twt Rw Ptai Ltm- Wndn*
|jLi sial -J
,
I r I M- fj I l l
"
- 3
I en
It U»M«<PmwL«»
O Bkt* On
MTBE MEOH. iB
>
UAod
.
jo win
-
5!
FIGURE 6.20(b)
Running steady state simulation and viewing results

Results
As we hit Next knob followed by OK, Control Panel window pops up. Under
Summary/Streams the results are displayed in Figure 6.21.
,
302 PROCESS SIMULATION AND CONTROL USINd ASI'KN
I y I'M i hi- Mojiin i) (Reiulls SummAiy Slic«)mi Data Hrowsni|

-
fie Edi Vww Data To<* Ploi Ubtaiy Window H*lp
Djg|g] gial ig| yhdaJ iil l n.| p i [mJ i v\ l i _

j
i r i i i i m i w 1 1
a 3 j LJ ajfzi 3xJ Nil
Jfl Set* I
'V Gompooenli
i
J/J PlOpMlK)
"
MkM
3 Slre rn r bte|
Re«ctioni
i/\ C onveigence
1
1" Zi 1' zi I Zl 1 Zi {
t
_
j C iv Options Volume Flow ciWhi 5922 949 146 743 97 974 146 743 97 971 29 549
-
ED Lotiv Opl<on:
40136 4053 10 396 41 770 10 396
.
41 770 40150
© DM0 Baiic t Flow kmcWn
Mee
Q DM0 Adv MEOH 711,300 100 007 0 605 100 607 0605 711 300
© LSSQPBawc
IB 707 465 93 059 4 517 93 059 4 517
f/ LSSQPAA*
Tea. NB 1257,715 1231 290 26 425 1231 290 26 425
_
j Conveiaence MTBE 0635 609 253 0 635
. 609 253
Conv Order
' itcteFcac
i Sequence
_
j FlomhBeting Options MEOH 1000 0071 344 FfM 0071 944 PPM 1000
_
j ModelAnalysrs Tooli IB 0 360 0 065 01X17 0 065 0 007
/\ EG C&nliguration
'
NB 0640 0 664 0 041 0864 0 041

Qi Resulls Summary
Q Ran Status MTBE 446 PPM 0 951 446 PPM 0 951
Q Slreamt
Convergenu
Minut/SplmEiii | Sep««loi! | Heat EKchans«n ] Cokmm | ReMloii | Pressuie Changeis | MampuWoi! | Soidt | Usei Modds
-
a i K A
Matenal
'
STREAMS 1
Mw
ki
FSpB
r:,L.
SSpH
cc-o
r oFI
FcHetepe DABot* 2\Chap(ni
_
NUM FcsJl! A-ato'jfe
ChaplBii | -j] l>apla 6 MicKBOll Wold || Atpni Plm - E«_Pb1.., , '» Aipon Dyiamcs EK_Pb | « _
1126
FIGURE 6.21
The mole fraction of MTBE in BOT stream is computed as 0.951.

(b) Exporting dynamic simulation: In order to conduct the dynamic process
simulations, export the steady-state Aspen Plus simulation into Aspen Dynamics
with saving as a pressure-driven dynamic file.
Opening existing simulation

