Attainable region theory: an introduction to choosing an optimal reactor
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| Main Authors: | , , , , |
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| Format: | Book |
| Language: | English |
| Published: |
Hoboken, New Jersey
Wiley
[2016]
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| Subjects: | |
| Online Access: | Inhaltsverzeichnis Klappentext |
| Item Description: | Includes index |
| Physical Description: | xxi, 329 pages Illustrationen |
| ISBN: | 9781119157885 |
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| adam_text | CONTENTS
Preface xi
Acknowledgments xiii
Prior Knowledge xiv
How this book is Structured XV
Software and Companion Website xvii
Nomenclature xix
SECTION I BASIC THEORY 1
1 Introduction 3
1.1 Introduction, 3
1.2 Motivation, 3
1.2.1 Toluene Production as a Case Study, 3
1.2.2 Part One: Initial Investigations, 4
1.2.3 Part Two: Iterative Improvement, 4
1.2.4 Part Three: Coffee, 5
1.2.5 Part Four: Additional Improvements, 6
1.2.6 What this Book is About, 7
1.3 Reactor Network Synthesis, 8
1.4 Solving the Reactor Network Synthesis Problem, 12
1.4.1 Reactor Superstructures, 12
1.4.2 AR Theory, 14
1.4.3 Attainability Problems Outside of Reactor Design, 15
1.5 Chapter Review, 16
References, 17
CONTENTS
2 Concentration and Mixing 19
2.1 Introduction, 19
2.1.1 Review, 19
2.1.2 Revisualizing Concentration Data, 19
2.2 Concentration Vectors and Dimension, 23
2.2.1 Moving on a Line: Table Salt and Water, 23
2.2.2 Moving Freely Through Space, 25
2.3 Mixing, 28
2.3.1 Introduction, 28
2.3.2 Additional Insights, 33
2.3.3 Different Ways of Synthesizing Cc, 35
2.3.4 Mixing and Attainability, 37
2.3.5 «֊Dimensional Mixing and Convex Hulls, 41
2.4 Chapter Review, 47
References, 47
3 The Attainable Region 49
3.1 Introduction, 49
3.2 A Mixing and Reaction Game, 49
3.2.1 Introduction and Rules of the Game, 49
3.2.2 Filling in the Region, 49
3.2.3 Scenario 1: Selecting Points from Region A, 50
3.2.4 Scenario 2: Selecting Points from Region B}, 51
3.2.5 Further Improvements, 53
3.3 The AR, 57
3.3.1 Ten Experiments, 57
3.3.2 The Limit of Infinitely Many Batches, 57
3.4 Elementary Properties of the AR, 58
3.5 Chapter Review, 61
References, 61
4 Reaction 63
4.1 Introduction, 63
4.2 Reaction Rates and Stoichiometry, 63
4.2.1 Benzene Reaction Rate, 63
4.2.2 Toluene Reaction Rate, 64
4.3 Reaction from a Geometric Viewpoint, 66
4.3.1 The Rate Vector, 66
4.3.2 Rate Fields, 69
4.4 Three Fundamental Continuous Reactor Types, 73
4.4.1 Motivation, 73
4.4.2 The Plug Flow Reactor, 73
4.4.3 The Continuous-Flow Stirred Tank Reactor, 82
4.4.4 The Differential Sidestream Reactor, 95
4.5 Summary, 102
4.6 Mixing Temperatures, 102
4.6.1 Motivation, 102
4.6.2 Adiabatic Energy Balance, 102
4.6.3 Non-adiabatic Energy Balance, 104
4.7 Additional Properties of the AR, 105
4.8 Chapter Review, 106
References, 107
CONTENTS
vii
5 Two-Dimensional Constructions 109
5.1 Introduction, 109
5.2 A Framework for Tackling AR Problems, 109
5.3 Two-Dimensional Van De Vusse Kinetics, 110
5.3.1 Introduction, 110
5.3.2 Scenario 1: = a2, 111
5.3.3 Scenario 2: aj a2, 114
5.3.4 Scenario 3: a} a2, 114
5.3.5 Review, 123
5.4 Multiple CSTR Steady States and ISOLAS, 125
5.4.1 Introduction, 125
5.4.2 Step 1: Define the Problem, 125
5.4.3 Step 2: AR Construction, 126
5.4.4 Steps 3-5: Interpretation and Optimization, 130
5.5 Constructions in Residence Time Space, 131
5.5.1 Significance of Residence Time Constructions, 131
5.5.2 Mixing in Residence Time Space, 132
5.5.3 Visualizing Residence Time Data, 132
5.5.4 Unbounded Regions, 133
5.5.5 Example: Optimal Reactor Structure for Minimum
Residence Time, 134
5.6 Chapter Review, 141
References, 141
SECTION II EXTENDED TOPICS 143
6 Higher Dimensional AR Theory 145
6.1 Introduction, 145
6.2 Dimension and Stoichiometry, 146
6.2.1 The Stoichiometric Subspace, 146
6.2.2 Concentrations Orthogonal to the Stoichiometric
Subspace, 152
