Process Simulation and Control Using Aspen

astern
PROCESS SIMULATION AND CONTROL USING
METHANOl
BUTENES
RDCOLUMN
CCS
AMIYA K. JANA
Rs. 295.00
PROCESS SIMULATION AND CONTROL USING ASPEN
Amiya K. Jana
@ 2009 by PHI Learning 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 Private Limited, New Delhi-110015.
Preface
"
The future success of the chemical process industries mostly depends on the ability to design and operate complex, highly interconnected plants that are profitable and that meet quality, safety, environmental and other standards To achieve this goal, the software
"
.
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
software package
has been used for steady state simulation, process optimization, dynamics and closedloop 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 eficiently by using Aspen lowsheet simulator. This software tool is f
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

f
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

simulator is used in both Part I and Part II.
vii
) 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
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 f
,
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 Engineering, IIT
Kharagpur. I am also grateful to Prof. D. Mukherjee, Head, Department of Chemical Engineering, 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 Private Limited, for their
constant encouragement and unstinted efforts 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 manuscript.
Any further comments and suggestions for improvement of the book would be
gratefully acknowledged.
rial
Contents
Preface Acknowledgements
vii ix
Part I
Steady State Simulation and Optimization
using Aspen Plus

1
.
Introduction and Stepwise Aspen Plus

Flash Drum Examples
1 1
.
Simulation:
3-53
3
Aspen: An Introduction
2 Getting Started with Aspen Plus Simulation 1 3 Stepwise Aspen Plus Simulation of Flash Drums
1
.
4 7
7
, , , _
13 1
. .
Built-in Flash Drum Models

Simulation nf a Flash nmm
13 2
1 33
. .
Computation of Bubble Point Temperature
28
35 42
50
, ,
1 3
. .
4 Computation of Dew Point Temperature 1 3 5 T-xy and P-xy Diagrams of a Binary Mixture
.
.
Summary and Conclusions

Prnhlpms
, ,
50
Reference
2
,
53
Aspen Plus
2 1
.
Simulation of Reactor Models
54-106
54
Built-in Rpartor Models
2 Aspen Plus Simulation of a RStoic Model 2 3 Aspen Plus Simulation of a RCSTR Model 2 4 Aspen Plus Simulation of a RPlug Model
2
. . .
55 65 78
93 104
704
Aspen Plus Simulation of a RPlug Model using LHHW Kinetics Summary and Conclusions
.
25
Prohlpms
Reference
v
106
VI
CONTENTS
Aspen Plus
3 1
Sinmlation of Distillation Models
107-185
107
Rnilt-in nistillntinn Mndols
32
.
Aspen Plus Simulation of the Binary Distillation Columns

3 2 1 Simulation of a DSTWTT Mnripl
108
IQfl
3 9. 9
3
.
Simulation of a RaHFrnr MoHpI

Simnlnt.ion of a RaHFrar MoHpI
122
3 Aspen Plus Simulation of the Multicomponcnt Distillation Columns

3 3 1
.
136
13fi
332
. .
Simulation of a PetroFrac Model
148
3
3
4 Simulation and Analysis of an Absorption Column
164
5 Optimization using Aspen Plus
178
181 l2 f
; , -
Summary and Conclusions Problems
Part II
4
.
Chemical Plant Simulation using Aspen Plus

Simulation of Chemical Plants 189-226
189
203
Aspen Plus
4 1 TntrnHnrtion
2 Aspen Plus Simulation of a Distillation Train
3 Aspen Plus Simulation of a Vinyl Chloride Monomer (VCM)

Production Unit

Prnhlpms
220
220
References
226
Part III
5
.
Dynamics and Control using Aspen Dynamics

229-284
229
230
Dynamics and Control of Flow-driven Processes

5J 52
.
Tnt.roHiirt.ion Dynamics and Control of a Continuous Stirred

Tank Reactor (CSTR)
3 Dynamics and Control of a Binary Distillation Column

, , ,..
255
279
279

Prnhlpms
References 6
.
284
Dynamics and Control of Pressure-driven Processes

il Tnt.rndnrtinn f
285-313
285
6 2
.
Dynamics and Control of a Reactive Distillation (RD) Column
286

Problems References
310
31J 313
Index
315-317
Copyrlghled maierlal
Part I
Steady State Simulation and Optimization using Aspen Plus
Copyrigf
CHAPTER
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
software.
(SimSci-Esscor). In 2002, Hyprotech was acquired by AspenTech.
However, most widely used commercial process simulation software is the Aspen
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).
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 f
a
Copynghled material
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 coalbased 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 industries. 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 software package, we will mainly perform in this book the steady state simulation and optimization. For process dynamics and
INTRODUCTION AND STEPWISE ASPEN PLUS
SIMULATION
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). f
MM
MM
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I-
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 specific
'
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 defined 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 briefly (Figure 1.3).
Copyrighted material
Connect to Engine
Serve type
Liter Into
Node name:
Local PC
Uset name Password
Working dfedory:
Q Save as Default Cormeciion

OK Exit
Help
FIGURE 1.2
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Material STREAMS icon

Status bar
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Model Library toolbar
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FIGURE 1.3
INTRODUCTION AND STKPWISK ASPEN PI.US
SIMULATION
To develop a lowsheet, irst choose a unit operation available in the Model Library. f
Proprietary models can also be included in the lowsheet window using User Models
option. Excel workbook or Fortran subroutine is required to define 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 f
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 threephase (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 coeficient calculations of a two-phase (liquid-liquid) system. This separator includes two outlet liquid streams along f
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. f
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
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.
,
FLASH
FIGURE 1.4
A lowsheet of a lash drum. f f
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).
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FIGURE 1.5
As the next window appears after hitting OK in the above screen, select General with English Units (Figure 1.6).
INTRODUCTION AND STEPVV1SE ASPEN PLUSIM SIMULATION

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1
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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 f
default, the separator is named as Bl.

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Copyrlghled
10
PROCESS SIMULATION AND CONTROL USING ASPEN1
To add the input and output streams with the block, click on Streams section (lower left-hand comer). There are three different stream categories (Material, Heat and Work),
as shown in Figure 1.8.
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-
FIGURE 1.8
Block Bl includes three red arrows and one blue arrow as we approach the block
after 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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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.

..
0
.
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-
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<o-e-a.o.irFIGURE 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.
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FIGURE 1.11
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12
Alternatively, highlight the object, press Ctrl + M on the keyboard, change the name, and finally hit Enter or OK. After 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. f f
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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 f
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. f f
We have defined 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 ind Next in the Tools menu f
use shortcut key F4
As a consequence. Figure 1.13 appears.
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INTRODUCTION AND STKPWISK ASPEN PLUS
SIMULATION
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FIGURE 1.13
Configuring settings As we click OiC on the message. Aspen Plus opens the Data Browser window containing
the Data Browser menu tree and Setup/Specifications/Global sheet.

Alternatively, clicking on Solver Settings and then choosing Setup /Specifications in the left pane of the Data Browser window, we can also obtain this screen (Figure 1.14).
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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). f
.
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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
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FIGURE 1.16
SIMULATION
15
We may wish to have streams results summarized 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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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. f f
Specifying components
Clicking on Next button or double-clicking on Components in the column at the left side and then selecting Specifications, we get the following opening screen (Figure 1.18).
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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.
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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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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. f
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tt-
FIGURE 1.22
The Type is a specification 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 defines 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 left, 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.
ll
INTRODUCTION AND STEI'WISK ASPEN PLUS
SIMULATION
19
cina
Tiers r
"
i
0 samii (Ham
UVUM .
-
parr
-
AFU
I t4 -I - I . Co
|M
f>
FBI
P j miD
a-
HO-e-o-i-it.
FIGURE 1.23
Ha
'ssH
0]t*lMI rmr f5~
i~i-..t>-rv
Im7V=
f, .rilll
'
31
Dt
it:
*
nns
,
ri.ttn
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 left side, we get
the block input form. After 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
~
i :r
.-
u>i"iUNIFAC Gioup 3 /Spc>rioalion>{ Floih.Ophwn | ErJ
D - I
'I -isil
lai alS*l
UN1FAC G<oup
.
__
J
-
Cl
_
0ot ,
A sJyBJ
PMP>SMi
gp-n=-3
-
K>OE5I<iN
0
(#>
tMCPMAL
TXPOftT
O
*
.
VIE
ilj Lifl
Advanced >=
-
JQ
-
Input
EO varial
IS
| Be
FLASH
Conv Opnoj EO Conv Option*
Setup
DMOBasK
49
Input CompteK
DMOAdv
[1
Mbcwt/SpBtsit
'
Sopjuato.. j HmI Exciwigsi t Columni | FtMclnt | Pfonuio Chonoe

FlaihS Deca/Kei
Sep
:
STREAMS
H 0 - 9 -CDFlh2
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 .IPI
. I > in
rnim
Tl SJ b li""
1 ] all*3
-lj
cjJ
Cl ~-T
=1
3
! 7.1
33
to Conv Option*
CarrvOpllam
.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

Q rtm eai vw DM* roota Lih..i..
,
21
QhrjAj*i j-j an
.| ihi .j
1"! _=J
-
3?)
3 I
H -iroh
L_jih
"
3 r
"
3 r
. loch:
Pt.iofva and PoU<** Soipti
p"
l t*i * *S'-
f" '.. i ' r..:.
Command Lr |
AI bkK+ hv bean .
0
STREAMS FU>K3
6 -ciD
Fl<nH3
Dcanl-
Sup
Sp2
FIGURE 1.27
Viewing results
Hitting ATex button and then clicking OK, the Run Status screen appears first (see Figure 1.28).
yil l .i.l.lJIII.II..IIHIII.I.IMItMIIIIH.HI II.Wl'ltlll.Ml.llltHW
I
-
I Ffe
Edt
VKm
Data
Tools
Rvxi
Mot
Lbtoty
Window
htetp
ItflHI
-I v| daHal
-
3 m I _iJ_iMi_L
B Ru-i Slatut
S i Streams
3 sQg r
Run Statu*
Streams
QU
RaMiU Swranarv
-
Convergence
Atpen Plui Vetswn

Lite
prrr [fLash CALCULATIONS

"
Dale and lime

Uminam S*\D
Machnelypo
[JUNE 5. 2007
[AOMIN IS TRATOB |TEAM_EAT [WIN32
1 23621 Pm
Hott
iCONTROLLAB
Use << and >> robiowie testitt
MBW./Scfcie..
S*
) Hal E-changst | CcWa | Beclor.
e Chang**
Man
j Sobd. | U>Mo4* |
(0-9 o 8 .
FIGURE 1.28
From the Data Browser, choose Results Summary /Streams and get the following
We can Backup f i le (*.bkp) takes name the i f le whatever we want. Note that an Aspen Plus
screen that includes the final results of the given problem (see Figure
( .apw).
1 29).
.
Save the work by choosing File/Save As/...from the menu list on the top.
much less space than a normal Aspen Plus Documents file
22

1j Fto '. ,-V . Took Run P
JSbd JMSj-d HIP
jsJ . j . i
J/l
Block*
I
"
1 fo. * r
r
50 0
i f. nr i
3 5l<amTblf[
- 3
200 0
ion on
rjj 1
2000 ion oo
Vapo* Froc
Mote Flow cmot/hi f
Mas* Ftow b/h.
v
0016
220 462 15906 41* 1039 561 16 583
0 000
1 000
1 Tf 971
13312.698
42 492
2593 716
. l:...- Flow culler
382.439
1243?
3008 065
2 236
lE.Hhlpy
C3H8 NC4H10
MMBtu/hi
Mole Flow bmolVIv

22 046 44092 66139
N.C6H14
9 275 30124 56 242
12 771
13 969 9 896
5856
eeies
82 329
(V
STREAMS
*
Mixw
' FVwh2
" ""
pMto!
SoiMralof* { Heal Enchangon | Column* | Recto.. \ P-eume Chongeij \ Mo puMw* | So*. | Um. Models )
Flaih3 D>came> 3ep
Sep2
C.\-
HO 0 cd
Aspen Pkn - Simulatl_
For H*te, press Fi
.g Pol<tou\Ajper. PK 11,1
NUM i
- .
..
Av,4,>:-
Start}}
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 Tocfc Run Ffevaheet Librvy Whdow Help
1 global j
|e.|
. I
lai
1
L 50 0
Temptntuit
Pttiiun
200 0
200.0 100.00 1000 42 492
pri
15 00 0 018
.
100 00
0 000
V*poi Fnc
HoUFtow fcrnoVhi fcftu VokuntFlw
220462 15906 414 1639 561
177 971
13312 698
382439
-
2593 716 3008 065

-
EnlhJpy
Hole Flw C3H8 H-C4H10 K-C5H12
MMBtu/hi
16583
12.499
2236
22 046 44 092 66139 88 185
9 275
-
12 771 13569 9996 5 856
30 124 56 242 82.329
H-C6H14
Mok Trie
C3K8
HX4HI0 H-C5H12
H-C6H14
0 100
.
0053
0 169
.
0 301
0 200
.
0329 0233
0 138
.
OJOO 0 400
0 316 0 463
Mm/Spitlan Sflprntms { Heat Eicchangeit { Cdum | Reactori | PrMtue Chmgeii j Mmpdalai | Soldi j Use. Models j
-
D-
<0-8-o
C:V.oF<*lefs\ApenMun.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
Dlrctory CtSproarur 11 TBc\Aspanrai:n\WDrklng Polaei ' j' iveft Plus 11.1
tllnnm*
mMPuis DPLUS RCSULTS-ON TITLE 'PlHh Calculations '

lii.
IN-UNir
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, Propariy Haihooi wona eln* M*l for
"
lEfol/. oiu/hr, eirft/hr,
Incur: NOll
: '.
i r j -
report
. Mola *lo / SOLIDS / UttROANIC / t
PUBCII
tOASPENPCO
/ AQUCOUS
PROP-IOURCES CUBEll CJm8 C3h8 /

N-camo caxio-z
N-cenW "lOWSHEET
/ MJUCOUS
/ SOCIOl
/ INC>Ra"IC
CftHH-l
ih-e aut-v l
bicc>
flash
PROPERTIES SY5OP0
.*
SUOSTRCAH -EO TEWB.lo. xe-fbc ana o.i / w

N-c6nl4
PBE5-11, MLE-PLOB-i00. -ktcVr>-> kio o.j / n-cihi? o. t /
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 ASPEN TECHNOLOGY. INC.
HOTLINE: U.S.A. 888/996-7001
TEN CANAL PARK

CAMBRIDGE. MASSACHUSETTS 02141 617/949-1000
EUROPE (32) 2/724-0100
24

JUNE 10, 2007
SUNDAY
PLATFORM: WIN32
VERSION: 11.1 Build 192 INSTALLATION: TEAM EAT
_
11:23:23 A.M
ASPEN PLUS PLAT: WIN32 VER: 11.1 FLASH CALCULATIONS
06/10/2007 PAGE I
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 RUN CONTROL INFORMATION DESCRIPTION FLOWSHEET SECTION FLOWSHEET CONNECTIVITY BY STREAMS FLOWSHEET CONNECTIVITY BY BLOCKS
1 1 1 2 2 2
COMPUTATIONAL SEQUENCE
OVERALL FLOWSHEET BALANCE PHYSICAL PROPERTIES SECTION
COMPONENTS
U-O-S BLOCK SECTION
2
2 3
3
4
BLOCK: FLASH MODEL: FLASH2

STREAM SECTION F L V
4
5 5
PROBLEM STATUS SECTION
BLOCK STATUS
ASPEN PLUS PLAT: WIN32 VER: 11.1 06/10/2007 FLASH CALCULATIONS RUN CONTROL SECTION
RUN CONTROL INFORMATION
PAGE 1
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:
SIMULATION
25
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: LOCATED IN:
apmain 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
ASPEN PLUS
PLAT: WIN32
VER: 11.1 FLASH CALCULATIONS FLOWSHEET SECTION
06/10/2007
PAGE 2
FLOWSHEET
STREAM
CONNECTIVITY
SOURCE
BY
STREAMS
STREAM SOURCE DEST
DEST
F
L FLASH
FLASH
FLASH
FLOWSHEET
BLOCK
CONNECTIVITY
INLETS
BY
BLOCKS
OUTLETS
FLASH
V L
COMPUTATIONAL SEQUENCE SEQUENCE USED WAS:

FLASH
OVERALL
FLOWSHEET
BALANCE
MASS AND ENERGY BALANCE
IN CONVENTIONAL COMPONENTS 22.0462 44.0925

66.1387 88.1849
OUT (LBMOL/HR)
22.0462
RELATIVE DIFF.
0 101867E-09
.
C3H8 N-C4H10
N-C5H12
44.0925
66.1387
-
0 326964E-10
.
0 113614E-10
.
N-C6H14
88.1849
0 332941E-10
.
26

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
ASPEN PLUS PLAT: WIN32
VER: 11.1
06/10/2007
PAGE 3
FLASH CALCULATIONS PHYSICAL PROPERTIES SECTION

COMPONENTS
ID
C3H8 N-C4H10 N-C5H12 N-C6H14
TYPE C C C
FORMULA
NAME OR ALIAS
REPORT NAME
C3H8 C4H10-1 C5H12-1 C6H14-1
C3H8 C4H10-1 C5H12-1
C3H8
N-C4H10
N-C5H12 N-C6H14
C6H14-1
VER: 11.1 FLASH CALCULATIONS U-O-S BLOCK SECTION
06/10/2007
PAGE 4
BLOCK:
FLASH
MODEL:
FLASH2
F
INLET STREAM: OUTLET VAPOR STREAM:
OUTLET
LIQUID
STREAM:
SET:
L
SYSOP0
PROPERTY
OPTION
***
IDEAL
LIQUID /
***
IDEAL
GAS
MASS
AND
ENERGY
BALANCE
IN
OUT
220.462 15906.4
RELATIVE DIFF.
0 000000E+00
.
-
TOTAL BALANCE
MOLE(LBMOL/HR) 220.462 MASS(LB/HR) 15906.4 ENTHALPY(BTU/HR) -0.165833E+08
0 782136E-11
.
-0.147349E+08
-0.111463
INPUT DATA
TWO PHASE TP FLASH SPECIFIED TEMPERATURE SPECIFIED PRESSURE

F PSI 200.000 100.000
30 0 000100000
.
MAXIMUM NO. ITERATIONS CONVERGENCE TOLERANCE

***
RESULTS ***
OUTLET TEMPERATURE
200.00

OUTLET PRESSURE HEAT DUTY
VAPOR FRACTION
SIMULATION
27
PSI BTU/HR
100.00 0 18484E+07
.
0 19274
.
V-L
PHASE
EQUILIBRIUM:
COMP
C3H8
F{I)
0 10000
. .
X(I)
0 52117E-01
0 16926
.
Yd)
0 30055
.
K(I)
5 7668
.
N-C4H10 N-C5H12
N-C6H14
0 20000
.
0 32874
.
1 9422
.
0 30000
.
0 31602
.
0 23290
.
0 73697
.
0 40000
.
0 46260
.
0 13781
.
0 29790
.
VER: 11.1 FLASH CALCULATIONS

STREAM SECTION
06/10/2007
PAGE 5
F L V
STREAM
ID
L FLASH FLASH
MIXED
FROM
TO
FLASH
SUBSTREAM:
PHASE:
MIXED
LIQUID
9 2754
.
VAPOR
COMPONENTS: C3H8
N-C4H10
N-C5H12
LBMOL/HR 22.0462 44 0925

.
12.7709 13.9688
9 8963
.
30.1237
56.2424 82.3291
66 1387
.
N-C6H14
88 1849
.
5 8558
.
COMPONENTS:
MOLE
FRAC
C3H8
N-C4H10
0.1000 0 2000
.
5 2117-02
.
0 3005
.
0 1693
.
0 3287
.
N-C5H12 N-C6H14
TOTAL FLOW:
0 3000
.
0 3160
.
0 2329
.
0 4000
.
0 4626
.
0 1378
.
LBMOL/HR
LB/HR
220.4623
1.5906+04
177.9706
1 3313+04
.
42.4917
2593.7158
3008.0650
CUFT/HR
STATE VARIABLES:
1839.5613
50.0000 15.0000 1.8002-02 0.9820 0.0
382.4385
TEMP PRES VFRAC LFRAC S FRAC
F PSI
200.0000 100.0000
0 0
.
200.0000 100.0000
1 0000
.
1 0000
.
0 0
.
00
.
0 0
.
28

ENTHALPY:
BTU/LBMOL BTU/LB BTU/HR

ENTROPY:
-7.5221+04 -1042.5543 -1.6583+07
-7.0232+04 -938.9019 -1.2499+07
-5.2612+04 -861.9118 -2.2356+06
BTU/LBMOL-R BTU/LB-R
DENSITY:
-130.1235 -1.8035 0.1198 8.6469 72.1503
-123.3349 -1.6488 0.4654 34.8100 74.8028
-87.8846
-
1 4398
.
LBMOL/CUFT LB/CUFT AVG MW
1.4126 02 0.8623 61.0406

-
ASPEN PLUS PLAT: WIN32 VER: 11.1
06/10/2007
PAGE 6
FLASH CALCULATIONS PROBLEM STATUS SECTION

BLOCK STATUS
* *********** ******************************************************** ** * * * * * *
Calculations were completed normally All Unit Operation blocks were completed normally
All streams were flashed normally
*
*
*
*
*
*
************************************************************************:!:;!=
13
.
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 Ci c2 C3
i-Ci
n-Ci
Mole fraction
0 05
.
0 1
.
0 15
.
0 1
.
02
.
i-C5
n-C5
0 25
.
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
Among the three choices, select Template option and then S

L L J.-i..'i- I iM
After starting the Aspen Plus simulator, the Aspen Plus Stnrt
,.,
v i
e
F Tl 3
j
BlMtt i ~| S!| -j j jj
t ,J;'&9'lr.lrtoi\Aitr.leI:MV l,1gffj
Ptft.,..- "" TTrTtrtilVfnrt.i0ritliiiV>iWnrfca 11

:
,Asinwi
C 'Pi09'*T>F'f'''-!CW"lecl-AW1>t>jFceii'A Mr!rt,: n
!i
FIGURE 1.32
When the next window pops up (see Figure 1.33)

and then hit OK.
select General with Metric Units
3 -II
...d..ji:;L:
1 1
raliH
FIGURE 1.33
the simulation engine, we are ready to begin entering the process system.
In the next
press OK in the Connect to Engine dialog. Once Aspen Plus connects to
30
Creating flowsheet
Using the Flash2 separator available in the equipment Model Library, develop the
following process flow diagram (see Figure 1.34) in the Flowsheet Window by connecting
the input and output streams with the flash 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
gl *w
0
o
mm
o-e-oi-ir_
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).
-.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|aIBI
i
.
-I -I rW
i h.i> rsr
ralt-Htl l-al
3J . I
I ' m
I"! J?J 21 j J Si
I _ti>|g| -
t.-'l(.
i Us*-**,
11
-
< O Q <=>. @ . 4 .
KM a IV- II I MM
i
!r.i-.
FIGURE 1.36
Click on TVex button or choose Components /Specifications in the list on the left. Then define all components and obtain the following window (see Figure 1.37).
~
rfc
mm
Ma
took
"
pw
iav
wfc-
t.
PisgLBJ
_
.1.1 Hl SI
I-I"I>
aKifcKl-ai i H II
i xapji i iw
JhJ
'H
! jcj
1 J
-
tgj <irM
i cuari n.i
/ -.
ii.-
MMM
9 BmiMM VMM
L
-
11 d i it .jf
'
..
. 4
l.w..-->.,
s-m
H 0 8 cd. g - f .
[ li itin
j . i
ci
rio<
>....-_i- ... i
FIGURE 1.37
Copyrlqhted material
32
Hit Next button or select Properties / Specifications in the column at the left 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
. -
i
F-3
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.
TmsxS\zi zl 2
'-I
H 21 61
.ifLdB&teMMI)
n
m
TTD
-3 =w
3
MIX
MM I *
FIGURE 1.39
INTRODUCTION AND STEPWISR ASI-KNJ>LU
sim
33
Specifying stream information
Click OK. Alternatively, use the Data Browser menu tree to navigate to the Streams/1/ Input/Specifications sheet. Then insert all specifications for Stream 1 as shown in Figure 1 40
J
la
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tcxnpojitior.
. 1 1,,
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Ssp falais j He Esdw ers j Columns | Reaclw: [ Piessine Changers j Manipulators : Solids j UferModefi
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J Start j j
Apen plu, - Skmdab-
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FIGURE 1.40