As we press the Start knob, point to Programs, then AspenTech, then Aspen Engineering
Suite, then Aspen Dynamics Version and then select Aspen Dynamics, a blank dynamic
simulation window appears. In the next, open the pressure-driven dynamic file saved
earlier. The screen looks like Figure 6.22.
It is obvious that the process lf owsheet includes the automatically inserted two
level controllers (LCI and LC3) and one pressure controller (PC2). Each of these
controllers has an operator set point (SP), a process variable (PV), also known as
controlled variable, and a controller output (OP), also called as manipulated variable,
whose values are obtained from the Aspen Plus simulation. These control structures
also have their own tuning parameters, and so on, suggested by Aspen Dynamics.
However, there is a scope to modify (or remove) the controller and its related items.
f ned below should be used in the closed-loop
The Aspen generated control loops dei
study of the prescribed catalytic distillation column.
J SAND QNTROL OF PRF.SSURE-Drivkn PRnrPgg,Q t 303
HSJ-Jl-(»>.
1 nr- <nm
teTH
J
1 ,
-,.,
FIGURE 6.22
Loop 1
Controller: LCI
Type of controller: proportional (P)-only (since reset time is very large)
Controlled variable, liquid level in the reflux drum
Manipulated variable: distillate (DIS) flow rate (percentage opening of valve CV2)
Use all default data, except proportional gain of 2 (suggested by Luyben, 2004)
Loop 2
Controller: PC2
Type of controller: proportional integral (PI)
Controlled variable: top stage pressure
Manipulated variable: condenser heat removal
Use all default data (suggested by Luyben, 2004)
the condenser heat removal and P denotes the pressure to be controlled. Assuming
direct control action the controlle r equation can be rewr itten for Aspen Dynamics
Qr = - 47 48 - Kc {PSP - P), where 47.48 is the bias signal (Vr.s' "s
,
**
e from stea dy state position,
.
-'
gn indicates heat removal (cooling operation). If we mov
'
< is dear that when pressure (P) increases, the error (PS/. P) va lue becomes negahv..
d ultimately
.
,
the neRative vain., ofQc decreases. Originally, the negative value should
increase because if pressure increases, there is a need to increase the heat removal
rate. Therefore, our assumption is wrong and it should be reverse action in Aspen
Dynamics.)
Loop 3
Controller: LC3
Type of controller: P-only

Controlled variable: liquid level in the column base
Manipulated variable: bottoms (BOT) flow rate (percentage opening of valve CV3)
Use all default data, except proportional gain of 2 (suggested by Luyben 2004) ,
Configuring new control loops

The primary objective of the example process is to produce a bottom MTBE product of
high purity. To achieve the desired product purity in presence of disturbance and
uncertainty, several control algorithms need to be employed with the reactive distillation,
It should be noted that in the control system of a RD process, the liquid level and
column pressure controls constitute inventory control, maintaining the basic operation
of the column. Thus, here emphasis is placed on the response of composition control
methodologies to maintain product quality as well as correct stoichiometric ratio between
the feed streams. In the following, different control schemes have been discussed for
three distillation sections, namely feed section, top section and bottom section.
Feed section
For a chemical reaction with two reactants , the type of l

f owsheet depends on whether
we want to operate the catalytic distillation column with no-excess of either reactant or
excess reactant (Kaymak and Luyben, 2005). For a double-feed RD column if there is ,
any imbalance in the inflow of the two reactants ('excess reactant' case) the product
,
purity drops. This is because one of the reactants becomes excess and exits with the
product stream, and this stream would have to be further processed to puriyf the product
and recover the reactant for recycle. Obviously the 'excess reactant' l
, f owsheet requires
at least two separating columns and is therefore more expensive. However it is easier
,
to control. On the other hand, the 'no-excess reactant' flowsheet has better steady state
economics but presents challenging control problems because of the need to precisely
balance the stoichiometry of the reaction.
Several control structures used to maintain the correct stoichiometric ratio of the
reactants have been proposed by researchers (e g Al-Arfaj and Luyben, 2000; 2002;
. .,
Wang et al., 2003). To meet this control objective the controller requires some type of
,
feedback of information from within the process to indicate the accumulation or depletion
of at least one of the reactants. This can simply be done by the use of an internal
composition controller by manipulating the flow rate of one of the fresh feeds. There
are also other efficient control techniques (e.g. cascade control, inferential control)
,
reported for stoichiometric balancing (Wang et al. 2003). However, it is not practical
,
to simply ratio the two feed streams as has been proposed in some of the literature
,
papers. Flow measurement inaccuracies and feed composition changes doom to failure
any ratio controller that does not somehow incorporate information about compositions
inside the reactive system and feed this information back to adjust fresh feed.
For the concerned distillation column the methanol composition is controlled on
,
10* stage by the adjustment of the methanol fresh feed. The butene feed rate is flow
controlled. It is worthy to mention that manipulating the methanol feed to control an
internal methanol composition is preferred when the butene feed coming r f om the
upstream units is not free to be adjusted. If this is not the case then alternatively the
,
f
.
so-butene concentration, instead of methanol concentration may be controlled on a
,
reactive stage by adjusting the butene feed rae