6.2.3 Number of Independent Reactor Structures, 158
6.3 The Three Fundamental Reactor Types Used in AR Theory, 159
6.3.1 Introduction, 159
6.3.2 Extreme Points and Reaction, 159
6.3.3 Two Important Theorems, 162
6.4 Critical DSRs and CSTRs, 166
6.4.1 Overview, 166
6.4.2 Controllability, 166
6.4.3 Computing Critical DSR Trajectories, 169
6.4.4 Computing Critical CSTR Points, 182
6.5 Chapter Review, 189
References, 190
7 Applications of AR Theory 191
7.1 Introduction, 191
7.2 Higher Dimensional Constructions, 191
7.2.1 Three-Dimensional Van de Vusse Kinetics, 191
7.2.2 BTX Kinetics, 198
viii
CONTENTS
7.3 Nonisothermal Constructions and Reactor Type
Constraints, 205
7.3.1 Adiabatic Reaction, 205
7.3.2 Constrained AR Construction Using Only PFRs, 208
7.3.3 Insights into Interstage and Cold-Shot Cooling
Operation, 211
7.4 AR Theory for Batch Reactors, 222
7.4.1 Introduction, 222
7.4.2 Similarities Between Batch and Continuous Reactive
Equipment, 223
7.4.3 Example; Three-Dimensional Van de Vusse Kinetics
Revisited, 230
7.5 Chapter Review, 232
References, 233
8 AR Construction Algorithms 235
8.1 Introduction, 235
8.2 Preliminaries, 235
8.2.1 Hyperplanes, 235
8.2.2 Computing the Stoichiometric Subspace S, 237
8.3 Overview of AR Construction Methods, 246
8.3.1 Introduction, 246
8.3.2 Inside-Out versus Outside-In Methods, 247
8.4 Inside-out Construction Methods, 248
8.4.1 The Recursive Constant Control Policy Algorithm, 248
8.4.2 The Iso-State Method, 253
8.4.3 The Complement Method, 258
8.5 Outside-in Construction Methods, 262
8.5.1 Overview, 262
8.5.2 The Method of Bounding Hyperplanes, 262
8.5.3 The Shrink-Wrap Algorithm, 267
8.6 Superstructure Methods, 270
8.6.1 LP Formulations, 270
8.6.2 IDEAS Approach, 276
8.7 Chapter Review, 279
References, 279
9 Attainable Regions for Variable Density Systems 281
9.1 Introduction, 281
9.2 Common Conversions to Mass Fraction Space, 281
9.2.1 Preliminary Notation, 281
9.2.2 Conversions Involving Molar Quantities, 283
9.2.3 Average Density, 285
9.2.4 Mixing and Reaction, 285
9.2.5 Residence Time in Mass Fraction Space, 287
9.2.6 Fundamental Reactor Types, 288
9.2.7 Computing the Stoichiometric Subspace, 289
9.3 Examples, 293
9.3.1 Three-Dimensional Van de Vusse Kinetics, 293
9.3.2 Steam Reforming and Water-gas Shift Reaction, 295
9.4 Chapter Review, 298
References, 299
CONTENTS
ix
10 Final Remarks, Further Reading, and Future Directions 301
10.1 Introduction, 301
10.2 Chapter Summaries and Final Remarks, 301
10.3 Further Reading, 304
10.3.1 AR-related Papers, 304
10.3.2 Non-reactor-Related Papers, 305
10.4 Future Directions, 305
10.4.1 The Search for a Sufficiency Condition, 305
10.4.2 Applying AR Theory to Real Systems, 306
10.4.3 Automated AR Construction, 306
References, 307
Appendix A Fundamental Reactor Types 309
A. 1 The Plug Flow Reactor, 309
A.2 The Continuous-Flow Stirred Tank Reactor, 309
A. 3 The Differential Sidestream Reactor, 310
Appendix В Mathematical Topics 311
B. l Set Notation, 311
В .2 Aspects of Linear Algebra, 311
B.2.1 General Definitions, 311
B.2.2 Properties of Determinants, 313
B. 3 The Complement Principle, 313
B.3.1 Introduction, 313
B. 3.2 Description: A Generalized Mole Balance over a
Reactor Sub-Network, 313
References, 315
Appendix C Companion Software and Website 317
C. l Introduction, 317
C. 1.1 The Python Programming Language, 317
C.l.2 Jupyter Notebooks, 317
C.1.3 Companion Website, 317
C.2 Obtaining Python and Jupy ter, 318
C.2.1 Anaconda, 318
C.2.2 Downloading and Installing the Anaconda
Distribution, 318
C.2.3 Downloading Jupyter Notebooks, 318
Index
321
Learn how to effectively interpret, select, and optimize reactors for complex reactive systems,
using attainable region theory
With so many different reactor types available, and infinitely ways to combine these types together, how should we go
about decoding and designing these systems, and how do we know that there are not other designs that could do better?