Hit Afort 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
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STREAMS
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FIGURE 1.41
34
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
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41
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o o
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e - it Sep
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'
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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 >'
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vv.
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33
Setup
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.
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.-.. .
FIGURE 1.43
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
WMllwilfc iiiy
NM1
IB
3(viP*Jl
ra
f O Cor- OBban*
O
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
.
.
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
Component
Mole fraction
0 05
.
Ci C2 Ca
<-c4
n-CA
0 1
.
0 15
.
0 1
.
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.
36
Simulation approach As we start Aspen Plus from 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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For Help, prws Fl
ft? Start] 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
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For M*, pre PI
Start j
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PV
FIGURE 1.46
SIMULATION
37
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).
gjffc i f
Dm >
Ha-w- Ifca*
.iffi J
c-
St*
CD
if
n>rJ f* i c-*. -3 s.-
itftLWfS
mt|
-i>w.
|>-icj- i.tanwr|| FIGURE 1.47
- # i
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. Configuring 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.
'
Specifying components Here we have to enter all the components we are using in the simulation. In the list on the left, choose Components /Specifications and ill up the table following the procedure explained earlier (see Figure 1.50). f
Copyrighted malenal
38

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J U
-
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Sup
3
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-
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MUM
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FIGURE 1.48
Mi
Fie E* View Data Tools Run Plot Lfcrary Window Help
Lit
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h j/j Setup
Specifications
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/GlobalI ./Descnption /Arc
:
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0 Report Options | Components

Properties
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FtowsheeSng Options Mate'Analysts Tools

.
ifl
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FIGURE 1.49
SIMULATION
39
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i-!>-i' it
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I 111
SlJ "" -l ""H
I ~ I
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<o-8o.i.ii:
FIGURE 1.50
Specifying property method 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
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FIGURE 1.51
40

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
-
Iikl*J*l<Jij Sd 2J j-LiiLl 1 3 .
L r
_
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jO 8 0-8 C
AvenPfcn-SknutotL-
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FIGURE 1.52
The final area that requires input is the Blocks tab. In the list on the left, double-click on Blocks and then select DEW. Filling up the input form, we have Figure 1.53.
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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
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HI
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o-e-oi-it(Will
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MM'I
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
-
a -.
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(O-e-o-i-it1 im*f n u tw ' i
FIGURE 1.55
42
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 flash 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
9-o
STfSAMS
FIGURE 1.56
After 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!fll>l*l<H !ti 3 -i l-l.TJ S -I 1U

r
'-
.1 ..b;
: . IP
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j .
FIGURE 1.57(a)
213
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<iF-i] >>j aal -I
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3 <o'-
CH
oeo.@.
t Mi(.i,tra5-i
FIGURE 1.57(b)
Specifying components Hitting Next button and defining the components (ethanol and water) in the input form, one obtains Figure 1.58. Specifying property method
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).
,
44

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ASPEN1
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STREAMS
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-f
FIGURE 1.58
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33 Prop-Set)
Advanced
Input Complete
fit'
MMKt/5p(tlM
Spaifoi> j Heat Exchange" | Cokjmnl | Reactors | Piohuio Chonoelj i ManipuWoit | SoWi | LUei Model: |
Por Hefc., pren PI

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Reoui-i dlnp-jt lnco.Tcl

.
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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

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
Specifying stream information The next window includes a stream input form. Specifying temperature, pressure, low rate and components mole fraction, one obtains Figure 1.61 as shown. f
PlflftlM<M!
31 jUjU-=J S il Ed
J6
I
.
--r- :
it
If
."HI
ft
-nvm i
iia"
m m
wa
nr a
-
o-e-o-i-irFIGURE 1.61
(a) Creating T-xy plot:

Figure 1.62.
Selecting ToolslAnalysis I Property I Binary, we have
Copyrighled material
46
Q ru r vh> Ma TnA =.. itrvy wrdw h i
ni lMl -I U
ini ff)
j . i I
'I -IflPJ J - Jill mm
ffTIwioL
F3
J BSg I
nr
[ iii.r-ini<
iiiiuuTiJi I imii*mim I c *
| n- .. | p.m.o--. i m****-. i
u.m~** i
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 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).
'
' ,
lot*
Pun
lAfy
Wnion
rteto
rsKlfel i Kl
.-
tj
|n| jl!
IJ
l-M- r
"
3 3
[WATER
lUj- "> ru.,
His-1
jEIKWDL
|l
MM
>>.l Vox x.-
to..
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
problem to get the plot based on the given information.
but there is no
INTRODUCTION AND STEPWISE ASPEN PLUS1 M SIMUL.\TION
47
OltflBI lai Mel l
r-i-i-i>nr
5J r3ii-|*i*i<H!l 2 I -"IBI I' g 21!!
Ji) M
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|fc!|-qM!!H 3i
-
.i .m-
m\
Mil*
I MMI
rwrrc
Wtfm
: : -
<o e-o-e-a;
MpiM.i lM4Ml-
FIGURE 1.65
46

ru tut M* I** BiW H>>> Vrt Ji-
"
:;
i Mf n:
. .
i i
'i mo;
i"i SM
j tRLAMb
REAMS
'
rih2
fLwM
C'mjtj-
'if
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
|W*TER
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
problem to get the plot based on the given information.
but there is no
SIMULATION
49
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.-IkU-
DM
. ..
.
11
FIGURE 1.68(a)
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FIGURE 1.68(b)
Copyrighled material
50

Notice that the plot window can be edited by right clicking on that window and
.
selecting Properties
font
,
In the properties window, the user can modify the title axis scale 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 first. 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

with a flow rate of 100 kmol/hr at 3 bar and 250C to a flash 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 flashed at 1 atm and 110oC. The feed mixture with a flow rate of 100 kmol/hr enters the flash 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
i-C4
n
Flow rate (lb moiyhr)

12 448
-C4(LK)
i-C
5(HK)
36 23 39.1 272.2
31 876.3
Ce C7
c9
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

1
SIMULATION
51
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. 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
1
.
hydrocarbons with the following composition at 345 kN/m2(see Table 1.4).

TABLE 1.4
Component
c3
n-C4 n-C5
Mole fraction
0 05
.
0 25
.
04
.
Ce
f
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
Component
c,
Mole fraction
0 05
.
c2 Ca
i-C4
n-C4
0 1
.
0 15
.
0 1
.
02
.
i-Cs
n-C5
0 15
.
0 15
.
c6
0 1
.
Use the SRK thermodynamic model and consider the inlet temperature of 30oC,
1
.
pressure of 4.5 bar and low rate of 100 kmol/hr. 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. f
(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)
1
Consider the RK-Soave thermodynamic model as a base property method. 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).
52
PROCESS SIMULATION AND CONTROL
USING ASPEN
TABLE 1.6
Component
n
Flow rate (kmol/hr)

10 3 75
.
-pentane
ethanol
water
Applying the NRTL property method simulate the decanter block to compute the flow rates of two product streams 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
Component
n
Flow rate (kmol/hr)

33.623
0 476
.
-pentane
ethanol
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
n
Split fraction in stream T

0 999
.
-pentane
ethanol
water
09
.
(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 1
.
11 Repeat the above problem with replacing the separator Sep2 by Sep and using
split fraction of water 0.4 in Stream T.
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

Wet
SIMULATION
53
Temperature = 75DC
Pressure = 1 aim
Flow rates
AiROur;
S(02 = 800 Ib/hr

H20 = 5 Ib/hr
WET
Air
AIR
0
dry;
Temperature = 200oC
Pressure = 1 atm Flow rates = 50 Ibmol/hr
N2 = 80 mole%
O, b 20 mole%
DRYER
FIGURE 1.70
A lowsheet of a dryer f
REFERENCE
AspenTech Official Site, When was the Company Founded?, http://www.aspentech.com/

corporate/careers/faqs.cfm#whenAT.
C H A PT E R
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 ratebased 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
kinetics. The user can define the reaction kinetics in Fortran subroutine or in excel
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
f
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.Mft, I-Hid 3
I I l-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

jzj
I M I I I lAl
I- I
[5'.f**-i "v.* (Ma

' j
r .
jJ.
mo; Mil E-v v 'Mi
j" *-** /.r JV--- *.j m

,
( 'to-.
jw*-Ntaet SkwtrM
'th BM
. ,
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:
User Info
Local PC
Node name :
User name: Password:
Working directory:
O Save as Default Connection

OK
Exit
Help
FIGURE 2.3
Creating flowsheet
the Model Library toolbar, then choose RStoic icon and finally place this unit in the
We are now ready to develop the process flow diagram. Select the Reactors tab from
blank Process Flowsheet Window. In order to connect the feed and effluent streams
MODELS
57
COriier
with the reactor block, click on Material STREAMS tab in th As we move the cursor, now a crosshair, onto the proces flnw
s
two red arrows and one blue arrow. Remember that red a f ' arr0WS are re(luired
blue arrows are optional ports.
rrow
fui ,
ts and
-
we make the image as shown in Figure 2.4.
ne and click a~Hn tv f a stream is labelled as 1. Addmg the outlet stream to the reactort tJXwa WW
,
Click once on the starting point, expand the feed li
y' UIiaiiy
I .lal
Ml
03-
In
i . i . S -O-M-i
o
-
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.
lIVl
-
c*
. r'
CJ
'
Kf!
Pin
ftr-Kl-
LI'-TV
iWoc,-.
DltflBI BI
Id iff! GN-|e>IM<iM h-I "I
I IH
-i
Eh-
at
rsms
acs'R
FIGURE 2.5
the message from Flowsheet Not Complete to Required Input /ncom ff . fsimulation. ation lete the
to enter th* remaining data using several input forms required to comp
Obviously, the Sia s md/cator in the bottom right of the mam window h
changed
58
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 ID: ANYTHING 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
_
iai
UMsi
[jjttiEjjft
L- .1
lU
-
I- S . S . -Q-M-OB.BM
Bi
u.
'-.C---
KC TIi
PFtjj
Rfem.
FIGURE 2.6(a)
Jl-T -
i I- fV
I -M
lal fifj
FIGURE 2.6(b)
ASPEN PLUS
SIMULATION OF REACTOR MODEI S

Mil
59
: r-i-hi r
! .|gi
ip' h-i
Dm
r _
dm
utM
it
I i i I M>l Umomm I
'
tifc
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 defined 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. f
I?!
i "" TH III
-1-
sr-l 8 18 0IIU
FIGURE 2.7
fd materic
60
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
w]
KW>|<H
m -1 H JpJjJ J
3
r
J * few Proc*lit
"
"
""
"
1 3
3 3 3 3
U **-
STREAMS
_
RSldc
fn'M
BE
RSbte
RCSTR
fiPH)
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 fraction), we finally have the following screen (see Figure 2.9).
DZSMSSEGSSSD
:
fi*
Hot
Utorr
Wrdo*
H-fc
I r
I -1 "I T
'
I -Ml
I . 131
A|>Mdiedtio<n| FWiOwonTl
|/M1XED
i]
to'***
"
Ware 2mu
3
"
p3"
(i a ******
'wr-S-
0
D
'
J -
ur
ttBUH,
su -1 - Bl i. - BO i q m reS f"" SSiS

'
.
,.JCTJ
FIGURE 2.9
ASPEN PLUS
61
Specifying block
information
From the Data Browser, select Blocks/REACTOR. Specifying operating conditions for the reactor model, the form looks like Figure 2.10.
Efb
3
|-.| ..IB
q .>| ol,,!
F tc.
PCStB
CTo
Mvg-
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
62
Running the simulation 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
/Sptfeahont /ReRcadicxs
,
As8V.'Bend
1 Contujlion | HMHiResclion | Setaclily | PSO | EowmrtAm |

ETHYL-01 > STYREHE . KrtiflOGEN
-
RxnNo
Specilicaiun type Stochiotneby
IttrCanpi
UNIFAC Group*
<l 1
I
'
Comp-GroLps
Con-.p-Lis's
1 1
Cperty Methods
tstrfi tficn
S
':
Jj > p
Moiecua- Sbuctm ParameJers
At tequfed npd u ocmpHe Y j can rui the MnuMlon nitw. w iiu can erttr more input To er4er more f-pj. Bated Cared thn
seled t e ooUont yoj mM tnyn Ihe Dais poldOAT-, menu Rui ir-e sirxilatiwi now?
D
S
_
-
Advanced &reanS
Jfl : (1 EOVsraH CJ P Bocks
P Rwchom occu r ien
3
.
RECTOR
Inpu Cnplete
[H "
-
Mnwii/SpWer;
'
Hea<Ev.-.
i9Pt;
J.,,
Rucloi
Chsnga, | M<n>M>t ( 5c> j UMo*b |
CH
RStdc RYieW
Boot
.
STREAMS
F
,
,
r Ho press F1
-
'
Stall *
Aww.RaocDdr | Awr.Mcd
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
.
.
step, select Results Summary /Streams in the list on the left and obtain the final results
(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
ASPEN PLUS
63
'
>k
An
[Mi
Tot
\r
Um
<.>.
MO
tnut iulmtiu imi."

ui tmrrrxz
un nn i<
nt ecu iiuti
. unm
nm a tmh
tmis us
um
wen*
Mat- unic
CH
s ' w*.
mw<
n*
w> ii>*j
FIGURE 2.13
T I M
I
-
-I -lei
I
3
-
"
3 "-'-I
a)
55T:
-
J
<w
.
t
"
"
is*"
i.
M,
iMm
l>ii
lU
Man'*
m
cna
inpp
BUB
Waw'
VI | ****** | HU**
incMA
"-
m- @ . i . e u m u
' irw wto* MMt ac S
I r
FIGURE 2.14
64
Ffc
Edt
Vfew
0a
Into
ftjn
nowheri
Lfc fy
VAk w
Het
'
lup
IT
LiiE|
|a|
EES;:
gIBll|Oi.
lall|'rj.
.aaJj'lL
Mto SlAtM | Salami | HealEKclwgeij | Cokfwx naactan | pienueChange!i | Manpiaton | 5cM [ UmModeb |
STREAMS
1 BSinc
,
BEoii
S 0 U 31U
HGMis RCSTB BPItg RBaM.
\ s FoWen JJswn Ru H 1 HUM lfloAi Artfahie
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
Oirecrory C: Proqr-5R Pi les'AspenTech .norfcing Pol ders'.Aspen Plus 11.1
input Sugary created by Aspen Plus K1. 11.1 at 12:U:CM Thu jul 5, 300?
Fllep
e Ci
' .
Users-.akjana.AppMtaMocal Terep -ape906.tK}
title
'SlmUllon of the fiStolc Reactor"

'
IN-UNITS KET VOLU> E-FLOS<- cuB hr

HCAT-TRAHS-CfASS-DENSITVt-ASS-EWTM .P-
ENTM*LPV-Fl.O-'*lkcal/hr' A kcal/hr-sqn-K" PRESSURE"bar TEMPERATURE-C

'
"
VOLUHE-CUIT OELTA-T-C HEAD-neter httLE-DENSin'- fcisol/cuni'

'
& &
'
kg.'CUH" W)LE-NTHALP- kcal,'noV
t,
'
.
kcal/kg' HE*T-MMkcal t'OLE-CONC-'mol
&
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
COMPONENTS
- AQUEOUS
/
/ SOLIDS
f INORGANIC
ETHYL-01 C8H10-4
STVRENE C8H8 ,'

HVOfiOGEN H2
PBOPERTIFS PENG-ROB 5THCAH F
SUBSTBEAf KIXEO TCHP-J60. W>LE-FMC ETHYL-01 1.
PRE5-1.S MOLE-FLOW-100.
'
B i
I vjnwi-*
|- laJtol |
lto.,-s ||
-WEME1
: jpCittU
FIGURE 2.16
wkjusu,jO
t f
65 DO
instructions as presented in Chapter 1

2
.
If one may wish to generate a report file (* rep)

.
for the nrp
P eSent Problem, follow the
u,
3 ASPEN PLUS SIMULATION OF A RCSTR MODEL

a CSTR accord f ' accor(lirig to the
Problem statement
The hydrogenation of aniline produces cyclohexylamine in following reaction:

C6H5NH2 + 3H2
The reactor operates at 40 bar and 120oC
CeHnNHa aniline hydrogen cyclohexylamine

,
the liquid-phase reaction, the inlet streams have the specifications shown in Table 2 1
,
.
and its volume is 1200 ft3 (75% liquid) For

.
TABLE 2.1
Reactant
Temperature (0C)
43 230
Pressure (bar)
41 41
Flow rate (kmol/hr)

45 160
Pure aniline
Pure hydrogen
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 first-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
Adding inlet and product streams and renaming

look like Figure 2.18.
models available. Among them, choose
Select the Reactors tab from the Model Litwy RCSTR
P ce it process in tn flow magr them, the
"
Q|a|B|
JJ J_J
nMfel I 1 :1 si 21 __1_L.J ni M M l
A1 ] c 8lor+. SmuWen
r OMUsnE.ulr.lSim.jl.j'i-
"
Aapn Plus
Vf
# i VSJ6
FIGURE 2.17(a)
g *apen IP= Strean Prx&hts

mnz Lines.
I Beetle, |fa Enshh ijrit |aklntill wth Medic IMi

Procws g fAs Unfa
nitpwi wi mmi
MMtajJ-V arvtr
,
Propetty I lhod; None

Bow toss crinpiif 'tee Strtom reaai
cwrpcttEfi: Mote flow
SpNtft/Chmic*
'
SUrti
FIGURE 2.17(b)
ASPEN PLUS1" SIMUIATION OF REACTOR MODELS

h W ..> 3a Hi* .<-- MMa
67
o|rf|y|giai
lg|g rj|twi<H;j 3 I ("l jajgj
I}-
tmuHt 1 Igj
gMij
gM
Wii*.
.Hi*
->
FIGURE 2.18
Hit Afe
as
' '
button and then OK and get the setup input form. The present project is titled
Simulation of the RCSTR Reactor' and the accounting information are given as AKJANA/6/ANYTHING/YOUR CHOICE* (see Figures 2.19(a) and (b)).
Jim _iJ
*! El &iMiid
I i"l
3 *I
II
-. w
t -.-.
FIGURE 2.19(a)
68
PROCESS SIMULATION AND CONTROL USING ASPEN1 M

'
Fie
On
TmH
PU
Lfrvy
Wilder-
*k>
0 Spiicfcii
l li< MBW
.
jfl IM-SHi
O CuHsfflUnli
Rovci ID
kfUCdRfMi
.
STREAMS
'
RSioc
RYwId
11 -y-Bo
REgnl RGMw RCSTfl RWjg REafch
* $3 17 1'.
FIGURE 2.19(b)
window and select
In the subsequent step, choose Setup/Report Options / Stream from the Data Browser Mole' as well as 'Mass' fraction basis (see Figure 2.20).
'
B*
E*
Mxr
CM*
Todi
ftr
PW
Uorv
AWow
hb
ajJJ iBJ J al-rlfeKKI I n>i ij J |h| a|
1 M
Cereal | Ftowiho* | Bbcf Ali j Roperty j AW |

0
.
SkW* Qnl
turn U be ndmM r, tiiMm itpoii
Jfl Ml St
P MtJa P Mcta
TFF [gENJ
T]
r Uau
P Mm
|S Standard fa0cdm>i
P S.>.:abh t
P Componerti t h (wo to-. 01 H itDon

-
f "
M- Sc*-.. | S.*n | HME
StfltW
(Bill
BV ffvuc RE.M-
RGte.
RCS1R
RPI
m j,
1 " -
FIGURE 2 20
.
ASPEN PLUS
SIMULATION OP REACTOR MODELS
-f
69
Specifying components 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 feu To* FU. Pla Uh
3 Mdiilfs-3ij bj rl
AMIUNE WyMOGEN K1T1R0G H
C6H7I11
CYCLO H EWLAMICSH13W -01
Ffesctons
Eire V/cw)
UtwCMnd
Rtttdei:
'
""'""
in
I I Sotd. | U>MMt t
Ml
RSac Brtrtj ftEqai RGfcb) flCStft RFtifl Rflaieh
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 feu VW* D liA Fj, li -f V,Wfe/. hefc
i
I
urvac
j F rm
I*
si*
| .>j3l*J<>TtQ('W -i.d"*''",l''fi'
Aipcn rim - Sani
FIGURE 2.22
70
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
m mr.i
.
inserted in the following two forms, shown in Figures 2.23(a) and (b).
ffe * '-Am Di Tol An Fix Uc**y Wnfe* 'k
mm
>. Ittieiwj nH-clalsKM!sJ 31
! HiJ21) )
J
-
i*f
j PiAiW
Strunu
fj EOVar-ittai
SIBEAMS
BGMw
BCSTH
FIGURE 2.23(a)
'
::
St Edi Mw* 0 To* An a* ifc,. whd*. Htfc
10
3 Owerti
i Jy MIXED
-
3 :iu*f..
3
-
UMFACQtsun
Zj EMMbn
ra;
ToW IT
BCSIB
fl,
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
lim
.
SIMULATION OF REACTOR MODEIiJ

B
.
71
-Vii.l.-l!,!
Sm 'mm Lbw> MrtM
II
4a
---
'
i -I
..

'-
|.if.|.iu-.| ne
p=-31 -r-3
'
I'
I..
-I
i -
ff
.
1,--.
1 J
~
J
I
j .
-
F 3
Si__-__
iir
ITXUK
r |- 9 . S . 9 Q U O
Mm fJte >-. -' -
FIGURE 2.24
Product streams have been defined with their phases (see Figure 2.25).
Ifflll
r-M-|r |T
71
'
I .ICI
Ml
I.
li:
.
-
-p
uj
llji lli*! i j I
o-
t XMUtavn I UMa III Hi | tm*mammu |
mi I Ma I iMHwk j
I1XJM
m 0 . 8 . o y JE D
IMMI Ptmt hm. unit TVl ggg
0>W a< <
FIGURE 2.25
Press Afexf button or click on Reactions and get the window (as shown in Figure 2.26).
ASPEN PI-US
lim
.
SIMULATION OF REACTOR MODEIiJ

B
.
71
-Vii.l.-l!,!
Sm 'mm Lbw> MrtM
II
4a
---
'
i -I
..

