Table Of ContentModeling in Membranes and
Membrane-Based Processes
Scrivener Publishing
100 Cummings Center, Suite 541J
Beverly, MA 01915-6106
Publishers at Scrivener
Martin Scrivener ([email protected])
Phillip Carmical ([email protected])
Modeling in Membranes and
Membrane-Based Processes
Edited by
Anirban Roy, Siddhartha Moulik,
Reddi Kamesh, and Aditi Mullick
This edition first published 2020 by John Wiley & Sons, Inc., 111 River Street, Hoboken, NJ 07030, USA
and Scrivener Publishing LLC, 100 Cummings Center, Suite 541J, Beverly, MA 01915, USA
© 2020 Scrivener Publishing LLC
For more information about Scrivener publications please visit www.scrivenerpublishing.com.
All rights reserved. No part of this publication may be reproduced, stored in a retrieval system, or
transmitted, in any form or by any means, electronic, mechanical, photocopying, recording, or other-
wise, except as permitted by law. Advice on how to obtain permission to reuse material from this title
is available at http://www.wiley.com/go/permissions.
Wiley Global Headquarters
111 River Street, Hoboken, NJ 07030, USA
For details of our global editorial offices, customer services, and more information about Wiley prod-
ucts visit us at www.wiley.com.
Limit of Liability/Disclaimer of Warranty
While the publisher and authors have used their best efforts in preparing this work, they make no rep-
resentations or warranties with respect to the accuracy or completeness of the contents of this work and
specifically disclaim all warranties, including without limitation any implied warranties of merchant-
ability or fitness for a particular purpose. No warranty may be created or extended by sales representa-
tives, written sales materials, or promotional statements for this work. The fact that an organization,
website, or product is referred to in this work as a citation and/or potential source of further informa-
tion does not mean that the publisher and authors endorse the information or services the organiza-
tion, website, or product may provide or recommendations it may make. This work is sold with the
understanding that the publisher is not engaged in rendering professional services. The advice and
strategies contained herein may not be suitable for your situation. You should consult with a specialist
where appropriate. Neither the publisher nor authors shall be liable for any loss of profit or any other
commercial damages, including but not limited to special, incidental, consequential, or other damages.
Further, readers should be aware that websites listed in this work may have changed or disappeared
between when this work was written and when it is read.
Library of Congress Cataloging-in-Publication Data
ISBN 978-1-119-53606-2
Cover image: Industrial Membrane Device, Kondou | Dreamstime.com
Cover design by Kris Hackerott
Set in size of 11pt and Minion Pro by Manila Typesetting Company, Makati, Philippines
Printed in the USA
10 9 8 7 6 5 4 3 2 1
Contents
Acknowledgement xiii
1 Introduction: Modeling and Simulation
for Membrane Processes 1
Anirban Roy, Aditi Mullick, Anupam Mukherjee
and Siddhartha Moulik
References 6
2 Thermodynamics of Casting Solution in Membrane Synthesis 9
Shubham Lanjewar, Anupam Mukherjee, Lubna Rehman,