t .
We are now moving on to configure the composition controller for methanol feed.
To do this, click on expand symbol (+) of Dynamics subfolder. Then again hit expand
button of ControlModels icon. Subsequently, select the PID object, drag it to the l
f ow
diagram, place the control block near to CVl block and rename it as CC4. In the next,
expand Stream Types and use ControlSignal icon to complete the CC4 configuration,
shown in Figure 6.23. Chape
t r 5 presents a detail of how to configure a control structure
in Aspen Dynamics.
i a
Urn . -
. - B-
FIGURE 6.23
A little detail of the composition control loop for methanol feed is demonstrated
below.
Loop 4
Controller CC4
.
Type of controller: PI
Controlled variable: liquid phase mole fraction of MeOH on Stage 10
Manipulated variable: fresh methanol (FL) flow rate (percentage opening of v alve
CVl)
306 PROCESS SIMULATION AND CONTROL USING ASPLN
Before executing the simulation run, it is customary to have a look on the data
sheet. For this, double-click on CC4 control block and then press Configure knob in the
faceplate to open the Configure dialog box. As mentioned in Chapter 5 it is wise to ,
click on Initialize Values button. Still one doubt is there: is the value of process variable
(PV) displayed same with the steady state liquid phase concentration of MeOH on
Stage 10 obtained in the Aspen Plus simulation? Be sure about it choose Blocks/ ,
f le. Then select 'Liquid'

RDCOLUMN/Profiles with opening the Aspen Plus simulation i
in the View field in Compositions sheet and obtain the table shown in Figure 6 24, . with
liquid mole fraction of MeOH on 10th stage of 0.04886022. This value is identical with
that of PV in the Configure dialog box.
od* Run PV)
MBI : 1: 1 m|»l *l
ii
f
Jl PUMP
RDCOLUMN
MEOH 0 MB HTBE
)a;o**55i
OfMISlTO 38*86533 100131275

Jozifeicot 1»ES3*34
0 Ennnoei IL0IZ12G3J OOMOTSIO EoTs55i5
001337085 10M511M
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_
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Pack Sono
2) Pad 01li7K« 1774il1n )08216104
01Z2106 17DW9391
'
1 CMEOSieO Ol jUSGS) < 69301«?6
Q
tifl32m4« D6Ei;632 319X4092
3 0101*553 155553*01 132125213

O Dyoamx
-
a*
STREAMS
0 w* ?y3>Wl«
.
I[lr53
FIGURE 6.24
The controller CC4 is tuned by trial-and-error approach and the parameter values
have been chosen as:

Integral time = 5 min
Use default values for other items including bias signal, ranges, etc.
Notice that by the similar way, we can design the flow controller for butene feed of the
RD column.
Top section
In addition to the LCI and PC2 control structures, the distillate composition can be
controlled by manipulating the reflux flow rate. In an alternative approach, along withf
the pressure control (PC2), we can control the reflux drum level by the manipulation o
f ow rate can be adjusted by a ratio control law to give
the reflux rate and the distillate l
a constant reflux ratio. In the present case, the former control scheme has been
incorporated for performance study.
DYNAMICS AND CONTROL OF PRESSURE-DRIVKN PROCESSES 307
Bottom section
In the bottom section of a distillation column, it is a common practice that either the
bottom product purity or the tray temperature near the bottom of the column, which
has a strong correlation with the product purity, is controlled at its desired value by
the manipulation of the reboiler heat duty. For the sample process, we have implemented
a composition control structure for product quality control.
As the CC4 control block has been connected, similarly we can incorporate the
other control structures discussed above with the distillation flowsheet. The window,
shown in Figure 6.25, includes a closed-loop scheme in which the MTBE purity is
controlled in the bottoms by adjusting the reboiler heat input and the methanol impurity
in the top is controlled by manipulating the reflux flow rate. As stated earlier, the
concentration of methanol on the reactive stage it is being fed to (Stage 10) is measured
and controlled by the manipulation of the fresh methanol feed rate. The butene flow
f ow-controlled. The liquid levels in the reflux drum and the base of the column
rate is l
are maintained by the distillate flow rate and the bottoms flow rate, respectively. The
condenser heat removal is manipulated to control the column pressure. All of the
structures are single-input/single-output (SISO) structures with PI controllers (P-only
on levels).
c 0 a *q
-
-
M
m 5
JC»r.Lt»*v TV)-HM*
m m
.
r«uv(.-, m
f r*ti»f nm ?i li <c J" l'

uMl
t iMMKaa itoa :j l« to it i
e
IniWBiio rra« ?J .' It. It 11
tUB c-aitaad at 119 16 t'
1
tiu|*tion ttuwH 10 lit* L> Bool ;<h»ineri Jus" T«»» dwnl
,
ll I .
FIGURE 6.25
The details of control Loops 5 6 and 7 are presented below. ,
Loop 5
Controller: FC5
Controlled variable: molar l

f ow rate of butene feed (FV)
Manipulated variable: brake power (shaft power or brake power of motor or engine
required to drive a compressor)
Proportional gain = 0.5 %/%

Integral time = 0.3 min
Use default values for other terms
Loop 6
Controller: CC6
Controlled variable: MTBE mole fraction in the bottoms
Manipulated variable: reboiler heat input

Loop 7
Controller: CC7
Controlled variable: MeOH mole fraction in the distillate
Manipulated variable: reflux rate (mass flow)

Now the flowsheet is ready for closed-loop performance study Start the program
.
as usual. It is important to mention that to restart a dynamic simulation click 'Restart'

,
(F7) from the Run menu or press 'Re-start Simulation' button on the Run Control toolbar.
Performance of the closed-loop RD process

In the present study, two consecutive step changes in methanol feed temperature (46.85
-
» 40oC at time = 1.7 hours and then 40 -> 460C at time = 3.9 hours) have been
introduced to examine the performance of the closed-loop RD process. A change in feed
temperature affects the internal composition in the reactive zone. This, in turn, may
deteriorate the product quality. The system responses to temperature disturbance are
illustrated in Figure 6.26. It is obvious that the proposed structure is able to maintain
the MTBE purity in the bottoms under the influence of disturbance variable. It can
also prevent excessive losses of both methanol and iso-butene in the products.
Each Aspen Dynamics model includes dif f erent plots and tables from which we can
easily access the simulation inputs as well as results. For this, first highlight a
block or stream, then right-click to point Forms and i f nally select the item that we
want to access.
EBB
-
A -
1 r-
A
»5fl
i
jf5
ill 1 4--
FIGURE 6.26
Performance of the closed-loop RD process with Measurement lags

Aspen Dynamics screen, shown in Figure 6.27 includes three dead time blocks (DTI,
,
DT2 and DT3) connected with three composition controllers (CC4 CC6 and CC7). ,
Ot- [ZtK- F
o5 3
4
x-i
- -
mf
Lii
13 iJ
FIGURE 6.27
The measurement lag of 15 sec (0 25 min) is used in all composition loops. To .
incorporate a dead time for a measured variable say methanol mole fraction on ,
Stage 10, highlight DTI block right-click on the block, point to Forms and then select
,
Configure to open the conif gure table. In the Value cell enter 0.25 min as a sensor ,
dead time. Follow the same approach for other two dead time blocks .
Here, we have used the proportional gain of 1 %/% and integral time of 20 min o
f r
all composition controllers. The effects of disturbance in butene feed temperature have
been depicted in Figure 6.28.
mm
Fte View Took Wtxjow Heb
Q b: B SQi IS .iV IDynamic 3 h « IB » l