'-
|.if.|.iu-.| ne
p=-31 -r-3
'
I'
I..
-I
i -
ff
.
1,--.
1 J
~
J
I
j .
-
F 3
Si__-__
iir
ITXUK
r |- 9 . S . 9 Q U O
Mm fJte >-. -' -
FIGURE 2.24
Product streams have been defined with their phases (see Figure 2.25).
Ifflll
r-M-|r |T
71
'
I .ICI
Ml
I.
li:
.
-
-p
uj
llji lli*! i j I
o-
t XMUtavn I UMa III Hi | tm*mammu |
mi I Ma I iMHwk j
I1XJM
m 0 . 8 . o y JE D
IMMI Ptmt hm. unit TVl ggg
0>W a< <
FIGURE 2.25
Press Afexf button or click on Reactions and get the window (as shown in Figure 2.26).
72
PROCESS SIMULATION AND CONTROL USING ASPEN"

I UtaftCSTRflCCTn i
Ed*
DKB
_
Tooit
ftr
Pta
IJfewy Wirvis
Hdp
fe|ej
rgklaKKM
"I
! I"l J JJ J l
JJ
,
i 1 i HT
I leal; I M Hi
Setup
Solsd .e
rWft af Studio
ion Mlt lo be nciideii n ihs
Arabia iclw wU
i SriBctedttwc'cn'-
MvanMd
a h
.
11
Bocta
-
C5TR
e s-up
(J EOVsnai> O EOhpu O Spc GfWJpt

Pott Peaili
-
leschon E3 ID
ii
[1 "
-
MiMMiyS{ter9 | SpaUi ] He*E hangefi j Coluwij Heoclou j Preiwe Changeii ] MfloipUaloft | Sf** | UiwH&Wi |
REeril RGtb!
fiCSTR
a->
RPbg
Mated \
STREAMS
C \ fl FtAJerj'Aweo Piu) 11 i
'
HUM
fi Ofttce Woni j
f-toggft Pcwergjrt . l . j
MjCe toX>< frofett f [
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 finally 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/Satm/Ba ljont] PSD j CwvwMAm [

S dect (sacbcn tw to t ndudsd r nwdel
j Pwwt/Henccs
LJ
"
Mdecwer Su-me
J
_
j Data
i
_
V) ftco-S*:
'
i o l
-
Jfl H
csrn
'
9 SpGto*i
H SbeenRMub ,
<0 s s s o
O
LJ.
FIGURE 2.27
ASPEN PLUS
73

Hitting Next knob, we obtain the screen, shown in Figure 2.28.
ul.i
**
cm
<%*
fw
-.>=-
**
| SiMMt | HewE h-vjpr | a m- Rm om { Praiiu,Charge.! | Ha |
I UmiH<mM |
i - s - ..moSTfttAKS RStoc 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 feiej *l nrMfcl-NM '!

_ _
1
I
I H -I l?l
|gl
1 |
f~
l-.l. li IT
! -lEI
Caw**
1 CMtft** 1 f.t
*
*
Cowrt
Co o*
[ r.i.-' |
_
M.
iifitw4i
hB- 0 . i . 0
f.4M BfJ
1 1
Km wifl
ft j A J "
*r**:wi-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
aniline
Coefficient
-
Exponent
1
1
hydrogen cyclohexylamine
3
1
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
RuctMi -
3
Coeficient
1
.
Reaction type:
Product!
Comnonent
ANILINE
-
Enponent
CompafieW
CYCLO-01
Coelficient 1
Ej<ponent
j ;
j *
1 i
IYDR0GEN
Ctote
Bock,
y Reactiom r J Chemolry
B 1 Peacuons
Edt
Delete
ft
R-I
Convefgcnce
fj Rowaheetng Onions
.r
Reojrad tipul hcowMe
IT
KWariel STREAMS
Mam pKen | Sepaators | HeatEndiangen | Cokams Haachm | PtenueOiaven ]
SoUt
UnModeb
1.0 .y-U-URSIoic
RYieU
HMj
RStb.
RCStfl
BPIm
Rieldi
"
ForHefc weMfl
.
!C\i,fi*ta.vWiHi.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.
ASPEN PLUS
75
PHPI Liasigl
.
if?:.
3aft l"-"
JSldilJP
BiiJfllalfil
j am
I
-
0-.
1 <
- .IW 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|
| Gh-t ml
3alt:
-
l*l <<Jp
1.-.,.
'
jfl
-
9 9 .
t into mn*&*B**n*
t
ta
3
.
. *
jfl . -
P '
jfl
.m*
Vm
m t>
mam
>ew*
r
. .
KIT
FIGURE 2.32
76
PROCESS SIMULATION AND CONTROL USING SPEN]

As directed in the problem statement, we use
'Molarity
'
basis. Accordingly, the
Power law is expressed as:

n
E n
exp
r= k
[T0;
(2.1)
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:
,
r= kT
where,
E
exp
n(G)
(2.2)
RT
K = kTn exp
(2.3)
RT
In most of our simple cases, the reaction rate constant is represented by the Arrhenius
law, that is
K - k exp
E N
RT)
,
(2.4)
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
.
Notice that when the Arrhenius formula is used
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
.
the example CSTR problem

important to mention that the pre-exponential factor must be specified in SI unit. For
,
as 5 x 105 m3/kmol s and 20 000 Btu/lbmol respectively (see Figure 2.33).

,
the pre-exponential factor and activation energy are given
mputs are now complete Hitting Next Control Panel (see Figure 2 34).
. .
In the window shown in Figure 2 33, the Status bar clearly indicates that all required
.
knob and clicking on OK
we have the foUowing
ASPEN PLUS
..

mam
77
._
-J . Pte Un* OMn m,
QMIHI -I .1
I r l-'l-'l-JV
"
gJ al-i-|>l*l<l*-| n.|
.
l .lalr : I: Ml
3
ANIUNE . 3 HYDROGEN -i CYaO-Cl
LMMMto twite
csm
ll
US
a-i
*
Kdlarai."
stream
farHsfe.pnMn
| igiM
afc. .| gdifcCT,fi
.. | g aita
11
.arote. || S
fSTI- 45.}
.s
FIGURE 2.33
Ffc
Dm Taofai Run Lfesry Wirdiw KHp
DMB| al M -H x?! nklaKI I I >| IS -I H g|-|3| @|; 1 1- i,JV -Hal JJ iLWjilSla)

" ,
-
5
@ CSTPJ
oxputatich carsB
rsi
Bick.- csra
uc tai.
rcstr
fV
MitoJ
.
RStM
..
j Sepa(> i HwlE-changer. [ Cokm* Hb1o | Pte eChsr rt | M npuWw: | StJd; 1 UiwModel: |

fffxM REquJ RCiibOi BC5TR B Jg ftSalch
..
SIflEAMS
fo K o
FIGURE 2.34
Viewing results
In the next
left and finally get the results shown in Figure 2.35 in a tabulated form.
select Solver Settings, choose figsuto Summary/Sf ms in the list on the
78

B Ebl V- D*. TMi. Hun fW ijt MiiM m
J4JJ
I f
I I i PT
"
! .leal I i I i
I - Ml tM i
"
3 '-"
l
-
il
am
il
1000 0541 05
nil 1
MUM
-
nooo
0J30
0 001
mmmi
tso 601
1
ITTre
DOM
'
0J
sm
MPPM 0 98)
nr
R&tac RVWd
to*
| HuiE*w> ! C<*jwi fl-ctet. | FYB.M.Change..
i | UisrWodeU |
i -1 .QMi-O'
SEgJ HQtei RCSIR RPfaa RftWi
3 tecofQB.c .jjJ Hereto 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
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).
...
...
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.
80
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
flYfc)
WJ
RCte
RCSTR
RBtfd<
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* ftj> Uonn WnSo* H*
r|ttF..U|-. -nr
Nsi|--..| -MBi
IN
>|[T><rr|
h~o
I*
-
-****** | fM. t hmI- mw | c*- iu I rM..1,o,
'
S'W
iS- SSI Gj
' BS* FTiMd ftc nstfa. HCSTB
flfy
q.
,
Tftj T
FIGURE 2 39
.
ASPEN PLUS
81
At this moment, we are sure that the process flow diagram is drawn correctly
message
.
The Status
directs us to provide the input information. Hitting Next knob and clicking on
(AKJANA/7/ANYTHING/AS YOU WANT) and Report Options [see Figures 2.40(a) to (c)]
nroject (Simulation of the RPlug Model), followed by the accounting information

.
OK, we obtain a form for setup specifications. First we input the Title of the present
3Sif*r-~3 *m si
ISrolWoneilheHPVjgMocW
I >>i fliai g
Vdd|*MMC
o->
'
SIKAMS
HSteic
tVM
myt
i s u -= u
RG|tte. 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 HulEchv4i | Cot-mi. flo'" | PimmCW
hB- 1 -1 - 8 Q
SIRLWi
__
O
Hf''-.
gMdiM-AiMf But " I
"
fl5ia
R.'*
RfrMl
RGfaU;
W Iff
'
FIGURE 2.40(b)
82
dmbl
Melm mbhjsM!] 21 g
r mi
r SM
K C
twwrH 4i , flow W 'IK
O-S-0 y
FIGURE 2.40(c)
From the Data Browser, select Specifications 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 Di Tat* ftji RsT Ihwf ffntotr Hife
IMM
cia<io
FvmU,
j r<rCwwi
SET
r* rg '. Bin
"
kW 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).
ASPEN PLUS

tmum
83
3 I I I
1 I
is
.
3
d 3
"~
r.
ETREAfce
ftStac
FTV dd
SEtMl
RCSTS
RPljg
flgateh
FIGURE 2.42
Specifying stream information In the left 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
State vsmUm
"
3
"
|12SJ
|f
3 3
3r
"
1-5
UH**C i3rtu
|p.
(m.,jbmot/N
d
3 3
H2
Toid flwr
|0 02
Miinii
Tdat IT
"
Hoi 'jmvUf t
.
'
i-1 . . u-i j
i*
Rfrfi
be j
note
ncsm
npijg
ma
FIGURE 2.43
84
In the next, select PFR by opening the Blocks folder The reactor is specified in the
.
window, shown in Figure 2.44

i Wl ftfl P*l
Lb try Wn
Jill
r-.i:i i nr
IMMM
'
J Ntw QuwclWMldn
'
J/j
Prcf n
> -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 ttm 043 Tuafc flun fVK tbwy Wndm H*
Ma
DlcglBl
1 M iteial *l uW\&\**\<\vi n>| Hi
! |Mi H i?i :H
/- itarj
36
DwtmUt
06
-J
PAttwn
?cp(rtif Veered
| Sohk | Um> Modab |
a is q-u
'
RStot
Rrail
flE<M
Wite'
BCS'R
Bp
HUM
FIGURE 2.45
ASPEN PLUS
85
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
M *" D* ** "rw*
'
Figure 2.46.
r
'
i)
22
SIR>M$
H-1 j . I y
' HStac ffiW RCqU RGtti
RCSTR
fiB
a
BB*J>
FIGURE 2.46
Hitting Aforf 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'
R 1
ii
0 S 0
1J
-
a .a
FIGURE 2.47(a)
86

HI l
D|tf|y|
I I
<l aHM-KM
! |h| -i ~ij j
05
_2=J
j i
3-1-0 o =u
RE R6ife 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' from the Reaction
No. list. Enter '2; for the reverse reaction

3| |B| JJ Mgl jgl nklaNUI I n-i 3
_ .
QHe
LliiJ
C H + H2) and click OK (see Figure 2 48).

.
ff falaltfrfi
.1 ilBl: I
r
si
El
|-
Oeate a nm Redcton No
PR
R-t
i'RaUS
Fa-Htfc mm FI
nS>
tMM
BCtM
Cir.-,.;
I"..-.., ft Gbb.
-.n RCSTf t n
""
RFVp
" "~
IS
-
'-
---
II
*pf\-ai
FIGURE 2 48
.
the screen,
Subsequently provide the stoichiometric coeficients along with ex ponents,

shown in Figure 2 49.
.
and get
ASPEN PLUS
iViirtiT.r
SIMUIATION OF REACTOR MODELS

433
87
n-i
1.1
nr
i ,ieii
mi *m
i;
71 am*. | CJk-< | [(on
CI.X'6
>
'
wi
[1
_i5Lj
jjWM
REaJ
gg]
HCs
flft
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
Knc
j MHnnd
I Sehdt I Ui*MJrt )
E .11
,.
*
1r
ff/ id he j* newftCMn flrv Rnth
61 bio's
' fif.ioc
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 >
r = k
E ri
exp
To
(2.5)
,
where 18 replaced by:

,
P represents the partial pressure (N/m2). If fo is not specified, the above equation
88

r= kTn exp
RT,
mPif1
2 6)
.
For the prescribed reactions, values of the pre-exponential factor and activation energy 2
are provided in the two forms, shown in Figures 51(a) and (b). To apply the Arrhenius law, we put zero for temperature exponent n and left the box, allotted for datum
.
temperature T0, empty.

if.i
I r
as
mi r
1
! .isi; I - IB!
"
[i) cfwe-. sciwio.
E
ill
ai F PR
Si Bacfa
i
* a ?
0 R-1
StflEfiMS
RSI
ffrteM
REqui
Rtjfcto
RCSTFI
RPVJ5
RBVch
FIGURE 2.51(a)
.
. Ea , 0, r i, a .
-
' .
r u>i-i rr
"
'i-.joii
|-l l|Ii
.
HMfcl""
(31 50*10. 5m;
3 >>l Dj J n.|
C6M6
a i
KiMteldaNUT/T>>|"*'(E<n|m'l/TB|
i a *******
SfBtMK
' BStet
R>wto
Rt
8 i 0
fjfl
,
a
.
I Mill
"
11
Lin
FIGURE 2 51(b)
ASPKN PLUS
89
Hitting Afet button and running the simulation, we obtain the Control Panel (Figure 2.52) showing the progress of the present simulation. r
i r-i I ! f
'
_
-i-igi
w aisd
(0 9 S 8 O = U
M t<< Of*
FIGURE 2.52
(a) Viewing results: Click on Solver Settings knob, choose Results Summary/ Streams in the column at the left side and inally obtain the results for all streams, shown in Figure 2.53. f
I r-i-i -rf7
'i -Hi i in i*l
"
a
IUWi
4 1-
S
-
1 -m
"
tm-1
noim
TW
*m
-
"
sub-
aaraocc-
veL
(stcsss:
rwm
ROT
-
Ml
Mr
oi TWI
M
I -
I Ml
inuA
mm
mm
mik
--
-I *
I-
FIGURE 2.53
ll
90
(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
in: . Fte Wi &*l V* V*t C# C# roe* Toe*
-.
Hji H i
..l1.T71.
pw PW Ltmv L*f7
>
"
Dloi|y|
I -.1 EtelBl
d H H I"!
li
ifl
Pt >wt
P.OC..I Sbe. I
it
-
ft aa 9um
-
a pf
pn
_
e v.
Utt Sutra.
bt
f] nwdb
;
.
!S
IS
fariHo
TZZf&VS
15
r?55
sSiTFW
00001 u*?
"
4
s !5
a 9fM- p
A m RNdm QniMgra
-
Z'
m
i55S
lb
i*
15
IS
last
[ri!DK4IIft
g LSiQFM,
it.
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
if/ t** Ocw
IJ
jlE
E
ft Fa*
24
ir
-
ii
IE
9 a EOCor-Ortcm
fj
LSSOPBu
51 REAMS
1 HSbe
HVMJ
REcU
i . i y=o
ROttx
FIGURE 2 55
.
Click on Next icon and get a variety of plots (see
Figure 2 56).
.
ASI'KN PLUS

MM
91
pi-eniajaaisi
a
---
=i r. -i ht
a3f j
3fif* I t
3 4321 iiB1
3iil 3t J Id
I
a tfmm i
9 -
m
n
N 1 1
f
-
17
n ri n
<
R 1
(
H 1
iTmao
Nftj
mfc
<
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
fi
ita.l
3 id JP-3a -''ail -i
. -
io j m a Bin
a -
3S
v- I
i-*
3 '-
'
{ 9 . i 0 Q -O'
>
mm
"tj~
mm
m>
mm
FIGURE 2.57
Again click on Next and get the form, shown in Figure 2.58.
92
I mim 1?! r3l-<-lfcl<.UM "-I H _jLH jd JEl
V)
- ,
PlOCBU SUUM j
i
.
iJ PHI
,.
f''V.I
fi
-1
I
.
5r
i
.
{ t
CIS-
ri
_
Cvitl
'Sack
ir
CH
RYaM
si y
TlSitd mt* SCS?fl BWug
u
BflWch
STREWS
1 j-
9 -B-
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 toivj ipi al-nal-KI I"! Its
I M .l lal yj
Block PFfi Cemmin
| Xnxan. | Sou | u>Mod> |
si u=u
STROIMS
'
RS'jc
" '
HTot)
8M,
Qg
RGtfc,
ftCSIR
ftFy
111 *
FIGURE 2.59
Note that the plot window can be edited by right clicking on that window and
font and colour of the plot Alternatively, double-click on the different elements of the
.
selecting Properties In the properties window

.
the user can modify the title, axis scale,
plot and modify them as we like to improve the presentation and clarity.
ASPEN PLUS
SIMULATION OK KKACTOR MOOEI
93
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. f
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 LangmuirHinshelwood-Hougen-Watson (LHHW) kinetic model, set zero for all coeficients under Term 1 and that for all coeficients except A under Term 2. Take a very large negative value for coeficient 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=flHJ-J-Lag Pl-W i-H=J Tl f
I I I 'IW *l
-I
**mmm*mH
MM
FIGURE 2.60
94
In the next, select General with Metric Units and again hit OK button (see Figure 2.61)
pea
An
IPE a-wm ftcpwl*

'
Penmen
<*-Sxar Mair>
1
"
11
'
'C*
'
FIGURE 2.61
As the Connect to Engine dialog pops up

Creating flowsheet
click OK.
From the Model Library toolbar we have selected RPlug reactor and developed the
,
process flow diagram as displayed in Figure 2.62

He & 3an Tocfc fir FW mI Jyr, WnSe* Htfc
Qi lHI aiai
|a| yj nl-i-iaKKi i w.| 3

I Mi
i ii<j
_
j 3 _j
rlttF-I l- l PT
igl
s,flt
M
awif-
H8- S . 8 - <S SL QU U zzz rsr izf

~ -
FIGURE 2.62
ASPEN PLUS"1 SIMULATION OK REACTOR MODELS Configuring settings
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.
'
LU.
Ml
o . 6 onu
mt >>.
FIGURE 2.63(a)
I'HIM
'
XM
-i..
FIGURE 2.63(b)
Gopyngt-
96

ttn fci VV* CMi teds FLn Pw lirat, VAmtow
3ip
o|a!|ai I I tfeiel 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
ti-n to hi NAKtad W
FkMbM
hi--- 'i
P Hde
T Mm.
PM*
P
TFf, IGEN M
.
P Cwowit nih IWO ib- I'KUjn
SI REAMS PStoc fefHeb pcufl
frririi
REqal
ft6tU
RCSIR
RFV)
~
BSatc
CV flFoldenXAaDerPlB 1- 1 NUH : -r irt- rt.- r tr.-arpt-i
FIGURE 2.63(c)
Select Specifications 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.
.
fle EJI Wen On tim ft* Put Utray Vfrifcw to
1 f
i i-i- r 3 M i
"
jiAm \ m nJ -3 l Qj -.1 *!
Tim
3 S-L* O SfamOM*
tCEIO-JE itENE
SottTSe
KEIENE
)3<roi
bHJO
$ apm)
stficwi
wiac
ff
Pfcu
8 . 1 -y-lE-U
ns tu
'
ncsTp
FIGURE 2.64

Hit Afort button and in property method (see Figure 2.65), scroll down to get SYSOPO
ASPEN PLUS
SIMULATION OF REACTOR MODEI.S

JtUI
97
l r Ll_L_F
_
-iCI
! !
9 "w-cwr.
la
mr'iiir
(0- 0 I
t*
: I jn Uia ).
FIGURE 2.65
Specifying stream information In the left 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. f
I.UH
-
3
I
'
i--r
--
figs?
g M
I--... I
'-
I'*
f|7
.
i iT
I- 0 . i . 8 OMU
gjfc ani ggi
FIGURE 2.66
ASPEN PLUS
SIMULATION OF REACTOR MODEI.S

JtUI
97
l r Ll_L_F
_
-iCI
! !
9 "w-cwr.
la
mr'iiir
(0- 0 I
t*
: I jn Uia ).
FIGURE 2.65
Specifying stream information In the left 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. f
I.UH
-
3
I
'
i--r
--
figs?
g M
I--... I
'-
I'*
f|7
.
i iT
I- 0 . i . 8 OMU
gjfc ani ggi
FIGURE 2.66
98
In the subsequent step (see Figure 2.67), select PFR under Blocks folder. Specify the
reactor as an adiabatic one.
313
_
ffc
Ed
We*
Oto
Ta*
Rn
Rot
lisrary
VAnJo*
He*
OUIHI
I I itelal i?l rsK aft I
NKiH '| 3
UjiJ _J ii
-il SI
3 hJiii(s
i KSS
ulwCcr/gi/Wcr. |wRtK(nni| Pitt*** j
J AM H
J y c
.
_
9MM
-
Jfl F
O
|
~
BUM*:
3;-* Ctro' = 41111) Mta
O EOrw
-J
STREAMS
RVaM
60*
BEqut
8 i US IJ
RGhta
BCSTfl
. .
SPlup
HBateft
C ' g Foktect- apen FVi il l :
HUM
fW Ki rtsi muc
r;;acfefZ-M!S
j - jj
tii
'
ftoM } }LladuTtfi5-
.'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
"
36 J6
ta SM
StMrtl
f
3i
"
rj f
& ftdta
PnAn
f a 0
D
EOVw-b*.
EOmpJ
SWMlttf I HtHEttl
-
D-*
iisi (
RSlac frtM
StflE*MS
M*A
i -1 -o-n-oRBto PCSTR
FIGURE 2.68
R-l
In the next we define a reaction set for the present simulation The default name is ok Then select LHHW kinetics and obtain the screen exhibited in Figure 2.69.
,
. .
ASPEN PUJSTM SIMULATION OF REACTOR MODELS
99
W-l-K-l..
a .
(@- 0 g g u a u
1 . WW -GHi-' 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 coefficients to 1 (see Figure 2.70).
'
r.:i..i-u rr
.
*.Ml'
mi-*ifc|
1
-
2 roK-.
.
I*
-
<@ S 8 Q0
*a>. 'mh gi
inMt
FIGURE 2.70
100
PROCESS SIMULATION ANnjWQlOLUSING
ASPEN'
e
Hitting on Next and clicking Kinetic button, we get Aeldn ics input form. A littl 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 =
(adsorption expression)
(2 1)
.
The kinetic factor (reaction rate constant) has the following form:
n
E
exp
'
1 >
K = k
To)
(2.8)
If Tq is ignored, Eq. (2.3) replaces the above expression.

used in Eq. (2.8) have been defined earlier. The driving force is expressed by:
f N A
Note that all the notations
n c?
and the adsorption is modelled as:

M
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 when [CJ basis is selected as molarity the concentration term represents the component molar concentration (kmol/m3); similarly when [CJ basis is partial
.
for example
pressure, the concentration term represents the component partial pressure (N/m2).
reactants,
term menu Since the given reaction is first-order with respect to acetone no second term enter zero for all exponents and coefficients Owing to
.
problem statement (see Figure 2 73). In the subsequent step (see Figure 2.74), select Term 2' from the pulldown Enter
.
Select 'Term 1' and then 'Molarity' as [CJ basis Under Concentration exponents for 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
.
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.
, , ,
and there is the method Aspen Plus uses to specify a reaction, we should insert a very large negative value for
,
.
coetticient A (say
.
-106)
on Next icon
to make Term 2 essentially zero [see Eq (2 9)1 Finally click

n.
,
ASPEN PLUS
101
t*
0m
Om
Tai
.av*
VMw
L T
-
I I 'i r-i
3
-~
-I -lei
!!
j
O
-
ii w
'm<iaii '
j9
i
*
Zj
lUlllll cuM. j f
am i(t/Tf
J
.
Zj j f
-
a *. .
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
I Mk |
- --
WB.
B'Mt
'CM
Wto.
"lac*-
FIGURE 2.72
ASPEN PLUS
101
t*
0m
Om
Tai
.av*
VMw
L T
-
I I 'i r-i
3
-~
-I -lei
!!
j
O
-
ii w
'm<iaii '
j9
i
*
Zj
lUlllll cuM. j f
am i(t/Tf
J
.
Zj j f
-
a *. .
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
I Mk |
- --
WB.
B'Mt
'CM
Wto.
"lac*-
FIGURE 2.72
102
j
-
[-EETEEXSC
Idlbsw I
'.D- o-xr'
feis
ep
BEoJ
AG**!
FIGURE 2.73
Rwcaigthsai
Hi
.
jVapm
ErteHtrm
t(*clartr
[lrm2
a
_
0
)
Expowii
.
lJ
u
_
Data
a
.
SbMM
F
.
PFS
Ml
r' . u
SeeHflte
co(W,c*1t A
21 - i f/fT tewrddning low* Jm Ln(ccr.;fanl .
"
lj
Omttry
G
.
_
Ci ytw tyw fivaln enerw 'a t
Jn
poww law wpittWin
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 right
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 I -i
1
r[., ....
el
fami
iffan r rzw
BTTiW
____
ST
ur
'
I'M
Tivi
'
ii
M- Q . S . U S U
Wii TMl-
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 esterification 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. 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
2 3 Simulate the reactor (Problem 2.1) for the case of an RGibbs model.
.
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
2
SIMULATION OK REACTOR MODELS
105
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 property method and assume the following component-wise low rates in the feed and product streams (see Table 2.3).
TABLE 2.3
Component
di-tert-hntyl peroxide
ethane
acetone
Feed flow rate (kg/hr)

26.321
0 301
.
Product flow rate (kg/hr)

1 949
.
5 314
.
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 property method, simulate the reactor model and report the compositions of the product
streams.
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
5 atm. The reactor is operated isothermally at inlet temperature. The kinetic data for the LHHW model are given below (Fogler, 2005).
5
.
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
106
In the CSTR model, ketene is decomposed producing carbon monoxide and

ethylene gas.
K
'
CH2CO-> CO + 0.5 C2H4

where,
,
15
.
rk = K
K=
'
26586
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
,
3rd ed.. New Delhi
H. Scott (2005), Elements of Chemical Reaction Engineering

.
Prentice-Hall of India
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 categories,
several model configurations are available. Note that Extract model is used for liquidliquid 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 specified number of
stages or the actual number of stages for the specified reflux 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 overflow
and relative volatilities.
Distl model includes a single feed and two products, and assumes constant molar
overflow and relative volatilities. It uses Edmister approach to calculate product

composition. We need to specify a number of stages, e.g. feed location, reflux 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. RadFrac is a rigorous fractionating column model that can handle any number of feeds as well as side draws. It has a wide variety of appUcations, such as absorption,
stripping, 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
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
vacuum distillation unit (VDU).
It is used to model refinery columns, such as atmospheric distillation unit (ADU) and
PetroFrac is commonly employed to fractionate a petroleum feed. This rigorous model simulates the refinery columns, such as ADU, VDU, fluidized-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
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 reflux ratio, actual reflux ratio minimum number of stages actual number of stages, and
.
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
! 1-1
gj J
I ' l-l-l I- 1 1
FIGURE 3.1
Select General with English Units as the next window appears (see Figure 3.2).
MM
-
4./
Hi .
...
mm
...
__
FIGURE 3.2
aterial
110
T,ocal
Again press OK to see the Connect to Engine dialog (see Figure 3.3). Here we choose PC by scrolling down. Hit OK knob and move on to develop the process flow diagram
.
Connect to Engine
Server type:
User Info Node name:
User name:
Password:
Working directory:
Save as Default Connection
OK
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
locii Rfi Rewhart
Ltrary Wxto- Hfc>
Model Library toolbar

StftEAMS 1 DiTVU Ci-J RfEjJikI M tfug Sffru PWtrf.te RurfBwctfi -
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 f

or ight-click on the lowsheet background. By default, the column is named as Bl r
(see Figure 3.5).
i\n 'amiami I
Hi
tM
Dn
<oaa
'hr
nrann
lw
Dfagyai aial id g] aififci K!--! "i

r|rrFf,.|..|..h HT 'MPl I
i |m| ! v\ *\
Bl -fW
UJ
_ -
iT
CH
' DIIMI Out "*l<m 1M MtfMi IW l*. ..
AM ru- MMC*
"SAW.
c-.i
C- a'aMAcwi a IM
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
112

He EA V* data Tooti Rr. FtowtfiM Ut-av Wtxfaw Hto
rlRFi-|...httt lT
irol
I - lal
1
~
&
Ul
filf
STREAMS
.
Mewt/SpUeu 1 Stpaatai | HwlEMhangwt Criumn* j ReKloit | PrwawOiangsi | MsripuWwi | SoW | UMtMwWt j
' DSTWU Dntl
Book
J
SCFiac PeOoFi Ratrf.ac BWchFiac
Rrfisc
EntisO
rflOflCfcrJ-
Mutftw;
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 ftehi Uxsy Wndm. H-t
MiBl alal
lei
1 ni-rlftl Nkl H li! -
STREAMS
'
.
'
DSVM
Rrf(e
E**d .. , -
MtAffc
SCfttc
PMcfiae
RjuF.ic ~r
Eatctfr 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 software, 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
c-Q-
Dpr, rce rout to**'
HmnnUBmt | VwMdi | HMUOwpn
fil
| Rmckb | Pm*j*0Bi | MariMn | iota | UwMolM
STRUMS
' DSrwU
Pit
Wi we
1*1
tOit
WtwT
Warfwe
jtjjjg
| *,0-H- Wot I tJO
t ttoM I <]OmH1 Mnw |aj<iOtto ||

FIGURE 3.8
AvxfV
S~
Ql'f. t*9t
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).
114

Sid
oltflBl A t Nel tfl rahclfc l lwl n J 21 JiJilJ zJ 2l J 1 rv 'I -ipi i w L r i-i

_ _
I "'M'.
SintMC
'
WIMAJ
Cxi
Brf.K
MiJtfue
5Ct'c
Pk. i
ftttrfii
Brf.f:
FIGURE 3.9
3Mbl
JMlJiilF
Bid LJ
J Ww
i (Mi
"
= 3 EOCsn.Cn
'*
,
7 '*"'
""I
1 -TO- I Mrow<w I Sold: t UtvUaMt (
FIGURE 3 10
.
some installations) are given in the following way.

User name: AKJANA
Account number: 9
In the next (see Figure 3 11) the Aspen Plus accounting information (required
.
Project ID: ANY ID Project name: YOU CHOOSE
ASPEN PLUS'" SIMUI-ATION OF DISTILLATION MODELS
115
l\
I r",
'
3f
a) -.
a mi
5!
) MB I - - I
1 nlVI
(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
P <*
' i PBS
.* luiTi
.*>*>
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 Tii ft*. PW tto
HHP
J
ComiKifun" WTO FamO)
Caww*iD
.
5 Drill-id!
Uyr-End Pmpoti
rHudocariiMW
ti
aeehi
iO II SiiKi ait to tr rMneved Itom dsiatw* J. erte<
C<m(rt<*fK Haw f om-ia SteHdp
[if
Mtw SpUen | Sp* | HealEttJiWBen Cohmnt } flwcto 1 P-essueO owt | MwpuWWi | Sate | UraMW. j
Drti ErtaO
Mutfrac
'
STREAMS 1 OSTWJ Sr*,B.ft
U *
PatftFi
-
? Rahjiac
BalchFrae
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 filled out by the user. A Component ID is essentially an alias for a component It is sufficient 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
,
mateh in
lt}lhrATyin *er words

T86 fj!?
f T haPPen' * that AsPen Plu to find an eXaCt APen Plus does not recognize the components by
0 0 Search the components Select the components from
'
.
detaiIs See the solution aPProach Subsectiri 3 COmPonent hane and ethylene, as thefr 6 0f (see lfir fo (see Figure 3.14). The otherT three columns have been automatically filled out.
'
in
IDs
Pron l i 2cations in the left pane of the Data Browser window Propernes/Specif
'
tZSlTjiT
j11'1!!?68 I?0118 meth0ds *** mod to compute the phy 0ht th? Pr0Perty input f0rm er hit Next icon or choos
.
Set RK-Soave
property method by scrolling down (see Figure 3.15).
ASPEN PLUS
SIMULATION OK DISTILLATION MODELS

..i-j ;
117
3 .
FIGURE 3.14
3S3
Plata l I wi Qb3Mslllid5d 3 I r-l I..|-f7 .: .id !

zsjti
' -It
-3l alig|g|
Dld
BS aJ
-
FIGURE 3.15
The Streams /F/Input / Specifications sheet appears with the Data Browser menu tree in the left 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

Ffe til '. Tut. Teal, r-m FW limy Wr*
H*
ASPEN'
i r - I .i-l rv
. j
J-Igl
M.
mm m
J PltKTMM
-
21
a) enjr,hcaa
:
r
|pmtu
;
f
-
THWIE
-
RK6'J1
nrtxu i
ri
m i
UNKK Owe-
rj um(KO j>(
111'
if
5TRJWS
1 DSTWU
< -
MJflK
SCFlK
PWoF
E.- --"
B-r*f,-
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 tata
Took
fe>
FM
Ltrary
M*km
-i*
3Mi
.
J/) sT*r. MhoC
] EOOpbora |
Conmotnon
, - .-
h
|Pinio
RXSBU-1 RKTKUI
| Mole f-*:
3r
IS
04
Corrconan
-
[is
Q E*anM*To-is
1J .
.
_
.w
lew [T
ll
~*
SIB6W6
: bStWU
i
J-
.
2l
FIGURE 3 17
.
i t under Blocks folder. As a result. t Sfn aw DianK block input form is displayed (see Figure 3.18).
ASPEN PLUS
119
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'
,,
--
FIGURE 3.19
CopynghlGd material
ASPEN PLUS
119
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'
,,
--
FIGURE 3.19
CopynghlGd material
120
PROCESS SIMULATION AND CONTROL USING ASPKN'
The Status message includes Required Input Complete indicating that we are in a positio to run the simulation. Simply press Next button and receive a message regarding th
present status (see Figure 3.20).
fiT
TTJ
Jj UkifIC Gkc
[30
KiHictoipooert
jgi i Cm*
fioW
I ]300
s*.
Com
[ETMYLEHE
Smm
itjucioMtiTCienpu Totftw- x*npu fccC*wM tt*n
flBMy: [0 0C1
E0VMblw
_ -
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 Efe
to T* An iMy -AWto*
-
H*
]ajiJ ill w| KHIMKI h>\ 0 >Nh| *i lacal
*bs
atrsitrro rkx sot iabli
taw
EH
HUM
fit -. 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
f
ibi
HMtf mutt
WIWW
(M
fMF(
iMMO
*fik
SOik
i*rfi
HH-'Ifci
'*.
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 reflux 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 ile whatever we like. Remember that a backup ile (*.bkp) takes much less space than
a normal Aspen Plus documents ile (*.apw). Viewing input summary f
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 material
122

dim
-
i 'j-i
.
r..|-M= IT
-i .iai,
ibi
i a SH
r
-
1S?497652 3*J12.;3
-
Br.il.
f
ifM IM|NMM
0399
HE IP
STREAMS
'
DSmj
OaK
Hrf.K
F M
HJtfiflC
SCR
PeMFmc
Wtfwc
BteW,*
sti| s
I Oa
j-WWtW
Awcn PIl - Static
G9
FIGURE 3.23
lalxt
'
Edi
Font
\kB
'
.
Directory c:\Pr09ran f nes'.Aspenrechvworklng foIi working FoldersVupen plus 11.1

.
irpuc SuwMry creicd by Aspen Plus Bel. 11
at 10:15:40 Tho
Jol
12,
2007
Fllenw c :\users\4kjana\AppMt\Local\Tep- ap6336. trt

~
[TITLE
'SinulatiorL of 3 Shortcut Cist Illation column'

EPXC
I-UNITS
Ikf-STREjWS COMVEW ALL
bescfiiPTiON 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 . OlOOMOfriJO

BPVAL ETMYLENE ETHANE
iTREW F
. .
.0100000000
S085TREt fIXEO TEKP"' 5. PRES-1S t0LE-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
or WordPad or Notepad. For the present problem, the final report is shown
through My Computer and finally using a program, such as the Microsoft Office Wor
below.
Plus Version/ DSTWU.rep). In the next, open the saved report file (DSTWU.rep) going d
ASPEN PLUS
ASPEN PLUS IS A TRADEMARK OF

HOTLINE: U S A 888/996-7001
. . .
123
ASPEN TECHNOLOGY, INC.

TEN CANAL PARK
EUROPE (32) 2/724-0100
CAMBRIDGE, MASSACHUSETTS 02141

617/949-1000 PLATFORM: WIN32 VERSION: 11.1 Buiid 192 INSTALLATION: TEAM EAT
.
JULY 12. 2007 THURSDAY 12:07:22 P.M. VER: 11.1 07/12/2007 PAGE I
ASPEN PLUS PLAT:
WIN32
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. CONTRACTOR/SUBCONTRACTOR; ASPEN TECHNOLOGY. INC. TEN CANAL PARK. CAMBRIDGE. MA 02141.
TABLE OF CONTENTS RUN CONTROL SECTION RUN CONTROL INFORMATION DESCRIPTION FLOWSHEET SECTION FLOWSHEET CONNECTIVITY BY STREAMS FLOWSHEET CONNECTIVITY BY BLOCKS..
2
2
2
OVERALL FLOWSHEET BALANCE PHYSICAL PROPERTIES SECTION COMPONENTS U-O-S BLOCK SECTION BLOCK: DSTWU MODEL: DSTWU STREAM SECTION EOF
PRORT.RM STATUS RfTnTION ninr,K STATUS
2
2
3 3
i
5
5
ASPEN PLUS PLAT-WIN32
VER- 11 1
07/19/9007
PAGF/1
SIMULATION OF A SHORTniTT DISTTT.T.ATION COLUMN
RUN CONTROL SECTION
124
RUN CONTROL INFORMATION
THIS COPY OF ASPEN PLUS LICENSED TO

TYPE OF RUN: NEW INPUT FILE NAME:
00341ji.inm
_
OUTPUT PROBLEM DATA FILE NAME:

LOCATED IN:
00341ji VERSION NO
PDF SIZE USED FOR INPUT TRANSLATION:
NUMBER OF FILE RECORDS (PSIZE) = 0

NUMBER OF IN-CORE RECORDS PSIZE NEEDED FOR SIMULATION = 256 = 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
,
ASPEN PLUS PLAT:
WIN32
VER: 11.1
07/12/2007
PAGE 2
SIMULATION OF A SHORTCUT DISTILLATION COLUMN

FLOWSHEET SECTION
FLOWSHEET CONNECTIVITY BY STREAMS
STREAM
F B
SOURCE
DSTWU
DEST
DSTWU
STREAM
D
SOURCE
DSTWU
BEST
FLOWSHEET CONNECTIVITY BY BLOCKS
BLOCK DSTWU
INLETS F
OUTLETS DB
SEQUENCE USED WAS:

DSTWU
ASPEN PLUS
OVERALL FLOWSHEET BALANCE
SIMUIAT10N OF DISTILLATION MODELS
125
IN
OUT
RELATIVE DIFF.
0 000000E+00
.
CONVENTIONAL
ETHANE
COMPONENTS
120.000 80.0000
(LBMOIVHR)
120.000
ETHYLENE TOTAL BALANCE
80.0000
200.000
0 000000E+00
.
200.000 MOLE( LBMOIVHR) 5852.66 MASS(LB/HR) ENTHALPY(BTU/HR) -0.252753E+07
0 000000E+00
.
5852.66
0 155399E-15
.
-0.363687E+07
0 305025
.
ASPEN PLUS PLAT: WIN32 VER: 11.1 07/12/2007 PAGE SIMULATION OF A SHORTCUT DISTILLATION COLUMN
PHYSICAL PROPERTIES SECTION
COMPONENTS ID ETHANE ETHYLENE TYPE C C FORMULA C2H6

C2H4 WIN32 NAME OR ALIAS C2H6 C2H4 VER: 11.1 07/12/2007 REPORT NAME ETHANE
ETHYLENE
PAGE 4
ASPEN PLUS PLAT:
SIMULATION OF A SHORTCUT DISTILLATION COLUMN U-O-S BLOCK SECTION

BLOCK: DSTWU MODEL: DSTWU INLET STREAM:
F D
CONDENSER OUTLET: REBOILER OUTLET: PROPERTY OPTION SET:
RK-SOAVE STANDARD RKS EQUATION OF STATE
IN
TOTAL BALANCE MOLE( LBMOIVHR) MASS( LB/HR)
200.000 5852.66
OUT
200.000 5852.66
RELATIVE DIFF.
0 000000E+00
. -
0 155399E-15
.
ENTHALPY(BTU/HR)
* *
-0.252753E+07 .
-0.363687E+07
0.305025
INPUT DATA ***
HEAVY KEY COMPONENT RECOVERY FOR HEAVY KEY
ETHANE 0.00100000
LIGHT KEY COMPONENT RECOVERY FOR LIGHT KEY TOP STAGE PRESSURE (PSI) BOTTOM STAGE PRESSURE (PSI)
ETHYLENE 0.99600 300.000 300.000
126

30.0000 00
.
1"
NO. OF EQUILIBRIUM STAGES

DISTILLATE VAPOUR FRACTION
* **
RESULTS ***
DISTILLATE TEMP. (F) BOTTOM TEMP. (F) MINIMUM REFLUX RATIO ACTUAL REFLUX RATIO
MINIMUM STAGES
-18.3114 20.4654 7.72431 8.75092

33.9434
ACTUAL EQUILIBRIUM STAGES

NUMBER OF ACTUAL STAGES ABOVE FEED
DIST. VS FEED
67.8868
39.4169
0.39900
CONDENSER COOLING REQUIRED (BTU/HR)

NET CONDENSER DUTY (BTU/HR)
3,034,310.
-3,034,310.
REBOILER HEATING REQUIRED (BTU/HR)

NET REBOILER DUTY (BTU/HR)
1,924,980.
1,924,980.
ASPEN PLUS PLAT: WIN32 VER: 11.1 07/12/2007 PAGE SIMULATION OF A SHORTCUT DISTILLATION COLUMN
STREAM SECTION
BDF STREAM ID FROM:
TO :
DSTWU
DSTWU DSTWU
SUBSTREAM: MIXED
PHASE:
LIQUID
119.8800
0 3200
.
LIQUID
0 1200
.
VAPOUR
120.0000
COMPONENTS: LBMOL/HR
ETHANE
ETHYLENE
ETHANE
79.6800
1 5038-03
.
80.0000
0 6000
.
COMPONENTS: MOLE FRAC

0 9973
.
ETHYLENE
2 6622-03
.
0 9985
.
0 4000
.
TOTAL FLOW: LBMOL/HR LB/HR CUFT/HR
120.2000
79.8000
200.0000 5852.6576
7 5963+04
.
3613.7256 140.3489
2238.9320 82.0590 18.3114
STATE VARIABLES: TEMP (F) 20.4654 PRES (PSI) 300.0000

VFRAC LFRAC SFRAC
00
.
75.0000
15.0000
1 0000
.
300.0000
00
.
1 0000
.
1 0000
.
00
.
00
.
00
.
00
.
ENTHALPY: BTU/LBMOL
4 1532+04
.
1 6983+04
.
1 2638+04
.
ASPEN PLUS
BTU/LB
-

-
127
1381.4403
.
605.3231 1 3553+06
.
431.8608
2 5275+06
.
BTU/HR ENTROPY:
BTU/T.RMOL-R BTU/LB-R DENSITY: LBMOiyCUFT LB/CUFT AVGMW
4 9921+06 58.6713
1 9515
.
30.5758
1 0898
.
28.8269 0 9851
.
0 8564
.
0 9725
.
2 6329-03
.
25.7482
27.2844 28.0568
7 7046-02
.
30.0643
29.2633
ASPEN PLUS PLAT:
WIN32
VER: 11.1
07/12/2007
PAGE 6
SIMULATION OF A SHORTCUT DISTILLATION COLUMN PROBLEM STATUS SECTION BLOCK STATUS
*
*
Calculations were completed normally
* *
All Unit Operation blocks were completed normally

All streams were lashed normally f
*
*
*
#
322
. .
Simulation of a RadFrac Model
Problem statement
We will continue the above problem with few modifications. 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, reflux 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? f
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).
128
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

streams with the distillation column
.
Connecting feed, distillate and bottom product and changing the default names of the block and
.
all streams, finally we get Figure 3 26.
ASPEN PLUS
129
r|gf7-| .|..|' pr
1 -tCi
iw
IH
13
snefi
muu
am
im
mj**
ujw
J r-
<
FIGURE 3.26
In the subsequent step, simply hit Afet 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
Dm
tM
imh
n m
n*
9 i".
11
3 >- w.
ii
ITOf Mr.
'
MIUU
Da
oM
IM*a
- I
0<a
Narfw
..McfiAB
FIGURE 3.27(a)
130
JaglHl
:| Mftl yJ nWkfoKM 1 til .]J_nJ juJ
1 ill
Skv
iwi-si
O O
fl
MET METCfiAR
METCMGCM
US YOU UKE
f>
5V-C6AH
Sttwrnf
v a
*
Flo*ebftg Opbon*
ft-1 a
MoM
,1-! Took
4 Gfl
2Jil
STREAMS
farHaip.pMn
DSTWU
Dim
Rrftc
E- ad
Muffnc
SCFfac
PaBcfiae
Ratftac
Batetfrac
| .si) Chapter 3 ttowJWcri | 4]Q>pMf2-ltorfi Wtrt H
A xn Pkj. - SMi
. fi'"
FIGURE 3.27(b)
In the Setup/Report Options / Stream sheet select basis as shown in Figure 3.28.
,
.
ole' as well as 'Mass' fraction
fib b
on To*
n uv rnvhw Hdp
r Uhv
0 Becwrt Opdcro
1 >IB3|- . { lal
UMbl'1
-I
-3>>JialajNil
Gmi4 I Ftattt j Btaek Vsim} Proper j ADA |

;
HMtebancUWinsDnMpwl
Ffaubwit FiMjonbMa ShWDfamM
-
j f? Mote
'
P Moio
; tff- [geTTe
r mm
T SUHovcAjw
' P SS
r SUi viAm ;
Iff Sindsd(BOoctant
r WUaPBcoUw)
i jjj Bock.
K ConpoAMvAweftMoftKlnn
1 P SoK-rewatfwwKw*
WotWu.iartwiw*
MOM *
tWSrtten | S
Mtatt | HMEwhangm
SIRCMC
<i-t-o:--iv-(i..#.c-r' DSTMl DSTMJ

fag Arf E*ao. SCf >1>rf fl .ac e IK
FIGURE 3.28
ASPEN PLUS
131
Specifying components In the list on the left, choose Components /Specifications to define the components.
Using the component names, ethane and ethylene, as their IDs, we obtain the filled
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
>
si
,.
Pttrfnc
RrfW::
Bct#.*;
FIGURE 3.29