Amira Abdelrasoul and Anirban Roy
2.1 Introduction 10
2.2 Liquid Mixture Theories 11
2.2.1 Theories of Lattices 11
2.2.1.1 The Flory-Huggins Theory 11
2.2.1.2 The Equation of State Theory 12
2.2.1.3 The Gas-Lattice Theory 13
2.2.2 Non-Lattice Theories 13
2.2.2.1 The Strong Interaction Model 13
2.2.2.2 The Heat of Mixing Approach 13
2.2.2.3 The Solubility Parameter Approach 14
2.2.3 The Flory–Huggins Model 15
2.3 Solubility Parameter and Its Application 18
2.3.1 Scatchard-Hildebrand Theory 18
2.3.1.1 The Regular Solution Model 18
2.3.1.2 Application of Hildebrand Equation
to Regular Solutions 19
2.3.2 Solubility Scales 20
2.3.3 Role of Molecular Interactions 21
2.3.3.1 Types of Intermolecular Forces 21
v
vi Contents
2.3.4 Intermolecular Forces: Effect on Solubility 23
2.3.5 Interrelation Between Heat of Vaporization
and Solubility Parameter 24
2.3.6 Measuring Units of Solubility Parameter 25
2.4 Dilute Solution Viscometry 26
2.4.1 Types of Viscosities 27
2.4.2 Viscosity Determination and Analysis 28
2.5 Ternary Composition Triangle 32
2.5.1 Typical Ternary Phase Diagram 33
2.5.2 Binodal Line 34
2.5.2.1 Non-Solvent/Solvent Interaction 36
2.5.2.2 Non-Solvent/Polymer Interaction 36
2.5.2.3 Solvent/Polymer Interaction 36
2.5.3 Spinodal Line 36
2.5.4 Critical Point 37
2.5.5 Thermodynamic Boundaries and Phase Diagram 38
2.6 Conclusion 40
2.7 Acknowledgment 40
List of Abbreviations and Symbols 40
Greek Symbols 42
References 42
3 Computational Fluid Dynamics (CFD) Modeling
in Membrane-Based Desalination Technologies 47
Pelin Yazgan-Birgi, Mohamed I. Hassan Ali
and Hassan A. Arafat
3.1 Desalination Technologies and Modeling Tools 48
3.1.1 Desalination Technologies 48
3.1.2 Tools in Desalination Processes Modeling 49
3.1.3 CFD Modeling Tool in Desalination Processes 55
3.2 General Principles of CFD Modeling
in Desalination Processes 56
3.2.1 Reverse Osmosis (RO) Technology 61
3.2.2 Forward Osmosis (FO) Technology 65
3.2.3 Membrane Distillation (MD) Technology 68
3.2.4 Electrodialysis and Electrodialysis Reversal
(ED/EDR) Technologies 73
3.3 Application of CFD Modeling in Desalination 77
3.3.1 Applications in Reverse Osmosis (RO) Technology 77
3.3.2 Applications in Forward Osmosis (FO) Technology 95
Contents vii
3.3.3 Applications in Membrane Distillation (MD)
Technology 108
3.3.4 Applications in Electrodialysis and Electrodialysis
Reversal (ED/EDR) Technologies 121
3.4 Commercial Software Used in Desalination
Process Modeling 122
Conclusion 132
References 133
4 Role of Thermodynamics and Membrane Separations
in Water-Energy Nexus 145
Anupam Mukherjee, Shubham Lanjewar, Ridhish Kumar,
Arijit Chakraborty, Amira Abdelrasoul and Anirban Roy
4.1 Introduction: 1st and 2nd Laws of Thermodynamics 146
4.2 Thermodynamic Properties 148
4.2.1 Measured Properties 148
4.2.2 Fundamental Properties 149
4.2.3 Derived Properties 149
4.2.4 Gibbs Energy 149
4.2.5 1st and 2nd Law for Open Systems 152
4.3 Minimum Energy of Separation Calculation:
A Thermodynamic Approach 153
4.3.1 Non-Idealities in Electrolyte Solutions 154
4.3.2 Solution Thermodynamics 154
4.3.2.1 Solvent 155
4.3.2.2 Solute 155
4.3.2.3 Electrolyte 156
4.3.3 Models for Evaluating Properties 157
4.3.3.1 Evaluation of Activity Coefficients Using
Electrolyte Models 157