f b? t! Cl B
SfnUahon
r tt Tf Gi«i|oo5 j i; a* v»
_
' K
-
I phut !-:-»&-
o<- gl«
3e+001, step =i=e- 5 0000e-002 sCep

to 23 83
to 23 84
to 23 85
to 23 86
arfcad x se r-
i-r*
U>V>* | jjDlWS-MiCToll.. I A«»»Pte-t..W. | y <iM»teot.inole«,,||k7 fapm D «o. ... « #r)0 IS26
FIGURE 6.28
Initially a step decrease (76.85 -> 650C at time = 8 hours) and subsequently a step
increase (65 -> 760C at time = 15 hours) have been considered in the simulation study.
The developed closed-loop process l f owsheet responds satisfactorily under load variable
change and measurement lag.

In Chapter 5, we have studied the dynamics and control of the flow-driven chemical
processes. Here, a case study has been conducted on a MTBE catalytic distillation
column using the pressure-driven dynamics. The complete process flow diagram includes
a distillation column, a feed compressor, a feed pump and three control valves. In the
MTBE synthesis process, a bottom product containing high-purity MTBE and a top
product enriched with n-butene are obtained. To maintain the MTBE purity in the
bottoms stream, several control structures have been configured with the flowsheet in
DYNAMICS AND CONTROL OF PKKSSURK-DRIVKN PROCKSSKS .*J 1 1
Aspen Dynamics. All of the structures are SISO schemes with PI controllers (P-only
on levels). The controllers have been tuned by simply using heuristics. The proposed
closed-loop process provides satisfactory results under disturbance input and
measurement lag.
PROBLEMS
6 . 1 A binary mixture of ethanol and l-propanol enters a flash drum (Flash2) The
feed specifications are shown in Figure 6.29 with the process low diagram .
Liquid mixture
(UQ-MIX) CV2
Temperature = 90X
Pressure = 1,4 bar
Flow rate = 120 kmol/hr cCH liq-mix f»B-[fgiE
CV1
Component Mol fract
ethanol 06
1-propanol 04 .
-
(pF]->t'i-|pdt-uq1-o
CV3
FIGURE 6.29 A flowsheet of a flash drum
The lash chamber operates at 90oC and 1.2 bar. The vertically placed separator
with a length of 2 m and diameter of 1 m has elliptical head type. All the control
valves have a pressure drop of 0.2 bar. Applying the RK-Soave thermodynamic
model as a base property method,
(a) simulate the flowsheet to obtain the product compositions,
(b) design the two control schemes to maintain the pressure and liquid level in
the lash chamber, and
(c) examine the performance of the designed controllers.
6 .
2 Styrene is produced by dehydrogenation of ethylbenzene Here we consider an .
irreversible reaction:
C2H5 -> CgHs - CH = CH2 + H2

ethylbenzene styrene hydrogen
The process low diagram that consists of a reactor (RSTOIC) a feed compressor ,
(COMPRESS) and a control valve (CV) is shown in Figure 6 30 .
An isentropic compressor discharges the FEED stream that enters the RStoic
reactor at 2 bar The reactor runs at 260oC and 2 bar The control valve involves.
a pressure drop of 0 2 bar Use the fractional conversion of ethylbenzene equals

.
08 .
.
Applying the Peng-Robinson thermodynamic method.