From the Data Browser select Specifications 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|a.
Bia(tw6 .
fflr.SOAVt - r
3
1 J
OwoCTylO
IJ
It
5T)J ' OSTWU
FIGURE 3.30
132

sheet. Inserting the given values for the feed stream, Figure 3.31 is obtained.
r
-
Use the Data Browser menu tree to navigate to the Streams /F/Input / Specifications
itfi>t|
3EfSiF -q
l-li Fi-Hid QUIH
|m*
dr
it
,
(200
jbrt*.
1j
1 Hm(t jr r:
CMlma | FtMcicn | RMMfOungett | Htrie-Mm \ SiteJ 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 Configuration sheet as shown in Figure 3 32.
,
.
Sa To* Rn Pa tfea/ WMw Help
I r.-.|-.i-l fT 3
g BO VMbki
Nv i
11] isN
a *
H*o4erHcuv*i
7]F
1 ?98
(trrotA,
O Dwt
Ha
FIGURE 3.32
ASPEN PLUS
133
Under Setup subfolder, the filled Streams sheet looks like Figure 3.33.
i 'to
!.;
>
| 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.
ASPEN PLUS
133
Under Setup subfolder, the filled Streams sheet looks like Figure 3.33.
i 'to
!.;
>
| 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.
134

n* E# Mm Dal* Toch ft* Utrvy WMdaw M*.
I
_.
l"l "li-dail 4;|
iJ
l i-.i T
-
ai Jfilp
...
HaoMiafl input pcl<tCiti.4B*
Ml JSTftllVtO fSON 3 Or tABLt
IAELE tIAJa - KJWSTD
owpotatiom owata ro> tmi jiowshmt;
>ClcaJ.ttQn tin . . .
Block: aAcrajkC
<mui
raofsac
IS LOHM THM( JTXGJ
*1 MKMVM
D.7O*i*07 (H/SSW1
Coif/cg*nfi iearttlOK*:
01 KL IL Sce/Tol
ill
Eo.oas
a
J 4
.
i
i :
j
i
U.m
7.oca i.73*fr
13 1
.
o.i6a7i-ai
lli>ral
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. f
j He Ed) Urn Curt TooU Ron
Plot Ifinry WndoM l-<*
JjlJ
_
121
1 1*1
da)
3Mbl
lljPi-H JMaljjj
~
3 Sii.iIe|
1 i
"
1
J CcnvOotcm
l316 J982
8 078
7*1154
13i5
|te.fr:
OS*
"
752(1
0517
0383
Um
0995
TTfhUNE tiHiilt
'
QOQi
ComOnta
11371!
~
120(
73512
CTHYIENC
0498
man)
EIHAHE EIHYUNE
0 336
00M
bou
03
oeao
cx.magttgicffTr-wi
FIGURE 3.36
ASPEN PLUS
135
Select Input Summary rom the View dropdown menu to obtain all input information of the present problem (see Figure 3.37). f
Olr.ciory I
ire.i uiu-y itHin bv up*- lia
Pro m (tin
.>. It.I ll.'S'l* Sal ).i 11,
00'
-Oin! .s't-t .ic.r Hut II. 1
Tin* 'SIIl1T*("i .*
UlM'M ts'w*
I-IIUVI
CVfllD ILL
.ccolvi.ii>o
xcow-io
.Mie'-io-un 10
cavit 'i-.
a. B. fV*r> ll-al Kr. Hh.Vt , c H.O,

Ml> 'w live ">!.
'nrari
ill-
- '- i-.'iM' ..
:,
(oiMitilax: Mil flo"

unimi yxioikkmiu 4
Miiauas main
tiHu ei- -
rmkM C!"
W'OITl Ultll'l
HWii ill wii:i
CfWuM EIMK .oioXo<: MCKMI VMB VMIK fi "IWl, ll "iw-.'OC.

1
.
..
FIGURE 3.37
Results of the RadFrac column

TABLE 3.1
Composition (mole fraction) Component

ethane
B
0 996
. .
D
0 004
0 99G
.
ethylene
Results of the DSTWU column
0 004
.
TABLE 3.2
Composition (mole raction) Component

ethane B
0 997
. .
D
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
136
3
.
'
3
1
ASPEN PLUS SIMULATION OF THE MULTICOMPONENT

DISTILLATION COLUMNS Simulation of a RadFrac Model
33
.
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
Flow rate = 100 Ibmol/hr
<
Vapour Distillate Specifications

Temperature = 120F Pressure = 120 psia Component

Mole% 5
4
Reflux rate = 125 Ibmol/hr
C3
/-C
15
n-C4
20 25
35
C5 A?-C5
'
-
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 DISTOIATIOM 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 specific 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. f
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).
'
aterial

fi, 6* v rwa To* IVi rk**M llv wn*~
H*
CM
' DSm) Diiii Kvfiec Eliacl Muffiac SCFw PelroFiK Hattfims
'
STREAMS
FsrIMs.miFI
BUchFrac cv Rto*>wn'ii.i ihim
Chacte3 Wo<!W ,[ ]Oitcl-ltotlW.. | FIGURE 3.41
Met* Acicla ftcfewl
I IMS
* Mi
D. To* fo PW litra
unto* H*
|a<xl
D|ia|B|
a aj si
StvamOast
|8| >g| aklaKKM n.| -Ti| ,jHj
jj
mTb fJ Mil iilpi-3 l oi l H

til UiHiflm
::
!|Swiabor at a MJHcoffponent Colwrr

.
=c ia LWl.-S<h
O RepalCptom
Conmneti
Praot
GMMri
d
OuQtitanAt |ENG
CONVEN
rj Rearforj
Uu......
'
<
Si d d J d
r UwfreswAtcataJabm
_
RaKliSurray
SetHat,
M"! ''ll'n ' j40**** I

r
H*****"" CfcBa | Raactan | natMCIWisin ! ManBii*w i SU> | UawHaMi )
FIGURE 3.42(a)
ASPEN PLUS
139
illJIBI
I f
~ -
I ! c(PJ S fJ- >ll !-H f

l -I-1 fV
3 'I 1*1 i| TJ
i m\ MM
j J
-1 -iC!
o--
1-1
Hi-a
li im
MMa
wr
-w.
t-
FIGURE 3.42(b)
i -iff]
1*1 -iti
r
'
'"
''''
aim
FIGURE 3.43
Specifying components In the left 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
140

mas.
m Do* lock Br. PU Lbtwy MooHHp
:
?j 'I
J-" - l-l hPT

1 ?(c fit SmJalicn 0*:<-i
PROPANE CuBjn Uh*l
SOBUfll Convert onal
lai
fflOPWIE
S06UTAHE C4H10-2
0 Papc" wet*
L J-J 6-<J Proli
MEmtlBUIiJIt. 9UZ-3 JPCItTWIE
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
,
.
Ffe E* W
Pa
das
0|e?|B|
I
Jt Specficabom
W si lStl
PiopBly method: t modHt

lhUSs
Ptoctislypw.
F
[PEHG-ROe
r
-
ftw-waioi method j
htufaoampemrti
Qj
;
.
H-f)rC<mpj
unif:qw*>!
:
ChcntbylD
O GLOBAL
1 (3 Enmaw
1 -ij PramMwi
F
-
CH
Pfltefnc P fwt B#etf.K
STREAMS
FIGURE 3.45
ASPEN PLUS
141
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
Ml II- P=!J
" -IB I'll IW

3
I2S
I-
3
,
f
-
3
-
&
I
3
3
'
'U*w
5?
M=
!?-
Mftg
!Ei
-*.
-~
-P--
'O--------
FIGURE 3.46
Specifying block information Open the Configuration sheet choosing Blocks /RADFRAC in the list on the left. In the problem statement, the information on number of stages, condenser type, vapour distillate low rate and reflux rate are given (see Figure 3.47). f
rZ3_
3=
'
mam
ea
.
rauv
s-.rv,
Ma
Cm
mm
.*>>
FIGURE 3.47
ASPEN PLUS
141
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
Ml II- P=!J
" -IB I'll IW

3
I2S
I-
3
,
f
-
3
-
&
I
3
3
'
'U*w
5?
M=
!?-
Mftg
!Ei
-*.
-~
-P--
'O--------
FIGURE 3.46
Specifying block information Open the Configuration sheet choosing Blocks /RADFRAC in the list on the left. In the problem statement, the information on number of stages, condenser type, vapour distillate low rate and reflux rate are given (see Figure 3.47). f
rZ3_
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 Di T* ft* PW Uom* VMcm N*
CJ
31 Pp 3.
Q
flow
i rj dv
20
Um4
t . .
9 ,
0-
S .
'
RADFRAC
Hi j j flndxra
*
Cj
T3<*
SinDWS
! OSTW
OiW
ft
tm*t
MJJ.tc
Sgt*e
fWuc
Hwfie
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
CJ fearfiMngCkUn
'
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 first.
.
ASPEN PLUS
T He S <*- Ma Tn* ft* Ft* Un, WMdw 4*
143
wal _U
r.>i..i..|. fT
-
a|t1>hNIH!l 2l jiiiiii J i I .W I - W jgfel

'
o
Method
Jj
Set*
0
:j
9
0
llhMWHcu Trr. Smg 9
Gsmaigra
"
T'
STf&WS
Km)
Dha
Hvfttc
Eiftact
Httfrac
SCFac
PdtoFiac
Ra<eFtc
SalcbFiK
Aspen Phis - 9b.. /- AOeb tooba
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
HafaiEn.
O '
-
_ij_iM_J_Ua| M!d
dili5lPi
1
BidoLaliid
3 yOphOW VoptM-UqilU j
a '
a
Slartrg
*
Endng
RSOfRAC
a.
P*> Sir.)
Eta
5/Cx- iele
flT
-
<**tmm I
.
I HeL-Jwn 1 *-". | Rea. | l> iei>w | Meroiae,. ) Sol* 1 UwHoA*

. -' 5 SEi . n. .... Dj.kT.
a-
MeMTiel '
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

mmmamm
RU> &H \Aew Dats Tec*
i r-i y i nr
.
-
am i m
J <
'
joc*w.
StV9
Ugp
1
19
PAOFRAC
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 0e To . Run Jbnrf VHvhw
Jjij
< Loading SlmXat cn Jngtn* lS:61r33 i
D RADFRAC
;rDC8ing Input .pcif tcti =Ti
.
, . .
IHTOUUTTflH
eitJAfly PUJutfOTiRS paru
can* set d
roa hool SEParrD
mie muivn from scf tasli .
xuu kms - lsptste
slock: ftirraxc
maids a*cnuc
esM
1 2195
.
;j*4t
Jsasll
f "
"
M.iJSra> vrMii<$aM> II S.O.*.. SeMJtJ. II IMiM H<w
CM fill
Pa-nOwvn I| (Won Rajrtai || IWnCh n ||
MnuM i
V J '
STREAMS
OSIVAJ OSTWU
Dfl
Rrfwc
MJf
iCfiK
FWrfnc
R ft*:
J'j
gaafwe
i- *
jT-tfc,
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
9
13 "--l
_
IM Mi
mmf ~
.>*
*.
"
Hi
"
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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

lisf i
-
I i-l .IglJi j
urn
i -id
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FIGURE 3.55
146
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).
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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.

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FIGURE 3.57
ASPEN PLUS"" SIMULATION OF DISTILLATION MODELS
147
on the keyboard to get Figure 3.58.
In the next, select Plot Wizard from the Plot dropdown menu or press Ctrl + Alt + W
I ... '.
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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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FIGURE 3.59
148
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).
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io
15
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 refining 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 strippers. The furnace (single stage lash type) operates at f
25 psia and provides a fractional overflash 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 eficiency 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 f f
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

LIGHTS
149
<
WATER
STMl
sir,STM2
BOT
FIGURE 3.61
A lowsheet of a petroleum refining column. f
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)

3
65
575
Ci c2 C3
i-C4
-c4
1820 7500 30000 42000 250
i-C5
n-C5
H2O
In Table 3.4, two pumparound circuits and three side strippers are specified.
TABLE 3.4
Loeatum
Specifications
Flow rate
Pumparound (drawoff type) 1 (partial) 2 (partial)
Draw stage
8
1
Return stage
6 12
Heat duty
(MMBtu/hr)
-
(bbl/day)
49000
1000
40 (for cooling) 17 (for cooling)
Location
Stripper
1 2
No. of
stages
5
4
Stripper
product
SID1
SID2
Draw
Return
Stripping
steam
stage
6 12 19
stage
5
11
Bottom product flow rate (bbl/day)

11000
15000 8000
STMl
STM2
SID3
1
18
STM3
150
Four steam streams used in the column model are described in Table 3.5.
TABLE 3.5
Specifications
Steam stream Location Main tower
Temperature (0F)
350 350
350
Pressure (psia)
50 50
Flow rate (lb/hr)

11500
4000
STEAM
STM1 STM2 STM3
SID1 stripper SID2 stripper
50
50
1500
1000
SID3 stripper
350
Considering the 'BK10' base method under 'REFINERT process type, simulate the
PetroFrac column and report the flow rates (bbl/day) of all product streams.
Simulation approach
Select Aspen Plus User Interface. When the Aspen Plus Startup dialog appears
choose Template and click on OK (see Figure 3.62).
It
Cioata a Utm SmMan Using

A+
A+
f Blank Smiiabon
Temptale
"
OpendnEwiingSimulatior
e*r\ADU BOOK apw
DAeoolAChaptesVAOU OWN xm D:V0ook\Chap(sViDU t*{>

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Adobe Ao-dia P,d I Chace.s

FIGURE 3.62
W \ 4]Q*i** 2
HmcHW ||
Av
Pka
and press OK knob
As the next window pops up (see Figure 3.63), select Petroleum with English Units
.
ASPEN PLUS SIMULATION OF DISTILLATION MODELS
151
mm
1
'Mm.
linn
v-
..
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.
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FIGURE 3.64
152
PROCKSS SIMULATION AND CONTROL USING ASPEN
As the distillation tower described 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. f
L'Mi-
111" A
KM*
1W
mm m
31*
1Mb
-jM.
FIGURE 3.65
Configuring settings Click Next to continue the simulation (see Figure 3.66). In the Title field, enter Simulation of a Petroleum Refining Column'. Open the Accounting sheet keeping untouched the other global defaults set by Aspen Plus.
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t.
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<i.i-?-ir-Q-ii'-i?--i
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FIGURE 3.66
Copyrlghtf
ASPEN PLUS
153
In the form, shown in Figure 3.67, the Aspen Plus accounting information are included.
.
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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.
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FIGURE 3.68
154
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
Process type field, select 'REFINERY
K-10 method).
'
and in the Base method field, select 'BKlO' (Brau

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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.
.
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FIGURE 3.70
ASPEN PLUS
155
As we hit Next icon, an input form for Stream STEAM opens up. After filling out, it
looks like Figure 3.71

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FIGURE 3.71
In Figures 3,72(a) (b) and (c), three filled input forms are shown for STM1, STM2
,
and STM3 streams
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156
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FIGURE 3.72(b)
at:
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lad fuccT
lt*xJ
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FIGURE 3.72(c)
From the Data Browser, open Blocks /PRC/Setup /Configuration sheet and
(see Figure 3.73).
fill 11 up
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FIGURE 3.73
As we press Next icon, the Blocks /PRC/Setup /Streams sheet appears as shown in
Figure 3.74.
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jtHGRETRC <<j|Ai 3 j JCcriifjiter, ystiasnej Steam |vn*tue|wCariMnnn)vFijinca{

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FIGURE 3.74
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).
,
n Figure 3.75, the pressure sheet shows the condenser pressure along with the top
158

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F
F
-
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17-
3 3
3 'no
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3 iTm
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i r-i-i. i-- rir
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w w:
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M/w IOib NWw
Haas
i .r.
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 overflash. f
158

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F
-
P P
17-
3 3
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w w:
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M/w IOib NWw
Haas
i .r.
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 overflash. f
ASPEN PLUS SIMULATION OF DISTILLATION MODELS

tUiiLH
159
MM
.
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_
J *nmr. I ySMi| Staw |
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R*MS
L/ST-mj
_
D*L
R*mc
E*
Mrffue
StTuc
PeboFiK
R ef>*e
!5nC
FIGURE 3.77
In the left 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 i
las! nr
dvifelsKM j -|
1 IOI 1
1 IH_JS)_J l
la! iMSil
Fb |r..-,rr,F:-.| H
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SOW
NWfwt
Rvrfiy
gjjtjftg
-
- .
ii i
HUH
P-j. JtothLy?**-
FIGURE 3.78
tj
The three windows shown in Figure 3.79(a), (b) and (c), specify the side strippers d on the given input data.
,
160

-
(Buck PUT (INMroftm;) Slriivm SI - IWofttmwI

f\vi -V.' UbraryYfrdon Heto
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STREAMS
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FIGURE 3.79(a)
EBB
Rt
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Lfcrary WfxJw
Dl lyj
as'
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J J fclej w) QKlfeKl l i n.| 3 >l
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forced
i - IBI iSlti
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rj ot U 015 Jfl fEEt t j 5DI H 5:02 a SiO) STEAM 5TM1 Ji sTMi

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S-3
>
ftrtw* Stwca
rj CoodMer Hcurv
iwifiii iiHi
HutEichanoeii
KMancdu
W ttinM) Sbr S2 dw. JS 3SA
Cokanu | Raadai | Pnuuactrogni I MawMon | SdUs | UmMcxMi

Mtt ffK MJfi:
STREAMS
'
OSTWU
0ml
RadFtsc
Erf/acl
SCFuc
PmoFiic
Rrfi
ettfic: C\ gFoUmVANMnAjill 1
- I i.2l "
JjlS
| jJOaa2 HcmrtlW |'T Ai,P<fcii.H)J ||
HO
FIGURE 3.79(b)
ASPEN PLUS
161
as-3
a GOT
ns FEED UCHTS
! U
n
-
fl
3
"
Zj
3 tJv*f>aditn fie
-J
n
1 iV)
*
SOI SDJ
SOS
5TBW
STM1
- j
_
snc STM3 WATtP

n
r Rttolodur)'
FX.
1)
WaCwwH
Jj
.....
M Mar cou-t. jwja ;aji,
[V
STREAMS
Mm/5c*Mt. I S tHten I HE*chn9M Cok-ni j n. on [ f Miw*CKangtrt ] HmvMm | SoUi |

DSTWU
Model. |
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
Dj Toob Rwi Pa
Jsrvy Vintom net
Ql -l H
_
ra
Sdukw
1)
j
W.srtrt
OHRltfMM
J *
LXirTS
lj
1, 5103
U s-o:
STEAM STM1
31-ur
jfl snc
ino
j MHTSH
taw
$ fK
Jj
"MV
HBEAMS hfin:
-
' OStWU OSIWU
Dail
firf.*:
ErtM
HJ*.*
SCfi*c
Pofr*c
Hrf'*c
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, fill out the form for second pumparound circuit, shown in Figure 3.81.
|'|H| |
i r
J
n I F
.
..
p rr-T n U -1
i
q -.| ul 1 n.|
| :
f" hm*lm
'
I j
t: w;
V) REE
j
1
,
SiOl
"0L-
Sffll
-.-.
(..m
1... .
J Beck*
Jfl ' T - OS
-
Jfl PI
_
h
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;
ibi
i i
lOC''*
S Was Jui M,
Fr nxtcj input i(MiftHiau
oawjimiftp oawa rca the n-wsasir
O.tlMl
STPAm
D5TWI]
Cfl
firfiac
m.HiF.k
SCf.w
Fy.rfnc
fi
a.-
g w,
FIGURE 3.82
ASPEN PLUS
163
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-
f
.-
FIGURE 3.83
To obtain the input information (see Figure 3.84), select Input Summary from the View pulldown menu.
ITU
UMilMly of
fv irtm . uve. :
no*
Ha. lid.
t. flaa
titmm
Cl CM ut c*<ao ;
Ml . 0-|
"Co
ncc* c >uo s'*! w c*Ti" iroa >tw oj f
t.ii:oT lu f
FIGURE 3.84
164
34
.
ASPEN
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.
Absorbent
GAS-PDT
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
150 240
4
C3
n-C
170 150
n-C
FIGURE 3.85 A Tlowsheet of an absorption column.
Apply the Peng-Robinson equation of state

compositions.
model in the simulation.
(a) Simulate the absorber model (ABSBR2 under RadFrac) and compute the product
(b) Perform the sensitivity analysis by examining the effect of absorbent flow 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).
ASPEN PLUS
165
b
.
_l a AHM
-< r-J 3
! I I
Jgl-J _!
r OMnEFSai>H>
0 J.<* *hMWU0
..
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 flow diagram
.
somewhere
Creating flowsheet Select the Columns tab from the bottom toolbar Among the available RadFrac models, select ABSBR2 and then place it on the flowsheet by clicking with the cross hair
.
.
on the flowsheet background Right-click to de-select the block. Connecting the inlet and we have Figure d./.
outlet streams and changing the all default labels
,
166

F dl
-
Vto* tJ8 Tccto Btr low wl liw/ Wn<*
J1IM J_L-LJI
.1 .tel. I
IBI g]*!j
1 8
'H
1 :-AS'Ee: f
STREAMS
;
S OSTWU
CwU
Ratfiac
E[c>
MtlaP.ac
SCfiv:
PfUcfrac
Raiefiae
Batctfrac
Slwl] S J
"
Botk
j 4] Aapen_ Moby Mct | - Cha r3 Hritirft
j jUwtdTwro Hwcao )[
Aapen PVj . Soul
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 i-i-I- PT L r

~
SI
5**
Spectftcjk>n SmitMlcnOiMni
ISmJabon ot i Abtoiba
"
R#iiVPO
3
3 1
OuWtBttlt |ENG
:
Stiom dan Ftowbesw
r |cOW>/HH [
"
DM C
STREAMS
OST'VU
QaU
RxF.ac
EkI
M F.oc
Ptof.ac
R<Mfic
FIGURE 3.88(a)
ASPEN PLUS
167
FIGURE 3.88(b)
38
TigIS
sir
-
FIGURE 3.88(c)
Specifying components From the Data Browser, choose Components/Specifications. In the input form, shown in Figure 3.89, all components are defined. Specifying property method
In the list on the left, shown in Figure 3.90. select Properties /Specifications to obtain
the property input form. Set PENG-ROB property method.
168
PROCKSS SIMULATION AND CONTROL USING ASPEN11
&
! -m I
W W
'
"
5!ES
ii
-
11
LI
FIGURE 3.89
IF
> -DW W >. M -il> -
FIGURE 3.90
Specifying stream information 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 Figures 3.91(a) and (b). Specifying block information
Use the Data Browser menu tree to navigate to the Blocks/ABSORBER/Setup/Configuration sheet (see Figure 3.92).
168
PROCKSS SIMULATION AND CONTROL USING ASPEN11
&
! -m I
W W
'
"
5!ES
ii
-
11
LI
FIGURE 3.89
IF
> -DW W >. M -il> -
FIGURE 3.90
Specifying stream information 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 Figures 3.91(a) and (b). Specifying block information
Use the Data Browser menu tree to navigate to the Blocks/ABSORBER/Setup/Configuration sheet (see Figure 3.92).
ASPEN PLUS
169
'
r i i i- rv
i
i ie:
m aia
"
nr
IS
IV
H3-
FIGURE 3.91(a)
3j
"
7laLJlllrr-3)aU;
I E0OMr |
1 EC?*I
r
.
>]
tea
> fi
"
' '
"
T-r1
FIGURE 3.91(b)
ouiul .1 ! ami 01 al-rtfcloKlyl ! 3 SfEf

