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Chemical Engineering Process
Simulation
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Chemical Engineering
Process Simulation
Second Edition
Edited by
Dominic C. Y. Foo
Department of Chemical and Environmental Engineering/Centre of
Excellence for Green Technologies, University of Nottingham Malaysia,
Semenyih, Selangor, Malaysia
Elsevier
Radarweg 29, PO Box 211, 1000 AE Amsterdam, Netherlands
The Boulevard, Langford Lane, Kidlington, Oxford OX5 1GB, United Kingdom
50 Hampshire Street, 5th Floor, Cambridge, MA 02139, United States
No part of this publication may be reproduced or transmitted in any form or by any means,
electronic or mechanical, including photocopying, recording, or any information storage
and retrieval system, without permission in writing from the publisher. Details on how to
seek permission, further information about the Publisher’s permissions policies and our
arrangements with organizations such as the Copyright Clearance Center and the Copyright
Licensing Agency, can be found at our website: www.elsevier.com/permissions.
This book and the individual contributions contained in it are protected under copyright by
the Publisher (other than as may be noted herein).
Notices
Knowledge and best practice in this field are constantly changing. As new research and
experience broaden our understanding, changes in research methods, professional prac-
tices, or medical treatment may become necessary.
Practitioners and researchers must always rely on their own experience and knowledge in
evaluating and using any information, methods, compounds, or experiments described
herein. In using such information or methods they should be mindful of their own safety
and the safety of others, including parties for whom they have a professional responsibility.
To the fullest extent of the law, neither the Publisher nor the authors, contributors, or
editors, assume any liability for any injury and/or damage to persons or property as a matter
of products liability, negligence or otherwise, or from any use or operation of any methods,
products, instructions, or ideas contained in the material herein.
ISBN: 978-0-323-90168-0
Contributors xvii
Acknowledgments xix
How to use this book xxi
Part I
Basics of process simulation
1. Introduction to process simulation
Dominic C.Y. Foo and Rafil Elyas
1.1 Process design and simulation 4
1.2 Historical perspective for process simulation 6
1.3 Basic architectures for commercial software 7
1.4 Basic algorithms for process simulation 9
1.4.1 Sequential modular approach 9
1.4.2 Equation-oriented approach 11
1.5 Degrees of freedom analysis 11
1.6 Incorporation of process synthesis model and sequential
modular approach 15
1.6.1 Ten good habits for process simulation 20
Exercises 26
References 27
Further reading 28
vii
viii Contents
Part II
UniSim design
5. Basics of process simulation with UniSim design
Dominic C.Y. Foo
5.1 Example on n-octane production 103
5.2 Stage 1: basic simulation setup 104
5.3 Stage 2: modeling of reactor 108
5.4 Stage 3: modeling of separation unit 112
5.5 Stage 4: modeling of recycle system 113
5.5.1 Material recycle system 114
5.5.2 Energy recycle system 117
5.6 Conclusions 121
Exercises 121
References 124
Part III
Symmetry
8. Basics of process simulation with Symmetry
Nurain Shakina Roslizam, Abdul Rahim Norman,
Shahrul Azman Abidin and Zulfan Adi Putra
8.1 Example on n-octane production 157
8.2 Establishing the thermodynamic model 157
8.3 Process modeling 159
8.3.1 Defining reactor inlet feed streams 160
8.3.2 Modeling of reactor 161
8.3.3 Modeling of separation units 163
8.3.4 Modeling of recycle systems 168
8.4 Conclusions 180
Exercises 180
Reference 180
Part IV
SuperPro designer
10. Basics of batch process simulation with
SuperPro Designer
Dominic C.Y. Foo
10.1 Basic steps for batch process simulation 203
10.2 Case study on biochemical production 204
10.3 Basic simulation setup 204
Contents xi
Part V
aspenONE engineering
13. Basics of process simulation with Aspen HYSYS
Nishanth Chemmangattuvalappil, Siewhui Chong and
Dominic C.Y. Foo
13.1 Example on n-octane production 271
Exercise 291
References 293