(a) simulate the lowsheet and ,
'
b) observe the closed loop process response employing the flow controllers.
-
312 PROCESS SIMULATION AND CONTROL USING ASPECT
Pure ethylbenzene
Temperature = 260oC
Pressure = 1 bar
"
M ! [pptI-
o
cv
-
|feed|-1
COMPRESS RSTOIC
FIGURE 6.30 A flowsheet for the production of styrene.
6 . 3 The hydrogenation of aniline produces cyclohexylamine in a CSTR according to

the following reaction:
C6H5NH2 + 3H2 -> CeHnNHa
The complete process flowsheet is provided in Figure 6.31. It includes a pump
having a discharge pressure of 41.2 bar, an isentropic compressor having a
discharge pressure of 41 bar, an elliptical head-type vertically placed reactor
having a length of 1 m and three control valves with a pressure drop of 0.2 bar
in each.
FEED FL P1 -
u
F1
CV1 CV2
PUMP
> <
F2
>ff J 1 PDT-LIQ \-0

CV3
COMPRESS RCSTR
FIGURE 6.31 A flowsheet for aniline hydrogenation

The reactor operates at 41 bar and 120oC and its volume is 1200 ft3 (75% liquid). For
,
the liquid-phase reaction the inlet streams Fl and F2, are specified in Table 6.2.
, ,
TABLE 6.2
Reactant Temperature (°C) Pressure (bar) Flow rate (kmol/hr)
Pure aniline (Fl) 40 7 45
Pure hydrogen (F2) -

12 7 160
DYNAMICS AND CONTROL OF PKKSSURE DRIVEN PROCESSES 313
Data for the Arrhemus law:

Pre-exponentiaJ factor = 5 x lO8 m3/kmol s
Activation energ>' = 20 000 .
Btu/lbmol
ICJ basis = Molanty

Use the SYSOP0 base property method in the simulation. The reaction is first-
order in aniline and hydrogen, and the reaction rate constant is defined with
respect to aniline.
(a) Simulate the flowsheet to compute the product compositions ,
ibi configure the control schemes for maintaining the liquid level pressure and ,
temperature in the CSTR. and

(c) investigate the closed-loop process response under any disturbance input
6.
4 Repeat the above problem with adding a time lag of 0.2 min in temperature
measurement and carry out the closed-loop process simulation to report the
disturbance rejection performance of the developed scheme
6 . 5 In addition to the level, pressure and temperature controllers, include the flow
controllers with the flowsheet, shown in Problem 6.3. and inspect the closed-loop
process response.
REFERENCES |
Al-Arfaj. M A. and W L Luyben (2000) "Comparison of Alternative Control Structures .
for an Ideal Two-product Reactive Distillation Column Ind. Eng. Chem. Res., 39,
"
pp 3298-3307.
Al-Arfaj. M A and W L. Luyben (2002) "Control Study of Ethyl fert Butyl Ether Reactive
,
Di-tillation." Ind. Eng Chem Res., 41, pp. 3784 -3796. .
Jacobs. R. and R Krishna (1993) "Multiple Solutions in Reactive Distillation for Methyl
.
tot-Butyl Ether Synthesis Ind. Eng. Chem. Res., 32. pp 1706-1709.

.
"
Kaymak D B and W L. Luyben (2005) "Comparison of Two Types of Two-temperature

,
,
Control Structures for Reactive Distillation Columns "
, Ind. Eng. Chem. Res , 44,

pp 4625-4640.
Luyben ,
W L. i2004i "Use of Dynamic Simulation to Converge Complex Process
Flowsheets Chemical Engineering Education pp. 142-149
"
.
,
Rehfinger A and U Hoffmann (1990)

.
,
"Kinetics of Methyl Tertiary Butyl Ether Liquid
Phase Synthesis Catalyzed by Ion Exchange Resin-I Intrinsic Rate Expression in .
Liquid Phase Activities Chem Eng. Set.. 45. pp. 1605-1617.