P
-
I MilBj} 3 i -fe!
j\
Li
ir
FIGURE 3.92
170
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 Vfe* CW* Tec* Fin fa u
, Wi-do- Up
Mai -I..[ **m *?! oMfel

i r 1.14- nr
M *'l :2l_J_liiJjdElj*J.iJ
-i i iai
1 I
PtoimiI >/!:cnjcnni|
Com*
sws. WOfiBEH
5
HMttr,
J MfMffd
Urn*
1W
6*jb
Flow
:.
U*.
Fto-iatm
| .
SfBEAMS
Djrf
f&F-K
E-iKa
W-if.s:
SCF
ff-t
fistf.ic
Bcf >
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.
.
rtca a(s
"m
Rji
fta
Jay,
7fre
7]
fop
*
' Ccmkraii pftlfJI*
fl (t*Sf EEC
AflSOftSER
[V
- I
. ..MT-UJ-W:
0-
R .
Pnrf.>:
ftiufnt
Bwtfat
| tjHA.MTMa We {j
<
-S
' to. **** tr j -
Mil
FIGURE 3.94
ASPEN PLUS"' SIMULATION OF DISTILLATION Running the simulation
MODELS
171
Hit Next foUowed by OK to run the simulation. The Control Panel window is
Figure 3.95.
-
shown in
Ft.
V*-
OA
TMh
4*
ci1H| *U M*} J T-l l-l' F*

_
raMai
H'"I n . I M .| i?i m
'I .IBI I laai M
mjihTiiiiTiii liiriSij
StPEAMi
[ .11VU
RadF.-a-
Mjfffac
SCFrc
Prttofra-
RatsF
Bt&f'*
FIGURE 3.95
Viewing results
Choosing Results Summary /Streams in the left pane of the Data Browser window get the results as shown in Figure 3.96.
fit SX .Vn t 1
It.-. a> P UrVf
we
loHal am
_
Lr_ia_ J rr
_
la
1 *LiJ )W
~
3 aaad
'
Jll
I j|r
IMHB H9913
a > ... ei
NC4
aria
Mm tuoiyi
HBB
liH
-
TiB
iSidV)
isnutu
Ntll)
C1
ra-1 *l)4s jw0J<* O0M
ozn 0152
H
C)
6020
'
-
2 dm
01*
0012
US'cioo
RG
tcio 1000
mM
OlOD
oca
np
|
.
a'
sifiEtw'
f -. kM- j.
e '' j
Dr.
_V
ri.j,3,
~, Ml<, '*
26...
SSffigB
r-j ..,
f,v'r'a-
fiESfad
SftS
I a-w
a i te ss
i iaajgLg
FIGURE 3.96
172
(b) In the sensitivity analysis we will manipulate the absorbent flow 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
-
ft*
idl
.tea
1 MM Wl nMfcl-si-JI-i el r d |B| i r L m rv 1
_ _
I L'iiliJJSll -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
! . fT
1 .lEI
|B|
1 |
StaM
l&i-iTOI
> -
4...,'. ., | MW. I H,[Jw
U>mm | aca>. | Bbu.Ow I M-MO, | U* I <lm*M I t
'
OITWU
Cm
RfCMtt
HJf*c
Tac
IW'k
'tc
fc
'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

Type: Mole-Flow
Stream: ABSORBEN
Substream: MIXED
data:
Component: NC10
Overall range
Lower: 500
Upper: 1500
Increment: 50
>
Ht
aa
Vfem
Csa
Too
fu\
Pa
{tar,
>Vhd
>Mi
1*1 "i
i il.li:M;ii A
_
L r
_
danElEMo
.
_
-i
3
[|ai
"~
1>>I
! 1 *1
/Dorr yvacj |TulaM| TaUgr

j On, Ogmrm
OMMbn I Oaard |
VsxMtruitei
Tor
Cjcpona
3 Low |M0 Upo [Two

Ina fsT
Hercxljbrti
ue
-
Tea*
Lm1 I
Train,
Ure2 |
U C3
- '
LntJ P
MM
.
_
DFf
23
r tttji
MM
UKJAHS
' CrtTVU
FVlrfnc
flKrfnc
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..
10 >
'>
j[di<)P
Zl JiUjd
Cfton*
et
" .
ft
.- u~
4 "
'
DSTWU
CMI
Mrfe t
wjftK
KTm
hmfm
<
*ml~
w -m
Mo o
Ik
FIGURE 3.100
I'ICI
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 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< siW
I --. I - l - I
J
FIGURE 3 103
176
(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
2iB_uaas -'-i ~ _u-j.ii2a
'
~--
5=.
o
_
AH
.>
Mfc.
lw
Mto
W.
FIGURE 3.104
Select ihTettJ 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
v
. .
K-MJ-B-M-iM-fFIGURE 3.105
Copyrlghiod material
ASPEN PLUS1M SIMULATION OF DISTILLATION MODELS
177
In the subsequent step (see Figure 3.106), select the Spec tab. Design specification
data are noted below:
Spec: C3
Target: 0.15
Tolerance: 0.001
;Ti=E4Mi
DSTVU
Dag
RJf>:
Erftaci
M frac
SCFc
PihoF-JC
flyrf.K
fcj'ctfix
FIGURE 3.106
Finally (see Figure 3 107), select the Vary tab and enter the following information:
.
>
4. Lfc
Ar-
Cm to-Ji Hpi Ptoi
Ubr,
AWtow
H>
MHj_U jff) nkiaiaKiH n.| P >|'l"l imi i ibi j r iii nr

_
I ~l
i i
1 fil
'
.
'
i J
/-,
6
-
r
0 0
3 "
r r
Q
'
! M6
>
r-s.
_
>
I -'
Tan,
> fi-
'
-
1
| HmMH I r>MMf'CMM | Mr iW I SOW: | UwMaW- |
gj '
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 Uj Tw, fu. w**.
-
el w| Mii*MaJi)!id r
I I "I
lai
311 <M
Slock:
ISSOAfilS
USFUC
K. 1
K.
t
XL
1
Ici
Ir.
C.1K31
Lhtt i.e.
i - fl-.j.J.
sicwrHbi Ik/TcI
iMunuii
0 IS9ft3
ML
i i
IL
ttt/To)
c.aui*
3TH*S
'
-
! OSTWU
Dan
Brfrac
Um*
UtffiK
SOHk
ftftrfwe
RaUfwc
Badftic
ail * J "
FIGURE 3.108
As we choose Streams subfolder under Results Summary folder in the list on the left (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, fill up the input forms for setup components, properties, streams and blocks. In the next, simulate tne optimization problem as described in the following
.
ASPEN PLUS
179
t -r
4
-
'
M
"
) H
TM
lit
KB
1
Si.-
JUBJ i>'
IT
.
iMT
sna-fSBRIi .<-'.
tc
wra-; wim
.
rr owi
t-rr*
Im*
'
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.
N t)
I'M*
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
STREAMS
Hitut/SpEttm j
h!BM f 5&M Sp
,
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
..
..
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)|
\\
j l
21 Cw
_
ffi
rw-m
nw aw i
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,,
fir
i bi
-
ibi
'Jr. - rr.
>,
K1.pu
75 00
noco
10*
USC0 -
foosaoo
wv.-
HH
lUHjU
Lit
MMB
4*m
5SS7
ft
"
' .
Wfa> c?
mm
170(00
1?. *
'
'
Ti
PIVB
iS3
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 reflux 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. f
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 reflux ratio is 7 and the distillate to feed ratio is
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
.
08
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 reflux ratio (mole basis)
is 2. A side product (vapour) is withdrawn from 14th stage. Applying the SoaveRedlich-Kwong (SRK) property method, simulate the column model and report
the product compositions.
Feed
Temperature = 110nF
Pressure = 175 kPa
Dj
Sj
O
cC.
Feed stage = 10 (above stage) Component

benzene
toluene
Flow rate (Ibmol/hr)

250
80
diphenyl
10
FIGURE 3.115 A flowsheet of a distillation column.
B\
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 PengRobinson thermodynamic method, simulate the RadFrac model (STRIP2) and ind out the product compositions.
ASPEN PLUS
Feed
183
Temperature = 40oF
Pressure = 300 psia
D -
Feed stage = 1 (above stage)

Component
c,
Flow rate
(Ibmol/hr)
60 75
c2 c3
n-C 4
150 175
60 35
n-C5
n-C s
FIGURE 3.116
3
.
A flowsheet of a stripping column.
5 A feed mixture of cyclopentane and cyclohexane is to be separated employing a

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

methanol
Flow rate
(Ibmol/hr)
1000
FIGURE 3.117
A lowsheet of an extraction column. f
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 effect of
absorbent low rate on the exiting ammonia concentration in the top product. f
Copyrlghled malarial
184
3
.
7 An artificial 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
FIGURE 3.118 A flowsheet of a petroleum refining column

TABLE 3.6
Component
c2 C
n-C
3
Flow rate (bbl/day)

10
100 600 1800
7500
30000
1-0,
42000 250 250
nrCt
H 0
2
ASHEN PLUS
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
idrauoff type)
Draw stage
8
Return
Flaw rate
Temperature
feF, 20
stage
6
(bbl/day)
40000
I (partial)
Location
Stnpper
1
No. of
stages
5
Stnpper product
SID1
Draw
Return
Stripping
steam
stage
12
stage
10
Bottom product flow rate (bbl/day;

15000
STEM1
Two steam streams, used in the column model, are described in Table 3.8.
TABLE 3
Specifications
Steam stream Location
Temperature (8F)
350 350
Pressure (psia)
50 50
Flow rate Ob/hr)

12000 5000
STEAM
Main tower
STEM!
Stnpper
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. After 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. f
189
Copyrk
190

TABLE 4.1
Component
F/ouj rate (kmol/hr)

10 35
50
130 200 180 200
n-C
.
pi
C1
C2
C3
C4
cs
FIGURE 4.1
A lowsheet of a distillation train. f
For Aspen Plus simulation of the distillation train, required information are given
in Table 4.2.
TABLE 4.2 Column
Condenser
Reboiler
(abbreviation) Deethanizer (CD
pressure (aim)
9 5 4 3 2
pressure (atm)
9
Depropanizer (C2)
Deisobutanizer (03) Debutanizer (04)
6
4
3
2
Deisopentanizer (05)
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 PengRobinson 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"
-
.'
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-
l-.
<.-
r<
J - .
mil I-'
I
_
J I"1
'
FIGURE 4 3
192

'
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 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 flowsheet 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.
SOD-*
QD-o
r
PI Cl
]-o
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
C1
c>
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), first select it, then right-click, next select Rename Stream (or Rename Block) and finally enter the appropriate name.
Re E Vto On Took tin
Uban
Whfen
Help
H _J iU _l J
kl
5","*,s
Oirwu
o ai
,
SCfuc
PMiofioc
BMefiai
Boictfuc
|iFold.moIVilH
HUM
fwllrJ
FIGURE 4.7
Required Input Incomplete indicating that the process flowsheet is complete and input
data are required to enter for running the simulation.
The status indicator in the bottom right of the window, shown in Figure 4.7, says
194
Configuring settings 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
-
life
FIGURE 4.8
It is always a good practice to represent a simulation problem with entering 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
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
User name: AKJANA Account number: IIT-KGP
SIMULATION OF CHEMICAL PLANTS
195
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 left Under the Stream tab select 'Mole' as Fraction basis (see Figure 4 11)
,
,
.
n fT7
- .
-
*-
. -
u>U>i
2}'
. <
FIGURE 4.11
196
PROCESS SIMULATION AND CONTROL
USING ASPEN
Specifications sheet. It is shown in Chapter 1 how to define components in the component

input form. Here, we have this table as shown
ffc E* *p. ftw To* R
In the subsequent step, use the Data Browser menu tree to navigate to the Components/
in Figure 4.12.
i r l-l .l- fT
>i -"Pi
iai
g :.r.:
C2
CJ C*
Fopui
IU
cs
.
*
*
!S
j wy tm
1: . .
i i r
J O pOa**
id
5
_
-.
-J
| > M<MVnt
FIGURE 4.12

In the list on the left
,
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
,
choose Properties/Specifications to obtain the property input form.
plant, set PENG-ROB base property method by scrolling down (Figure 4 13).
.
5*
C*, T**
Wnajt.
tt*
J DM
PT
FIGURE 4.13
ASPEN PLUS
-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
"
j. a.
-j],. ,.
tti .rtl.m '-if
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,
31iiai _U *iB| 51 nl-mi*!<l
1 "
it:
6 :
imua
h**
tffl
FIGURE 4.15
198
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-
tap u**
neb*.
>y ctnponent
Condentei ipertcalun!
(a
Ctp fo
T
~
1 F
Rww jo O
C3
O St*: G<t<-C-.
r>nm
] .JtdiJ Trim
FIGURE 4.16(a)
J iiiJ JZi J
_ _
iJ~_
3Mt I
Vn .an d
pi tjf
|0 IrcU
_
HJilJ -3
CdaimxtOebor* j Convagervt
Ptuiite
j )
a Wumbe.
r Reftw .aha
*
-
U B3 6_
Reba
fT
I
.
'
U K J W
j W
0 02 _1 M
_
Ccrrp
fic<
3]
j _, D
Reow (0 CO)
S M
-
Cl
jfi : .
ftco- It* cm
RMI
Pu
I I Sob* I UMModrt t
k
Km-
Fv H* cm F"
FIGURE 4.16(b)
ASPEN PLUS
199
Si ioj _U
51 riKifci- l-M 3) _J_JjiJ ji) 5j
i
_
J
-
(7
ll**c*
*
.
S H
Zl
i >-
J
-
'
1
n
as
I HMtKfaan | Colm | Rucmt | Pimm*!
-
CH
MFSptr SSpM
MM C iFMiStavPUtn NUN fiw*Jkci41
FIGURE 4.16(c)
Pta
Jrav
ffiimii
"
CondEnia f
u
_
J w
J
I
.
-
f"
-
i-" Him HMra/lrf nan || f[*jit Mraeon || Hn.f rp., | Coupni | RmcV<. | Prwtti.Chn | tWiMi t Set* | UtpUM* |
.
CM
' U** V
,
Hp
flflUMS
*
C a(*tJ
tI>
HUN
,*rJKmvwa
FIGURE 4 16(d)
.
of 10 atm (see Figure 4.17).
Click on Afert and specify the pump (PI) outlet by providing the discharge pressure
200
FU
Jtnry
Wndov.
I Ms
HA
L TJ i i
"
J2J
3
r Preci.ie "iciMie r Pttiu>(Mo
"
) <Jftimr* (kthnjs condhoni
|
Saiw
ijt SutrciJine
0 MM
Sw&wjm
-1
j <Ch 'il-IA=r'Ari
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
wni
D>38
H jsn
l -iai
/Specifcaliooij CflfcOalKr. OsHjw ] flaihOphor.t

(? Ptmp
0 j
EWSK Rtcnc
"
3
"
P
_
Result
Al
Ptnp.
ro-jcertrterma'eincxJ To no'rr roi edi ijncd Mea ' c fx :- Hm - * Osu .>: -- (Mnu.
I W ci
-
ai c;
j a o
.
ai
a pi
EOCorwOpten
iM
.
9 -m *
FIGURE 4.18
ASPEN PLUS"' SIMULATION OF CHEMICAL PLANTS

,
201
Notice that if there are no red semicircles in the left 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
B a B O B w
Z '
us states; ~. Jt mu tjxll huz - jjtkt:
93
a = c n
z.
=i3i
arc:
lice*
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
202
3 >bJ.'<IP~~3l-i
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9
T a! TW
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am TTEB 1
nrw HH
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mid
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e
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tUi ttdUB '

a
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TOTB
Mi
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nuif
nnu
'
1m
muff 1
1
nn- TW
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.
-
IB
RD TS BB
"
"
rw- rfq|p
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4 2j
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713
,
UK
us
-
Tifi- BM TW
1 TB
IMl
TBS TRC irK.

"
____
iv
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MM.
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| U.I
tmufi
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FIGURE 4.20
i MIBlJBI WPT |-3i-Hil%l-g|w| -?i r|st7,|-|..|j fV .| .|E|

-
! M .jiyial Bj i|fc|
.r
lOmm* I "
I Ho I
FIGURE 4.21
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ASPEN PLUS
203
rrrvJ
|ti1t<i of a DUinUtlon TrtU
voilM-CM otir*-!
MCW-aetrr i<ol( -OtNSrrr- tuol' c-ji
'
for Inpm: Ho1
Stream report ct
xnltiwi: o1t fli

SOLIDS 1MMCAMIC
W-SDUKCS
Wll
/ -QOWWS
SOLIDS
INOtMMC
CI C2M ( 1 ClHt
'
1C4 C4H10-2 i
' C4N10-1 /
IC1 CSH12-; ' ici cvai-i /

MCt CftfU-1
LCMMKT
1LOW C Il-e4 O'JT-O) Bl
.LOCK C4
ukk ci
IWt} O'.n-.oi in-c; out-03
M 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
9
[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 purifies 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

Block B10
Bll
Pressure (atm)
Condenser
20
75
.
Light key (LK)

99.9% of HC1
Heavy key (HK)

0.1% of VCM
Reboiler
22
8
99.9% of VCM
0.1% of dichloroethane
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.
,
,
ASPEN PLUS
205
r .ii.-i.*.
i
Ti 3
: ; :
. i i .rj 3
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
ti
ED
413
? 4f
FIGURE 4.25
206
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) one Tump type pressure changer (B5) two T TWIT type columns (BIO and BID one TSplit type splitter (B12)
1
'
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 fill up
several input forms one by one.
After creating the flowsheet 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 ID: ANYTHING Project name: AS YOU LIKE

ft* Edl . Dal* TotU f*jr.
linry
Wndw
Help
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_
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itm&iB
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irouldars
Sf>ec/>awrn
fwiT
Input mods
Sueam das:
3
Flovbuc
31 3
it Jj Pew Oiara*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 *jJ .] r5h-|ftlN|w| mj rj J_iilj _J

-
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t lei,
il 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).
'
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Tm>
V<
tat,
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-*k
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.1
FIGURE 4 27
208
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
Data
(ComponaO Spooftoiioni . Dal a Bnnrasr)

fkn Plot Library Window Hdp
_
ma
Tods
510*101
Tii.J J
JT
Setjr
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Selection] Pelidftum | Noraiorivenliona! j-/Dalabanl s |
Define comp*nli Componerit ID
::h4
Soedicatona
0 Q
(
Smjiaion Options Slrean- Class

Custom Unrts
Type
Conventtonal Conventional Conventional Conventional
Comconent name
ETHYLENE IHLORINE
Foirtiula
C2H4
ri;
r :h4
.
J/) UrUs-SS
Q Report C ions
Cemporwrti
CL2
C2H4CL2
1 2-DICHL0R0ET
VINYL-CHLORIDE C2H3CL HYDROGEN CHLC HCI
HCI
Conventional
Lg l-End Propert.es
*
>
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Petrc Cha cterzatoi

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EOCorrfgurabon
z1
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fif
Matei.at
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FIGURE 4.28
Aspen f\j - VCM [|
Aspen Plus
9 C . '656
In the subsequent step choose Properties/Specifications to set the property method. 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
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FIGURE 4.30(a)
ASPEN PLUS
SlMULVnON OF CHEMICAL PLANTS
209
IM
tp
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c|g| ni--|fcl%l-3M ml
M "I ?l
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in fHMM
a o
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FIGURE 4.29
|i*lB|
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FIGURE 4.30(a)
210
n.
PROCESS SIMULATION AND CONTROL USING ASI KN

Stn.l*>on
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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 flowsheet 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 fill 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

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212
PROCKSS SIMULATION AND CONTROL USING ASPKN

jag|y| I I ite|ll8| ffj aMfkltKH H 2J-Liil)-2J iil -I J
1"
Read arts
Compwienl
C2H4 12
i i
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*
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r flMCtors occu teiiot
Spec Group)
Si p
[i
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ASPEN PLUS
213
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214
* PROCESS SIMULATION AND CONTROL USING ASPEN

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215
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FIGURE 4.31(1)
ASPKN PLUSIM SIMUI.VriON OF CHEMIC-VI PL\NTS
217
uMiei
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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.
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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.
,
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FIGURE 4.33
ASPEN PLUS
219
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.
.
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FIGURE 4.34
To obtain the input information of the present project, select Input Summary from the
View dropdown menu (see Figure 4 35).
.
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sntew CiiM
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n -ncw cl2 y>.
ctorn'tr*
UOC. BiO MT,j
FIGURE 4.35
220

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 after developing the process low diagram in the f f
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|
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
Component
Flow rate (kmol/hr)

10
95
150
n
-C4
25 10
100
/i-C3
n-C 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 f
the top stage and the pressure throughout the column is 2 atm.
V24
COMPRESS
FLASH
STHiPPER
FIGURE 4.36
A flowsheet for flashing and stripping 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).
'
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 (by perform the seneitivity aaalysifl to observe the effect of the second column
efficiency varied from 20'/. to 10091 on the propylene mole fraction in the
distillate
222
4
3 The hydrogenation of aniline produces cyclohexylamine in a CSTR according to the following reaction: CgHgNH;, + 3H2 -) CgHnNHs
aniline hydrogen cyclohexylamine
To simulate the aniline hydrogenation process using Aspen Plus, we develop the
process flow diagram as exhibited in Figure 4.38.
FA
C>-I ANILINE
PUMP
S-o
C>-| HYDROGEN I-I
El
CSTR
CD-
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 specifications, shown in Table 4.6. f
TABLE 4.6
Stream
Temperature
(0F)
95
12
Pressure (psia)
100
100

150
600
ANILINE (pure aniline)
HYDROGEN (pure hydrogen)
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 irstorder in aniline and hydrogen. The reaction rate constant is defined 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
ASPEN PLUS
223
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
column at 330oF
A flowsheet of an azeotropic distillation process
A feed stream, namely FEED, enters above 15th stage of the azeotropic distillation
and 90 psia in addition to the flow rates, shown in Table 4.7.
TABLE 4.7
Component
acetic acid
water

2700
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 flow rates.
224
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
Component
Flow rate (kmol/hr)

35
C3
i-C,
n-C
'
-
50
130
200
c5
6
180
200 5
n-C5 n-C
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
G1
BRI
PUMP
h
C3
C2
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
IK
Heavy kev
(HK)
Condenser (type)
4 (partial condenser with all vapour distillate)
1 5 (total condenser)
.
Reboiler
Cl
99
of r-C4
1% of i-CB 21 of n-C4 4* of n-C5
C2 C3
99* of t-C4
15
.
99* of 1-C5
3 (total condenser)
TABLE 4.9(b) Block

Condenser
Distillate to feed ratio

(mole basis)
02
.
Pressure (atm)
2
(type)
CR1 CR2
Partial vapour
Total
05
.
15
Applying the Peng-Robinson property method, simulate the separation process

4
.
to compute the flow rates and compositions of all product streams. 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
mtrogen
Flow rate (Ibmol/hr) 100 300

0 1
hydrogen
ammonia carbon dioxide
A flow diagram for the ammonia process (Finlayson 2006) is shown in Figure 4.41.
,
B '
m-<
H
-
0
ED-0
Bl B2 B3 84
H"
FIGURE 4 41
A flowsheet of an ammonia process
226
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 efluent 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 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 , 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 file containing the flowsheet is opened in Aspen Dynamics the default control structures are already installed on some loops Usually, level, pressure and temperature controllers are included where appropriate However these default control schemes can be modified or even replaced 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 specified and the control structures must be devised For steady state simulation using Aspen Plus the size of the equipment is not needed, except for reactors. On the other
behaviour Aspen Dynamics
hand
for dynamic simulation using Aspen Dynamics, the inventories 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 need to choose either simpler flow-driven dynamic simulation or more rigorous pressuredriven dynamic simulation Pres ure-driven simulations include pumps and compressors where needed to provide the required pressure drop for material flow Control valves must be installed where needed and their pressure drops selected For flow-driven
.
simulations
however, no such arrangements are required.