4.3.4 Generalized Least Work of Separation 159
4.3.4.1 Derivation 160
4.4 Desalination and Related Energetics 164
4.4.1 Evaporation Techniques 166
4.4.2 Membrane-Based New Technologies 167
4.5 Forward Osmosis for Water Treatment:
Thermodynamic Modelling 173
4.5.1 Osmotic Processes 173
4.5.1.1 Osmosis 174
4.5.1.2 Draw Solutions 175
viii Contents
4.5.2 Concentration Polarization in Osmotic Process 177
4.5.2.1 External Concentration Polarization 177
4.5.2.2 Internal Concentration Polarization 178
4.5.3 Forward Osmosis Membranes 180
4.5.4 Modern Applications of Forward Osmosis 180
4.5.4.1 Wastewater Treatment
and Water Purification 181
4.5.4.2 Concentrating Dilute Industrial Wastewater 181
4.5.4.3 Concentration of Landfill Leachate 181
4.5.4.4 Concentrating Sludge Liquids 182
4.5.4.5 Hydration Bags 182
4.5.4.6 Water Reuse in Space Missions 182
4.6 Pressure Retarded Osmosis for Power Generation:
A Thermodynamic Analysis 183
4.6.1 What Is Pressure Retarded Osmosis? 183
4.6.2 Pressure Retarded Osmosis for Power Generation 184
4.6.3 Mixing Thermodynamics 186
4.6.3.1 Gibbs Energy of Solutions 186
4.6.3.2 Gibbs Free Energy of Mixing 187
4.6.4 Thermodynamics of Pressure Retarded Osmosis 188
4.6.5 Role of Membranes in Pressure Retarded Osmosis 190
4.6.6 Future Prospects of Pressure Retarded Osmosis 191
4.7 Conclusion 192
4.8 Acknowledgment 192
Nomenclature 192
1. Roman Symbols 192
2. Greek Symbols 193
3. Subscripts 194
4. Superscripts 194
5. Acronyms 194
References 195
5 Modeling and Simulation for Membrane Gas
Separation Processes 201
Samaneh Bandehali, Hamidreza Sanaeepur,
Abtin Ebadi Amooghin and Abdolreza Moghadassi
Abbreviations 201
Nomenclatures 202
Subscripts 203
5.1 Introduction 203
5.2 Industrial Applications of Membrane Gas Separation 205
Contents ix
5.2.1 Air Separation or Production of Oxygen
and Nitrogen 205
5.2.2 Hydrogen Recovery 206
5.2.3 Carbon Dioxide Removal from Natural Gas
and Syn Gas Purification 210
5.3 Modeling in Membrane Gas Separation Processes 210
5.3.1 Mathematical Modeling for Membrane Separation
of a Gas Mixture 210
5.3.2 Modeling in Acid Gas Separation 218
5.4 Process Simulation 221
5.4.1 Gas Treatment Modeling in Aspen HYSYS 222
5.5 Modeling of Gas Separation by Hollow-Fiber Membranes 225
5.6 CFD Simulation 227
5.6.1 Hollow Fiber Membrane Contactors (HFMCs) 227
5.7 Conclusions 228
References 229
6 Gas Transport through Mixed Matrix Membranes (MMMs):
Fundamentals and Modeling 237
Rizwan Nasir, Hafiz Abdul Mannan, Danial
Qadir, Hilmi Mukhtar, Dzeti Farhah Mohshim
and Aymn Abdulrahman
6.1 History of Membrane Technology 237
6.2 Separation Mechanisms for Gases through Membranes 238
6.3 Overview of Mixed Matrix Membranes 242
6.3.1 Material and Synthesis of Mixed Matrix Membrane 242
6.3.2 Performance Analysis of Mixed Matrix Membranes 242
6.4 MMMs Performance Prediction Models 243
6.4.1 New Approaches for Performance Prediction
of MMMs 246
6.5 Future Trends and Conclusions 246
6.6 Acknowledgment 253
References 253
7 Application of Molecular Dynamics Simulation
to Study the Transport Properties of Carbon
Nanotubes-Based Membranes 257
Maryam Ahmadzadeh Tofighy and Toraj Mohammadi
7.1 Introduction 258
7.2 Carbon Nanotubes (CNTs) 259
7.3 CNTs Membranes 263
7.4 MD Simulations of CNTs and CNTs Membranes 265