"
.
Seader J D and E J Henley 11998) '

.
.
"Separation Process Principles, John Wiley &
Sons In< . New York .
W Bng, S J I) s H WonK and E K Lee (2003) "Control of a Reactive Distillation Column

,
.
m the Kinetic Regime for the Synthesis of n Butvl Acetate Ind Eng. Chem Re* . "
42 . pp B182-5194.
Index
ABSBR2. 164 ('hmmnil phtnt, 180

AbNorplittn cnliunn, UM Compoaonl ))>, I Ml
'
AnounlinK mformnhon. I I. 'M. 58 ( omponpnt tijuiii<, I it.

Acetone, 93 ('onfiguro dialog bosp li'io
Activation energy, (>r> Control pnncl, 20
Adsorption, 100 Control vnlvi'M. 22!)
Aniline, M (iontrol modali icon, 2(18
ArrhrniUH Inw, Bf*. 70 '
( outI'ol Mi mil icon, 2(18
ASPEN. :J (!yclohoxylamina, (ir»
Aopen batchCAD, 1
Aapen chroniHloKmphv. I
Aapen Dynamica, 1 I cnniei', 7, 51
Ahpimi Dynaniica 22!) ,
1 )(«(>( lianisuir column, n>7
Aapen HYSYS. 1
DcHi n ipac, I7(i
Aapen Plus, I
Di'w point, 35
Aapen polymers pliiH 1
Direcl acting control, 243
.
Anpcn prnpcrl ich I

Diaplay plot, I7i>
Diatillation, l()7
Diatillation train, 180, 100
Hhmc method )H ,
Bati hKrac I0H Diatl, 107

,
Binary diatillation column I )nvirin tor i r, 100

,
' th
M
Binary mixture \2 I )i mn modela, 7
,
BK10 tr>i Dryer, r>2

Block 7 ,
D8TWII. 107. 108
Block inftirmation 33 ,
I dynamic mode, 253
'' "
' ' - Me point ,
28 i kynumicN library, 2(i7
Dvnn I'M IS. r>
'
t'tnlvtir dialillation 28fi ,
OIJIOK 152 .
Mi hyll'onMtne, 56
flbemCad ,
. 1 rixpOlll'lltN, 2il7
316 INDKX
Flash 2, 3, 7 Peng-Robinson 60 ,
Flow-driven, 229 PetroFrac 108,
Flow-driven simulation, 229 PetroFrac model 1 48 ,
Formula, 116 Plot wizard 48. 90, 147 ,
Fraction basis, 195 POLYSRK 204 ,
FSpht, 204 Power law 54, 87 ,
Pre-exponential factor 65 ,
Pressure-driven simulations 229, 285 ,
Geometrv data, 237 PRO/1ITM 3 ,
Process flowsheet window 9 ,
Process variable 249 ,
HETP, 287
Property method 18, 32. 39 ,
Hvdraulics sheet, 299

Pulse input 253 ,
HYSYSTM, 3
Pumparound circuits 149 ,
Initialization mode, 253

RadFrac, 107
Initialize values button, 273
RadFrac model, 127
Input summary, 23, 64
Ranges tab, 247
RateFrac, 108
RBatch, 54
Ketene, 93
Kinetic, 74
RCSTR, 54
Kinetic factor, 100 RCSTR model, 230

Reconnect destination, 192
Kinetic reaction type, 300
Kinetic sheets, 238 Reconnect source, 193
REFINERY, 154
Regulatory performance, 254, 275
LHHW, 54, 93 Rename block, 11, 193
LMTD, 256 Rename stream, 193
Report if le, 23, 122
Report options, 15
MTBE column, 286 Requil, 54
Material STREAMS, 7 Results plot dialog box, 251
Measurement lags, 309, 310 Reverse acting control, 243
MELLAPAK, 287 RGibbs, 54
Methane, 93 RK-Soave, 28. 32
Model library, 5 RPlug. 54, 78
Molarity, 76 RStoic, 54, 55
Multi-input/multi-output, 243 Run status, 62
MultiFrac, 107 RYield, 54
NRTL, 52 SCFrac, 108