229
230
In the present chapter, we wish to study the dynamics and control of the lowdriven 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 esteriication reaction between acetic acid and ethyl alcohol. acetic acid + ethyl alcohol f 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 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 effect 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
L .H
1 I
M*l oKlfcl MwiH -|

! -i I i
I I I
-I J
o-tt
rt m mots; am -
bHft mm
:_ 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 specific 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. f
Copyrlghiod material
232
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,
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Fot Help prws Fl
,
Start I r-
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aw 2 - MCTtcB W . | - Aijob/tarotei Pro(ett . |
Aepoi Pka
FIGURE 5.3
Connect to Engine
Server type:
Local PC
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

M rn,- 1
.
233
---
-;
e i i i ysa
'
.*
MB
Mtet
acsT
ieo-
FIGURE 5.5
Hitting Next button, we get Global sheet of the Specifications form under Setup folder in the left pane of the Data Browser window. Enter the Title of the present problemDynamic 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-
FIGURE 5.6
234
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
/GbUI] /OWbMoP -/AtcountIngj Di mn'ci |

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-
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'
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. I C(*ftm RMEton | PreiMeChange | Marv ai j Sokb | UwMoiw |
STREAMS
RSttK
nvdd
REtwl
RGbb.
RCSTR
RPKi
Rewch
C \ a FoMan'Aoen us 11 NOM RwpM b ot ntr --
For **> cr-u Ft
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.
.
tfe
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.|
P Gtf<a(eiixlsrJ*Mn-feKirt
tam'o br rcUM r lDcmti itpvt
iWhua
FicMntt*m
P Malt
P Mole r Mm.
RVMlOIMm
TIT fGEfTM
r Urn*
-r. - - -.
Jj
CH
fffaM ftt PQbt. RCSTR HPhg ftfiad.
s -
FIGURE 5.8
DVN VMICS AND CONTROL OF FLOW-DRIVEN PROCESSES
235
Specifying components In the Data Browser window, choose Components /Specifications to obtain the component
wateri
input form. Filling out the table with the components (acetic acid, ethanol, ethyl acetate and involved in the present reaction system, the screen looks like Figure 5.9.
MM
E-sC
aun
i
I
I*
8 O
cmt : ffstnc ff/wa w&mh ai:s Tft
, ,,.
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 -.*
I 8 y Ki)
HflUwj Wfate ffft* t COM, hc IP
FIGURE 5.10
236
Use the Data Browser menu tree to navigate to the Streams/FEED I Input I Specifications
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 j| 3
3 (.-.
T
('-
h
.
* z
i= 3 -
pr
(n -%\
I J
I "in
>
>
Mat
FIGURE 5.11
In the list on the left, choose Blocks IRCSTRI Specifications to obtain the block input form. It is illed with the given data as shown in Figure 5.12. f
# l-s-g-Q-m-g.
j
w> r
'
T*4m ! .
Iff
..-*-. |.;a .l-. |<j
FIGURE 5.12
236
Use the Data Browser menu tree to navigate to the Streams/FEED I Input I Specifications
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 j| 3
3 (.-.
T
('-
h
.
* z
i= 3 -
pr
(n -%\
I J
I "in
>
>
Mat
FIGURE 5.11
In the list on the left, choose Blocks IRCSTRI Specifications to obtain the block input form. It is illed with the given data as shown in Figure 5.12. f
# l-s-g-Q-m-g.
j
w> r
'
T*4m ! .
Iff
..-*-. |.;a .l-. |<j
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 i r i i i
_
51 nMi>H<H
fv
.
3
i lei I
I H .-J JJ -1 J
Pi 3>M
STftfAMS
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
stoichiometric coefficients and exponents in two sheets shown in Figures 5.14(a) and (b).
,
l-i I IT
.1 .IBI
I
"
IBI
.
J
i !
ti i nl
EAC
***
gff
Vftrtc:
ll
CH-
1-0 LIZ U
FIGURE 5.14(a)
238
Mai
1J Mffli MJ ahlahNN
71 f. .1 I
.
1 Jl .! I"i _J El M M
i m I
-
i r
i i i nr
1
issi
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I .<lr:-
UMFAC Grows;
Reaction No fyT
Readmit Pto<k<t
Compgnert
1
1
EKpononi
V
-
Cofr wrKf*
'
.
' v- i-
rv
J 0"
Prop Sett
3 -"EEC j PRODUCT 3 Becks J/j 3CSTR

_
j Ow stry
Resctcr:
w
J
R-l
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
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;
.
.
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i "
.
a P*
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en
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l 0**
(qiw.
>
) FEED
PRODUCT
1
_
-
SCSTR
J Ow-wynn miiii
y Reacscoi
SIRtAHS
J- 90
FIGURE 5.15(a)
239
-.-
I
r
f "
HD->
st e
If
-'
Till
I
py.>-
| MME->w. I C3k-s RMcMn |

pew ac cstr
Ck
. | I
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*0r.
Kmm
i i Q
.
D
.n, am, .. .. -_ |. ij
Pif
W ji
| -ii?i u -J- I .ic- .i-a.-i. ||
FIGURE 5.16
240
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.
.
Fte
&
.md.m.x. 1 - |Ftei.* Sumnr Sreano - DUit Browser) ew D*> Todj Run Lbraiy WMow Htjp
'
.
Setup Omponeras
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1
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I
~
as
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Reacts
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41
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d1
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24.497
.
Sup
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o o
Enthalpy
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180.000 87110 57110
0
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Convei ence
Conv Ortef
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122,890
132.890
Q| Sequence
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id* fan
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.
0 218
0 143
.
EAL
EAC WATER
0 450
.
0 307
.
Q Run Status Q Streams

Convetgence
0 025
.
0 332
.
Jdll
Results Avaisse
Mstets/SpittM! | Seoatatois | Heat Enchangeis \ Cokmra Hoactoti | Pressuie Chatlseis ] Minipulatois ) Sofds | Usei Models |
.
STREAMS
' RSIok:
RYieM
REqui
1 . S -U-E-URGibbs RCSTR RPlug RBalch

C;\ .gFolde<s\A9penPlu3l1 1 : NUM
i
Aspen flu. - SIimSI.. Adohe tolal Pntesai | iS?t}); 1545
RofHeb.ptessFl
| j]Oaiaer5-McmsollW..| 4]Cha(er2-Wt!roseilW...||
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.
Open the Drive and then Folder where we want to save the work as a file.
Type 'ChS S
.
RCSTR' in the File name field.
Choose 'Flow Driven Dyn Simulation (*.dynf & *dyn.appdf)' from the options
available in the Save as type box. Finally, hit Save button.
the same folder within which the exported dynamic simulation file is saved. Originally
many files are saved along with the backup or dynamic file. Anyway, we are now ready to run Aspen Dynamics and we may quit Aspen Plus.
Also, save the work done as a backup file (e.g., Ch5_5.2_RCSTR.bkp). We may use
241
3 ljili<JF;
.
l jlalH
I
9
Tt*-
Ljii=v.
**, MW
CJ Omwrngnt
Can***
I Pc-r; Ctt '-* | MW .V*** Tn
M
-
EAL
WATER
SrniatTi r irTi i -o/r Caned |
Jjj
8 . S -O'll-Ocvi
0>l5-rfco...| *]am2-*n,. \.*]Mll<m,-lic..\\
<,PIU.-C , ';
teJu ft |' 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
3
H SQ
W |SldySl.lc j-J
r -Jt c ioos j a, k it
It*- Lfcr-
f,:*.
Jaw
.
FIGURE 5.19
242
Opening existing simulation
To open the low-driven dynamic file, select Open from the File dropdown menu f
finally the file 'Ch5
52
.
_ _
or
press Ctrl+O on the keyboard. In the Open dialog box, locate the drive, then folder and
RCSTR' (see Figure 5.20).
ij is H *Q
UIMl
-
IS
SSmJatn
> Ft OinMITKt
r -
l-llff.
Chi 5i
. _ _
|.|9.
i
HT
,
CSTR
!; Ch5 EJ BCSTB
_
Hi
*
5
Opin
ICM
U f
. .
ITS
CWn
-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).
fte &* Urn Twh HswhMt jn Wr4 rtft
Li
Tt MM
[MM :"
u
Li
I
lad *>.
'
ft- - .
-Ill
.
..
..
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 reasonably well But temperature controllers often need some adjustments.
.
to work
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
.
244
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.
'
-
.mi
--
w*
ffes
El &
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 difference, the units are not mentioned here
with the values of SP. PV and OP.
.
;i J
.
W ,1V-
>
--
mar
IP
urn
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
-
ira
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 equii2rii (5 J weie elmir.sted LMien has HI *uitUi 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, first double-click on the controller block LCI and then click on Configure symbol (yellow colour) in the faceplate as shown
in Figure 5.26.
I
ll(i*Ha
IS
{Dyn.mlc
mvo t: tin a 13
r tt .t ghF* J i a 'a i'
SsDU 1
.
liBtnted 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
CB'JetiHDaia
o
a F f.A
(MMM
r Dmo>
|a
FT-3
d5
.
FIGURE 5.27
247
variable (PV).
Note that the default Operator set point value is the steady state value of the process 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 sufficient 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
"
]
ft i*
U 7f
3 ii
BLOCKSfTCn Co
mv
Op**to ie* part. jO 314029

Bw
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-
|21083 6171
jiooooo
m m
ConOofc* aon
-
ft fcj
Integrftting tro. Integrating tr Mograt ing fro* Step 3074 Tiw 62 43 to 62 44 62 44 to 6? 45 62 45 to 62 46 6 2504+001 step size- 5 OOOOe-002
step facto
1 5000e+000
accepted
j
wm -.
1*
Wggg [ ' Adotoc Vrote P.o<mc
FIGURE 5.28
In loop 2
reactor temperature.
we prefer to employ the proportional integral controller to monitor the iven.

In data sheet, shown in Figure 5.29, the default values are g
The TC2 is truly

controller tuning
the control performance is not satisfactory.
parameters (gain and integral time) during the
a reverse acting controller. However, we may adjust the
values of closed-loop study if
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 fci
rj a
r ft -jt G,.t|
3 iL Si fi 'i
luwng 1 Rv" 1 FHwng |
0H>
LCI
Ope>ioi ;a>pan p
Mi
Gn
h
-.
tmegral dm
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.
C.>**i Chwi
r Died
Revwte
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0|>e"i Lbra So ve*
OpBoni
Htto
m
alftulation ready for solution 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
Oiaplm
a Iocs
UChajtef S -MoMsflW j
Mobe Pootm PrrfrnJ [
lAjpenOrn-c.
FIGURE 5.29
ftfts
Be
-n Dyn-wwca Ch5_5 2_HCSlH.dyrf

Wew Tao* Run Wndow Help
B # Gi
Q SniMoh
? jDynamic
I)
Bi.ocKsnrncorfKi
Piocott voiabie
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"
o
TC3
Rang* mnum |l2167 2343 |

P Cfetorang
n btTy .us Ct>0>
S- Ktr
Ootore
Simulation ready lor xoluiion 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
tym>cea
I UCh e'
FIGURE 5.30

-
249
are too large ( 100% of the steady state values) It may be practical to consider the following constraints.
.
As shown in Figure 5.30, the default ranges for both the process and output variables
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.
Ull
ftv Ut Wnd?* He
di*h
- a
<e [d
.i h oaga feslaiimm :
r tt 7t teiloos J ,w ii 5V s-: ;
[M
jl M253G
h h
PBODUCT)-C|>
S
91
Oulf/
|1SBI27
firty. BUMMM
l-wtions <"-ie nol elikinstd Ivrrsuse they had residuals over le-OOS h total ol 109 equations '29 S;| vete .Uaiaatd StTOlation has H'i vri*&lM 260 aqtrnttoM end 989 iior-:eros
Vital
iVnw:*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).
.
250
o *y .a
w |n,..mic
,r
'
..- j 1 1t5) |MMlS3R
Editing Siaulacion Validation coBplete
urrent snapihois havo been saved to 11 le (r-pAflOOO anp
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
*c
Re-start Simulation
601
lacJt
Wnto*
IMJSI
Run
Pause
Rewind to a saved Snapshot
FIGURE 5.33

-
251
time period, select Pause At from the Run pulldown menu or simply press Ctrl+F5 on
the keyboard. Then select Pause at time, type 5 in the field or whatever we want and
click on OK (see Figure 5.34).
yrr&ntmsmfmsssi
a
,
We wish to carry out the simulation for a certain time, say 5 hours To fix up this
.
:
s
,,.
1.1
uai
,
MA
c;
|W)-
O -
jj j ' (fnci cil C,
ftC5tR
S i
i ;;;.-,;"',:::/;;:,:'m;.;:'::;f iv,i:
,
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 (see Figure 5 35) so that we can properly observe them together.
.
Dynamics window
Eiaagi ' 'i Baaaa wpw!

.
k* h s a
w [n
n
i
3
* {MB "t
B9t> esaspa
r nit a(o 1]
<
n mm
MUUI
.
ma :
ja_!J
nMm I fmg, |
<
! r.j J
F
>
.,,
pi KJS
,
|r~
1"
l 1
~ -
togji I fat.
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
.
reactor liquid level from 0.914029 to 1.1 metre at time = 1 5 hours. Typing the new set
of
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
it
3
*
ifl)_l
T tt Tl' id 10 05
! Rowsheet
Coopoient Lots
*
} Dagncsl'cs
SS
OPgHi
IT
1210356171
"
t'POC
to
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Tuning ]
flanges | Ftong |
Olhw
Owralw set pewit p 1

Twmg paramtf er,
|21083.61
lrJe.;tdlme:
De<iv alive time:
RCSIR
1 limtjo
I"
C; Plot 8LOCKSCLCl-l ReiaPlol
| l
"
Cpndolei adkm :
(
-
Direct
Reveise
If5
:o
-
'
11
||
4
4
97
obi
0.5
15
25
35
45
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.
for the changes through the manipulation of the efluent flow rate. This, in turn, wi disturb the reactor temperature and loop 2 will compensate by manipulating the hea
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 compensate ll
t

-
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;
;-
BEDS
J _JSS_J
FIGURE 5.37
Viewing servo performance of TC2
As described in Figure 5.38, open the faceplate along with Configure 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
_
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o
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Q Table STHEAMSfFEED") Re*

Description
F
KH
Value
linrt*
Tolnl noSe ItoW

T JalfTiaaa Bow
210836
fm
T
P vf
75 0
.
Press U'e
bai
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oo
-
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Mohii msight
uebnictan
87 57I
Rho MM
16 3267
52708
mn
0t25
ZrfEAC
Ucte rrocton
Lkie Iradton
Solver ftXlOTrl
Componert LMs
OUgnogucs
GMmIc
ntegrating fra 4 96 to 4 97
1
step tactor* 1 S000*000 accepted
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.
Run complete at 16 45 29
il
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

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
r u
255
are not
7 I Dynamic
-
loo?
scripts
r
-
]
-WOO
VUue
:iC3=
| Unrrt
- Mf
RM Ot*
-
trx*'*-**
C
| _
fi
p
-
Prevc
j111*58
t*r
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in
'1
U
T mpeiatuie loop
nr.urT
r fidcn
0 *2f
ijnctVnc-l
Mofen-tdian
|0.B
imMV-nc*
53
So
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.
.
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)
. .
he column has total 25 theoretical stages (including condenser and reboiler) and
256

Feed Specifications
TOP
Temperature = 225 F
Pressure = 21 psia Feed stage = 13 (above stage) Component

benzene toluene
FEED
Mole %
45 55
BOTTOM
FIGURE 5.41
In Table 5.1, the reflux drum and the base of the column (the 'sump' in Aspen
terminology) are specified. It is fair to use an aspect ratio (length to diameter ratio) of
2 (Luyben, 2004).
TABLE 5.1 Item Reflux drum
Vessel type
horizontal
-
Head type
elliptical elliptical
Height / Length (ft)

5 5
Diameter (ft)
25
.
Sump
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 logmean temperature difference (LMTD) assumptions for the total condenser. Actually the LMTD is calculated using the temperatures of process fluid and coolant In the simulation. assume constant reboiler heat duty and apply the UNIFAC base property method.
,
.
(a) (b)
Simulate the column model to obtain the products mole fractions. 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 flow 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
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.
From the Model Library toolbar, select the Columns tab. Place the RadFrac model on
DYNAMICH AND rnNTKOI, OP KI-OW DIUVKN I'lfOCKHHKH
257
imaimAJmm lAdftiauugj*) ji.ojjiIzJII
o:
-i
twin
'
TmT
FIGURE 5,42
Ah we hit Nt'xf followed by OK button, the ROtUp input Corni appcarH (hm* Kitfun!
Iniportuntly, une tin- 'Dynanne' input noxle
mltiMI
.43).
The diHtillation problem Is tilled oh: 'Cl0S6d-l00p Performanct; of a DihI illation ('olumn'
lit
I:: | n
I
NiMH (
FIGURE 6 43
258
PROCESS SIMULATION AND CONTKOI, IISINC ASPEN
Figure 5.44 includes the Aspen I'lus (iccon/ilin

Accounting sheet with any name, number and ID.
t ft vW o**
infornuition We can fill up the

.
'
-
i '1
mm jj
.
ai LiinsMibd ad j ..ijj-j -j ai
jJgjJT; j Mil illR"ZI uL..]
O o
Ma - J-.
f>
I I
"
MCM
!(. [Ilflll,
fToirTiTTT
J M.>i*t
4 M 1><
1 DSTWU
fa -1* prt-M 11
DHH
Uvain .
nwJFp
.ii*;i
MJ/tac
SCr-oc
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P*iefi
BvcWi*
C - 0 :s*Kt5-/Jeei". (Vfl !1 I
HUM
(leoulcillnM
I -l|a. n/ ' Hi'W.O | ' } rhjiHg fi tVioimVcrt [[ Aapcn fits FIGURE 5.44
?t>8 111'
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 Otfa
fir
F*<3
lrtv
Wtwjo-
Hrfc
i MHl iJMl I I I FV JJ
_
"" .
BMSLSfcalgl "'I "'I

_
I I "I "I ~l
LLM_Lia|
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FlipdrtOplta
351
bnnil | rbwihWI | BM ./SIiiimi| Piorniy [ ADA |
Itw* lo N> rrlaM i i>tMn> ixoa)
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'
w.
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I!
.
.
1
P W .Hum.
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
0 H""
d .Igil
lal -iW
Qp
him nl
ni.urm Itarimi Ophor*
rrniioii
mo
I Ml/ tC Qrm)
ml Mi
Wiwii
d b
riti.;
li. i
Muifi
..ti
feMtoi
0oN>i>
FIGURE 5.46
scrolling down (see Figure 5.47). Specifying stream Information

,"
choose Properties/Specifications and gel the property Inpul form. a property method originall} Includes several models for calculating the physical properties For the distillation example, set the UNIPAC base method b>
.
,,
>(. li'i on Hm- Nil

,
in Aspen simulation
Values lor all State variables and teed eompo Figure 6 'IH
next, (.pen Streama IFEED IInput ISpecifications sheel Entering the given
.
ion Ihe slream mpnl lorm looks like
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
.
>

He E* Wew Oati Tooli ft FW Ut*ry
Window H*>
JjiJ
_
J J
LJ~- I I I
HU
0
B |
I
PtocMt IVP*
Jje JhJill -ZliiJuLJgij

Relerenced |
Slream Oae*
S<i)*ww
Piowxtyrwthocbt moded
Picwtymethod juNiFftr
r Modlv P<ope<iy rmdett
Tj
Q Cutlom OMi O Repwt Opicna
Be meitwd
jufJIFAC
Heniy corrvcuwitt [
'
PelTOteum cflloHston option*

~
Fiw-watm method
b t-end Pfopii
Pe<rfocnpOfirt9 ;
Wle< otut*y Etecddyte c ciisbon option:
3 3 3 3
O MrCorpi
Chamtiiy ID
17 . : .
Potjma
_
B
.
fl Property Method!
_
EHi
Un
9 CD Wotecd Slftjcti
a
Qt
r j Adveoced
| Prap-Sts
LJNIFAC wlh AedKrh-Kwof.g elation d tlate and Henty't law
hpot Complete
[it*
STREAMS
MbMi/Splilleri j Sepstfon | HhI Exchangees Cohaint { Readou | Piettue Changeft | Manptiatori | Sokh | UteiModrt |
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
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d|b;|h|
l Nel ?! akiahl-gl i n.|
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J*J <<J( i
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3 >>J Q|aJ n J
EOOpiw: I
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FlsshOplioBt I
ConpaTerts Speofcebont Asw'Bend
Siij!limfm )yMIXED
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FIGURE 5.48
DYNAMICS AND CONTROL OK KLOW-DKiVEN PROCESSES

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DYNAMICS AND CONTROL OK KLOW-DKiVEN PROCESSES

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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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lf*Jtrcr*s*j-.
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FIGURE 5.51
Wo6e AcroM Pr
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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 difference 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 specific heat capacity of the coolant is fixed during a dynamic run (see Figure 5.52).
,
,
For the reboiler
simulation. However
it is fair to use constant heat duty computed in the Aspen Plus 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
BOL \W
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FIGURE 5.52
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FIGURE 5.53
264
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FIGURE 5.54(a)
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FIGURE 5.54(b)
265
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
,
(b) Exporting dynamic simulation: For process dynamics study, we wish to export the steady state Aspen Plus simulation into flow-driven Aspen Dynamics
simulation giving a file name of'Ch5
window
.
shown in Figure 5 56, is obtained. At this time, we should save the work.
.
53
.
RadFrac'. Then close the Aspen Plus
266

E* Vte*v Data To* R Ubr*v Window Help
1 Lil <iJF
Setup
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Volume Flow ctitAm

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.
Convergence
ConvOder
-
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Sequence
BENZENE
TOLUENE
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.
270.000 330000
268,964
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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
267
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r tt
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-
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ai|oo5 J ii. i -ji f
LCI
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o-BOTTOM fO
LlJ
Siaulation ready for solution
7 equations were not eliminated because they had residuals over le A total of S32 equations (38 b'/.) were eiinmated Sinulation has 1991 variables. 1484 equations and 6219 non-zeros
005
IBjnsilcal 0.(10
Aspen fVjs Mty8 [>i
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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.
268

*
ASPEN
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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) 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 Anyway, move the pointer and release the mouse button o n the 0fe g wo select the dastillate compos.tio
*
Ixpand Stream Types under Dynamics subfolder and hold down the mouse button he ControlSignal icon. As we drag it onto the flowsheet window, many blue an
-
on
ow
OutputSignal originated from TOP (stream) block. To
fraction' by description in the Select the Control Variable