Sensitivity analysis 172 ,
Sep 1, 2, 7
Object manager, 179 Separators, 42
Operator set point, 247 Servo performance 275 ,
Optimization, 178 Setup, 15

Side strippers 149 ,
Single-inputysingle-output, 243
Pause at time, 251 Solver settings, 13
PENG-ROB, 140 SRK, 52
INDEX 317
Stepwise, 7 UNIFAC. 287

Stoichiometric coefi
f cients, 237 User Models, 7
Stream information. 18. 33
Stream table, 22
Styrene, 55 f action 210
Vapour r ,
SULZER, 287 Variable number 180 .
SYSOPO*. 18 Vinyl chloride monomer 189, 203

,
Temperature approach, 262 Wilson model 43

,
Template. 5 Winn-Underwood-Gilliland method 107

,
PROCESS SIMULATION
AND CONTROL USING
ASPEN AMIYA K. JANA
As Ihe complexilv of a plant integrated with several process units increases solving Ihe model structure with a large equation
,
set becomes a challenging task. To overcome this situation, various process flowsheet simulators are used. This book describes
the simulation, optimisation, dynamics and closed-loop control of a wide vaiety of chemical processes using the most popular
'"
commercial flowsheet simulator Aspen .
The book presents the Aspen simulation of a large variety of chemical units, including flash drum, continuous stirred tank reactor
(CSTR), plug flow reactor (PFR), petroleum refining column, heat exchanger, absorption lower, reactive dislittation, disiillation
train, and monomer production unit. It also discusses the dynamics and control of flow-driven as well as pressure-driven chemical
processes using Ihe Aspen Dynamics package.
KEY FEATURES
Acquaints Ihe students with the simulation of large chemical plants with several single process units.
*
Includes a large number of worked out examples ittustrated in step ay-step format for easy understanding of the concepts.
Provides chaptered problems lor extensive practice.
This book is suitable for the undergraduate and postgraduate students of chemical engineering. It will also be helpful to research
scientists and practising engineers.
THE AUTHOR
Amiya K. Jana received his B.E. degree in chemical engineering in 1998 from Jadavpur University, M.Tech. in chemical engineering
in 2000 from IIT Kharagpur, and Ph.D. in chemical engineering in 2004 from IIT Kharagpur.
Presently. Or. Jana is Assistant Professor at IIT Kharagpur. His areas of research include control system process intensification,
,
and modelling and simulation. He is also the author of ChemiesJ Process Mode/ing and Computer Simukuon published by
PHI learning.
You may also be interested in

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A Textbook of Chemical Engineering Thermodynamics, K.V. Narayanan
lSBN:')7l-lWD3-3l.S1-,1
Rs. 295.00
www.phlndia.com

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PROCESS SIMULATION AND CONTROL USING ASPEN

It is a great pleasure to acknowledge the valuable contributions provided by many of my

Part I Steady State Simulation and Optimization

2, Aspen Plus Simulation of Reactor Models 54-106

3 . Aspen Plus Sinmlation of Distillation Models 107-185

Part II Chemical Plant Simulation using Aspen Plus

Part III Dynamics and Control using Aspen Dynamics

6 . Dynamics and Control of Pressure-driven Processes 285-313

Steady State Simulation and

By developing a computer program, it may be manageable to solve a model structure of

12 . GETTING STARTED WITH ASPEN PLUS SIMULATION

Aspen Plus is a user-friendly steady state process flowsheet simulator. It is extensively

closed-loop control, Aspen Dynamics (formerly DynaPLUS) will be used in several

Serve« type Local PC

Q Save as Default Cormeciion

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1 3 1 Built-in Flash Drum Models

FIGURE 1.4 A lowsheet of a lash drum.

jjH* - <*- i -ja- -- md.n -fw »

Next, we need to fill up the table as suggested in Figure 1 18. A Component ID is .

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- u m m: vr rai-«-l«»|««i|-4| *»-| »"l

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Specifying property method

Specifying stream information

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V*poi Fnc 0 018

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