W lOyti.Mc
DRTV rPPn cc of benzene as controUed variable, choose 'STREAMSCTOP") ZnCBENyFTWv
CONTROL OF FLOW
269
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5 6of
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it snapshots houe been saved to lile snp*00l0 I
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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0B'<BQi
1%
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ri
FIGURE 5.61
270
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
1484 equations and 6219
non-zeros
ent snapshots have been saved to file snpAOOlO snp
I
Ready Jl focal Dynamic at 0 00
aart| p
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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 connection to InputSignal2 port. To use the reflux flow rate as control variable, select 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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272
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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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4 .-
FIGURE 5.66
273
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 (reflux flow rate) at steady state is
bias value.
usually used as
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
ranges imposed
default
on process variable and controller output.
274
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equation B10CK5CLC1 ) CalcDillTer* moved tro ELSE branch to THEN branch equation BLOCKS( LCI') CaicPropTr HMd (ro. ELSE branch to THEH branch has 2031 variables 150S equations and t>32i non-zeros
Ready
'
5.11 r
FIGURE 5.68
However, here we use the typical variable ranges, shown in Figure 5.69
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type Explicit
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type Linear
Group 671 already converged living group* 672 to 601 ol type Explicit Linear
fun coaplete at 11
16 14
J
..
/is
FIGURE 5.69

-
275
Process variable
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 experiment 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.
f
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 flowsheet 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 variable set point and controller output with respect to time. Before running the program make sure that all the items in the Configure 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-anderror 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
DgB a
IB
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r a it Mi-nr 2} i s
jtOTTOMfO
lor* 1 SOOOd OOO
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FIGURE 5.70
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3 S H (i
V?
lOyn.mk
t Eyewntcrari
Tyl-o
--
>o
ccr
HQ-
-. '
33
31
'
il
3
Z-BKZE-J
05
If
3S
<
Time Hoiks
1
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
277
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
%
r :: f
|M*.. r 3 .
- >.
"
nvm awocigi
_
55 i;
7T i '. i
: 'w.
-
f
r
..
c
-
MM
.TIM
mmm
lia
EkMIMi
tl A
I..
li.c...
"1 .MtMlM
lftj WMtlOM m4 M3 mm-two*
FIGURE 5.73
278
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
He Mew Toots fen Window net
-
MS*}
| Dynamic
CBS'S aiaocsH
=inj l
_
"
Tt
(0 05 3 i i W
1*
LCI
>o-
%j am
SP|
PV;
{33-0
--
0PHH
100025 I00O25 |12117835,;
LCJ
>a-j
CCT
>o-
BOTTOM K>
Tunuvj | Ranges | Ffenr
Olha
Opetatot set poi* (0 0025

Turwtg paameten
jbmol/bfrol
63
St.
[l1613W7r jBtu/W I
.
Gart [To Iniegrafww. flO Owwabvetimei [o

Cortiolw action Drad
s.
f i
11
>
-
i
1
r
0 0 5 1 1 5 2 2 5 3 3 = 4 45
,
r Reverte
S?
If
5
2.5
13
Time Hours
Time Hours
TEE
teed
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 pressuredriven 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 = 25C
Pressure = 3 bar
Flow rate = 100 kmol/hr
FLASH
>o
PI
Component
benzene
Mole fraction
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

5
.
action and ranges imposed 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 Cold Stream In
Pressure = 14 psia
Temperature = 2780F Pressure = 500 psia Component

toluene methane Flow rate
I
HOT-OUT
Cold Stream Out
(kmol/hr)
200
ICOLD-INf
j cold-out hoi Temperature = HOOT

Pressure = 498 psia
Dead time pi
2300 1000
hydrogen
HOT-INK
ii Hot Stream In
>AT
>o
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, countercurrent 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.
-
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 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.
m
Input 2
>o
Ratio
PI
>
A flowsheet of a mixer
| POT >
Input 1
FIGURE 5.77
DYNAMICS AND CONTROL OF KLOW-DRIVKN PROCESSES
281
The input data are shown in Table 5.2 for simulation.

TABLE 5.2 Stream E W
Temperature CO
50
Pressure (aim) 1
1
Flow rate (kmol/hr)
Composition pure ethanol

pure water
Pe
= 100
60
= 150
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
Free
Free
>STREAMS("E ) Fcn("ETHANOL")
.
*,
100.0
<Ratio.Input!
100.0
Similar table for Input 2 is obtained as:

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

TABLE 5.4
Description Inputl Input2 Output Input signal 1 Input signal 2 Output signal, Inputl/lnput2
Value
100.0
Units kmol/hr kmol/hr
150.0 0 667
.
Use Initialize Values button and incorporate the given tuning properties before running the program.
282
5
PROCESS SIMULATION AND CONTROL USING ASI'RN""
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 Feed stage = 1 (above stage) Component
c,
Flow rate
Dead time
Noise
Pi
(Ibmol/hr)
60
75 150 175
>o
c2 C3
n-C4
n-C
5
60
35
n-C
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

rate of 750 kmol/hr at 800oC and 5
.
shown in Figure 5.79, with a flow 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 flowsheet 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
O
1 phenol [ 1 FEED h
FIGURE 5.80
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)
105
105
Pressure 'bar)
14
.
Flow rate
Mole fraction
10
.
PHENOL
FEED
100 nrVhr
181.44 kmol/hr
.
14
.
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 reflux drum and sump are specified in Table 5.6.
284

TABLE 5.6
Item
Vessel type
horizontal
-
Head type
elliptical
Height /Length
(m)
15
.
Diameter (m)
0 75
.
Reflux drum
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
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
fluid that flows through a valve should normally be liquid-only or vapour-only because
the two-phase flow through a control valve is unusual
.
the pressure drop across a control valve should be greater than 0.1 bar. The
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
fluid streams such that the controllers can manipulate the valve positions.
previous chapter. Therefore
simulation
.
The simple flow-driven dynamic simulations have been discussed in detail in the
,
here we are intended to study the pressure-driven
A reactive or catalytic distillation column is exampled for the rigorous
pressure-driven Aspen Dynamics simulation as well as control.
285
286 6
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
Feed stage = 10 (above-stage) 0| METHANOL

PUMP
Ft
Jy
tCl-fpisT-Q
CV2
Butenes feed (vapour)

Temperature = 350 K
Pressure = 1 aim Flow rale = 1965.18 kmol/hr
CH butenes]-1
"
1-H l-IbotI-<>
'
CV3 RDCOLUUN
Feed stage = 11 (above-stage)

COMPRESS
Component /so-butene (IB)

n
Mol fracl 0 36
.
-butene (NB)
0 64
.
FIGURE 6.1
A lowsheet for the production of MTBE. f
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; Rehfinger and Hoffmann, 1990) are derived in terms of mole fractions, instead of activities (products of activity
coefficient and mole fraction):
'
Forward rate: rf= 3 67 x 1012 exp

.
9244(M
RT
IB
xMeOH ,
VMTB!'
Backward rate: r,, = 2 67

.
x 1017 exp
134454>
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 reflux 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-purity NB. In Table 6.1
the reflux drum and the sump (the next-to-last stage in the column) are specified.
TABLE 6.1 Item Reflux drum
Vessel type
horizontal
-
Head type
elliptical elliptical
Height/Length (m)
2 22
.
Diameter (m) 1
1 1
.
Sump
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 f
(b) develop the control configurations 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
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 l I
L I _!_) *d U-i-lfcl I M
l I HI
_
3
_
,
I I I J jU J J
J
J J J
U ali
mi in
>..
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 flowsheet 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.
oif - *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 Specifications 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)
290
j r
_
I I -I 1
;
,
| .imi
M MgJ
Jj
nafhi
0
>bJiiiF-a
P lr<Ulil>tmd.CTvtlci.i
FV>-.bM> fmctmUm SUWlflHllH
CtiHomUtii Optioni
f7 Mod
P Mod
Iff [.''.>.
r ...m .
.
3
.
r mwi P S-dlQrt***.
r mm r Stdklvcim.
RosrMru
P Conconni
2o Hnw or hKbm
[V
STREAMS
FaHte
.
.
Pmp
| ., , v . | --vr. w
Conif MCow
| CdUHM | RtKicni Pimtw*ClMngnt | MwdMrt | Scfcfc | UiaMotWi |

fV
(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) -ll
3MS
MEOH
h
KTHANOL EQWmfMi
i-BUIEHE
Hti
NB MIBE
C4HB'1
J PwoCh.
J Con
- . PA
J Si 35! I u'*
tdMAriMi | SwMka. ) KMEKtwp> |
4 . | fiMcm Pimm Ounv" |
i triiiiin
FIGURE 6.6
291
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
'
1 1
1
J 3
J
1 1
J d
1 I 1
r
3 J J
tfclj
l f
| HatfE****
i CAM | fiuuc-
* -Olinii 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
9 S3HS
r i j-j-i ..if;
wo
3 ) qU I
1I
I
-
ass
.
FIGURE 6.8(a)
292

E V*. Dj 1b.
i r
m i nr
-
i ei
) mum* i
i
i
m mi
DgrfcR
FH | |..|[Tr
HPS
J r:
la
-.
!.
il
1
Pi9
"lur
mibe
'
i
_
SJIENIS
1 E0v
.
j
Fl
*
-
li
FV
ICIHMBI
Res*;
Evripn | C<An | fUicioa IWttraCkwm | > ,,...-. | cbk | 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
la
fir-.
afbRTr
JulF
321) QLJ!!!!
3
q hm
J tUIENES
1
S PI
_
J POUI
COMffltSi
Salup
f
fi
COVmUk
tO Ira'
I iaomMt | He Ertw vi | Coimi | ne*clait Plei Ch< | MmWcn | St*df ) U (** |

-
CH
MM
FIGURE 6.9(a)

Ffc { Am l "** If*
"
fV LtMV
r Or.
ir LUJV
_
'I'N
Mai gH
0
-
a, n
A. F\
ij M(t>nOL
ai n
ii w
a a
a
a
Bo.* O(*ora
3 MmnMtatm p
s
_
t'J in"
Spk BMW
J
Pm
w
Iflpul Btae Ophorj
tP .rtNei
9
i
IQlfVJ
snear O-.ji
5TREAKS
_
Mm
fSi*
SSc* D4M* AOMiM]

.
f o Mtfc sen R A.per. flu, t.Pbl
MUM
FIGURE 6.9(b)
Ed|
Pfc, Liv y
K-
ABE h r
nmm
i i
ibi "Pi
1 hl J J J ill
i Dial n.i
| - 'M M
nipMii|tH
r c w**,
f -3 *
1 1 r
II
[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
E*
C* Tadb Rrf, Plo i1Mr wnx*. h*
"
r CAii
la tMtodoUM Peru-Mr
.:>-:
J
-
2] Kea*:
H EO-M.,
STfitWK PaM essr;
Mm
Ffp*
SSt* "
'
jc* ?Owii
_
.HIM
FIGURE 6.9(d)
When the data entry for the feed pump is complete Figure 6.10.
the window should look like
l r
_
LLJV
'I -isi
a i
-'
-r -
m
RiMP
O Sim v
_J
I MMMta. I tekk I JM-M I
TRDMt
FIGURE 6.10
295
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|.. ji :.
1
-5j
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 r I M PT \ -m
I I"! .! wi
'I J
.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.
.
296

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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
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FIGURE 6.14(a)
DYNAMICS AND CONTROL OK PRESSURE DRIVEN PROCESSES

-
297
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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.
.
Vmm Da*
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FIGURE 6.15
298
Choose Blocks/RDCOLUMN/Convergence and fix up the maximum iterations to 200 (see Figure 6.16).
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FIGURE 6.16
In the next, dick Dynamic tab wader Blocks/RDCOLUMN The design specifications of the reflux drum and sump are reported in Figures 6 17(a) and (b).
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Fir EA View Data Took Run PW Lbmy WMm Ht>
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FIGURE 6.17(a)

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Hydraulics sheet incorporates the information displayed in Figure 6

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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
.
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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).
.
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FIGURE 6.20(b)
Running steady state simulation and viewing 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.
,
Results
302
PROCESS SIMULATION AND CONTROL USINd ASI'KN

I y I'M i hi- Mojiin i) (Reiulls SummAiy Slic)mi Ploi Ubtaiy Window H*lp Data Hrowsni|
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NB
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26 425 609 253
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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 flowsheet 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
study of the prescribed catalytic distillation column.
Dynamics.
However, there is a scope to modify (or remove) the controller and its related items.
The Aspen generated control loops defined below should be used in the closed-loop
SAND QNTROL OF PRF.SSURE-Drivkn PRnrPgg,Q
t 303
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1 nr- <nm
teTH
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-,.,
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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 itten for Aspen Dynamics direct control action the controlle r equation can be rewr "s Qr = - 47 48 - Kc {PSP - P), where 47.48 is the bias signal (Vr.s' dy state position, e from stea gn indicates heat removal (cooling operation). If we mov lue becomes negahv.. < is dear that when pressure (P) increases, the error (PS/. P) va
**
-'
.
'
d ultimately
the neRative vain., ofQc decreases. Originally, the negative value should
304
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 flowsheet 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 purify the product and recover the reactant for recycle. Obviously the 'excess reactant' flowsheet 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
305
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 from the upstream units is not free to be adjusted. If this is not the case then alternatively the
, ,
so-butene concentration, instead of methanol concentration may be controlled on a

,
reactive stage by adjusting the butene feed rate. 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 flow 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. Chapter 5 presents a detail of how to configure a control structure in Aspen Dynamics.
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) Controller action: reverse
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/
,
RDCOLUMN/Profiles with opening the Aspen Plus simulation file. Then select 'Liquid'
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
Jfl PUMP
RDCOLUMN MEOH
0
MB
HTBE )a;o**55i
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FIGURE 6.24
The controller CC4 is tuned by trial-and-error approach and the parameter values
have been chosen as:
Proportional gain = 5 %/% 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
the reflux rate and the distillate flow rate can be adjusted by a ratio control law to give 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 Bottom section
307
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
rate is flow-controlled. The liquid levels in the reflux drum and the base of the column
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).
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FIGURE 6.25
The details of control Loops 5 6 and 7 are presented below.

,
Loop 5
Controller: FC5
308
Controlled variable: molar flow rate of butene feed (FV)

required to drive a compressor)
Manipulated variable: brake power (shaft power or brake power of motor or engine
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

Proportional gain = 5 %/% Integral time = 5 min

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

Proportional gain = 5 %/% Integral time = 5 min

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 different 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 finally select the item that we
want to access.

EBB
309
1 r5fl
ill 1
jf5
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-
o5 3
4
-
x-i
mf
Lii
13 iJ
FIGURE 6.27
310

.
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 configure 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
been depicted in Figure 6.28.
mm
Fte View Took Wtxjow Heb
for
all composition controllers. The effects of disturbance in butene feed temperature have
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r tt Tf Gii|oo5
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83 84 85
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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 flowsheet 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)
Temperature = 90X
Pressure = 1,4 bar Flow rate = 120 kmol/hr
CV2
cCH liq-mix fB-[fgiE

CV1
Component
ethanol
1-propanol
Mol fract 06
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 styrene hydrogen

,
ethylbenzene
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.

f
,
-
(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 !
cv
-
"
[pptI
|feed|-1
RSTOIC
COMPRESS
FIGURE 6.30
6
.
A flowsheet for the production of styrene.
3 The hydrogenation of aniline produces cyclohexylamine in a CSTR according to

the following reaction:
C6H5NH2 + 3H2 -> CeHnNHa

aniline hydrogen cyclohexylamine
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 F1
FL
P1
CV1
CV2
PUMP
>
<
F2
>ff J
CV3
1 PDT-LIQ \-0
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)
40
-
Pressure (bar)
7
7
Flow rate (kmol/hr)

45 160
Pure aniline (Fl)
Pure hydrogen (F2)
12
DYNAMICS AND CONTROL OF PKKSSURE DRIVEN PROCESSES

Data for the Arrhemus law:
313
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 firstorder 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
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 pp 4625-4640.
"
Ind. Eng. Chem. Res , 44,
Luyben
Flowsheets
.
W L. i2004i "Use of Dynamic Simulation to Converge Complex Process 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 Sons In< . New York
. .
11998)
"Separation
Process Principles, John Wiley &
'
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 AnounlinK mformnhon. I I. 'M. 58

Acetone, 93
Compoaonl ))>, I Ml
(
omponpnt tijuiii<, I it.
('onfiguro dialog bosp li'io

Control pnncl, 20
Control vnlvi'M. 22!)
Activation energy, (>r>
Adsorption, 100
Aniline, M ArrhrniUH Inw, Bf*. 70 ASPEN. :J
(iontrol modali icon, 2(18 ( outI'ol Mi mil icon, 2(18

'
(!yclohoxylamina, (ir
Aopen Aapen Aapen Ahpimi Aapen Aapen Aapen
batchCAD, 1 chroniHloKmphv. I Dynamica, 1 22!) Dynaniica HYSYS. 1 Plus, I polymers pliiH 1

,
.
cnniei', 7, 51
1 )((>( lianisuir column, n>7
DcHi n ipac, I7(i Di'w point, 35
Anpcn prnpcrl ich I
Direcl acting control, 243 Diaplay plot, I7i>

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

,
Binary diatillation column
'Mth
Binary mixture
BK10 tr>i Block 7
,
\2
I )nvirin tor i r, 100 I )i mn modela, 7
Dryer, r>2
D8TWII. 107. 108
,
Block inftirmation 33
''
'
"
'-Me
point
28
I dynamic mode, 253 i kynumicN library, 2(i7

Dvnn I'M IS. r>
'
t'tnlvtir dialillation 28fi

,
.
OIJIOK 152
flbemCad
Mi hyll'onMtne, 56 rixpOlll'lltN, 2il7
316
INDKX
Flash 2, 3, 7 Flow-driven, 229
Flow-driven simulation, 229

Formula, 116
Fraction basis, 195
Peng-Robinson 60 PetroFrac 108 PetroFrac model 1 48

,
,
,
FSpht, 204
Plot wizard 48. 90, 147 POLYSRK 204 Power law 54, 87
,
,
Geometrv data, 237
Pre-exponential factor 65 Pressure-driven simulations 229, 285

, ,
PRO/1ITM 3
,
Process flowsheet window 9

,
Process variable 249

,
HETP, 287
Hvdraulics sheet, 299

HYSYSTM, 3
Property method 18, 32. 39 Pulse input 253 Pumparound circuits 149
,
,
Initialization mode, 253
Initialize values button, 273
RadFrac, 107
Input summary, 23, 64
RadFrac model, 127
Ranges tab, 247

RateFrac, 108 RBatch, 54 RCSTR, 54
RCSTR model, 230
Ketene, 93
Kinetic, 74
Kinetic factor, 100
Kinetic reaction type, 300

Kinetic sheets, 238
Reconnect destination, 192

Reconnect source, 193 REFINERY, 154
Regulatory performance, 254, 275

LHHW, 54, 93
LMTD, 256
Rename block, 11, 193

Rename stream, 193
MTBE column, 286

Material STREAMS, 7
Measurement lags, 309, 310

MELLAPAK, 287
Report file, 23, 122 Report options, 15 Requil, 54 Results plot dialog box, 251 Reverse acting control, 243
RGibbs, 54
Methane, 93
RK-Soave, 28. 32
Model library, 5 Molarity, 76 Multi-input/multi-output, 243

MultiFrac, 107
RPlug. 54, 78 RStoic, 54, 55

Run status, 62 RYield, 54
NRTL, 52
SCFrac, 108
Object manager, 179
Operator set point, 247 Optimization, 178
Pause at time, 251
Sensitivity analysis 172 Sep 1, 2, 7 Separators, 42 Servo performance 275 Setup, 15 Side strippers 149 Single-inputysingle-output, 243 Solver settings, 13
, , ,
PENG-ROB, 140
SRK, 52
INDEX
317
Stepwise, 7 Stoichiometric coefficients, 237

Stream information. 18. 33
Stream table, 22
UNIFAC. 287
User Models, 7
Styrene, 55
SULZER, 287 SYSOPO*. 18
Vapour fraction 210

,
Variable number 180

.
Vinyl chloride monomer 189, 203

,
Temperature approach, 262

Template. 5
Wilson model 43
,
Winn-Underwood-Gilliland method 107

,
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 variety 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/ting and Computer Simukuon published by PHI learning.
You may also be interested in

Process Control: Concepts. Dynamics and Applications, S.K. Singh
Heat Transfer: Principles and Applications Binay K. Dutta
,
Principles of Mass Transfer and Separation Processes, Binay K. Dutta A Textbook of Chemical Engineering Thermodynamics, K.V. Narayanan
lSBN:')7fl-flWD3-3l.S1-,1
Rs. 295.00 www.phlndia.com

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PROCESS SIMULATION AND CONTROL USING

PROCESS SIMULATION AND CONTROL USING ASPEN

and Optimization using Aspen Plus

) includes three chapters. Chapter 1 presents the

Part II (Chemical Plant Simulation using Aspen Plus

) consists of only one chapter

created a stimulating atmosphere of academic excellence. The chemical engineering

Steady State Simulation and Optimization

using Aspen Plus

Introduction and Stepwise Aspen Plus

Built-in Flash Drum Models

Computation of Bubble Point Temperature

Summary and Conclusions

Simulation of Reactor Models

Built-in Rpartor Models

Sinmlation of Distillation Models

Rnilt-in nistillntinn Mndols

Aspen Plus Simulation of the Binary Distillation Columns

Simulation of a RaHFrnr MoHpI

3 Aspen Plus Simulation of the Multicomponcnt Distillation Columns

Simulation of a PetroFrac Model

4 Simulation and Analysis of an Absorption Column

5 Optimization using Aspen Plus

Summary and Conclusions Problems

Chemical Plant Simulation using Aspen Plus

2 Aspen Plus Simulation of a Distillation Train

3 Aspen Plus Simulation of a Vinyl Chloride Monomer (VCM)

Summary and Conclusions

Dynamics and Control using Aspen Dynamics

Dynamics and Control of Flow-driven Processes

Tnt.roHiirt.ion Dynamics and Control of a Continuous Stirred

3 Dynamics and Control of a Binary Distillation Column

Summary and Conclusions

Dynamics and Control of Pressure-driven Processes

Dynamics and Control of a Reactive Distillation (RD) Column

Summary and Conclusions

Steady State Simulation and Optimization using Aspen Plus

Introduction and Stepwise Aspen Plus Simulation: Flash Drum Examples

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

such as Aspen Plus

(SimSci-Esscor). In 2002, Hyprotech was acquired by AspenTech.

PROCESS SIMULATION AND CONTROL USING ASPEN

GETTING STARTED WITH ASPEN PLUS SIMULATION

INTRODUCTION AND STEPWISE ASPEN PLUS

PROCESS SIMULATION AND CONTROL USING ASPEN

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Data Browser button

Solver Settings button

Material STREAMS icon

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INTRODUCTION AND STKPWISK ASPEN PI.US

also been discussed with their solution approaches subsequently.

STEPWISE ASPEN PLUS SIMULATION OF FLASH DRUMS

1 3 1 Built-in Flash Drum Models

At this point it is important to mention that for additional information regarding a

PROCESS SIMULATION AND CONTROL USING ASPEN

Simulation of a Flash Drum

A lowsheet of a lash drum. f f

INTRODUCTION AND STEPVV1SE ASPEN PLUSIM SIMULATION

subsequently, proceed to create the lowsheet.

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General Slu1al1e< w<th English unl s :