Attainable region (AR) theory provides a means of understanding chemical reactor networks from a geometric perspective,
This approach allows us to find all possible outcomes for all possible designs-even the designs we cannot imagine-giving
us confidence that what is designed is always optimal for a given duty.
Attainable Region Theory: An Introduction to Choosing an Optimal Reactor discusses how to effectively interpret, select,
and optimize reactors for complex reactive systems, using AR theory. Covering both fundamentals and advanced concepts,
this book demonstrates how knowledge of attainable regions can lead to powerful insights and discoveries that improve the
performance of complex reactor designs.
Written by prominent authors on AR research, including codevelopers of the founding theory, this textbook features:
· Over 70 worked examples and 200 illustrations, including interactive software tools written in Python, which
demonstrate how AR theory can be used to solve reactor network problems
• Fundamentals of AR theory suitable for readers without any prior knowledge of chemical reactors or optimization
• Extended AR topics including construction algorithms, higher dimensional problems, and variable density systems
This book serves as a companion textbook for self-study or a reference for instructors, and may also be used as a module
of a larger course on reactor network design and optimization,
DAVID MING holds a B.Sc, and Ph.D. in chemical engineering from the University of the Witwatersrand, Johannesburg,
South Africa. His research interests involve using AR theory to optimize chemical reactors, including batch reactors,
and AR numerical methods.
DAVID GLASSER is a Professor of Chemical Engineering and codirector of the Material and Process Synthesis (MaPS)
research unit at the University of South Africa (UNISA), South Africa. He was Head of Department of Chemical Engineering,
and Dean of the Faculty of Engineering at the University of the Witwatersrand, South Africa, and is one of the cofounders
of AR theory. He holds a B.Sc. in chemical engineering from the University of Cape Town, and a Ph.D. in chemical
engineering from Imperial College.
DIANE HILDEBRANDT is a Professor of Chemical Engineering and codirector of the MaPS research unit at UNISA, South
Africa, She was the first woman in South Africa to be appointed as a full professor of chemical engineering when she was
the Unilever Professor of Reaction Engineering at the University of the Witwatersrand, and is also a codeveloper of AR
theory. She holds a B.Sc., M.Sc., and Ph.D, in chemical engineering from the University of the Witwatersrand. Her
research area is the reduction of CO, emissions through the design of energy-efficient processes.
BENJAMIN GLASSER is a Professor of Chemical and Biochemical Engineering at Rutgers University, New Jersey, USA.
He holds a B.Sc. and M.Sc, in chemical engineering from the University of the Witwatersrand, and a Ph.D. in chemical
engineering from Princeton University. His research interests include heat and mass transfer, multiphase reactors, and
particle technology applied to chemical and pharmaceutical manufacturing.
MATTHEW METZGER is a Senior Scientist at Merck Co., Inc, USA. He has coauthored over 14 publications, He holds
a B.S. in chemical engineering from Lafayette College, and a Ph.D. in chemical engineering from Rutgers University.
|
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| spelling | Ming, David Verfasser aut Attainable region theory an introduction to choosing an optimal reactor by David Ming, David Glasser and Diane Hildebrandt, Benjamin Glasser, Matthew Metzger Hoboken, New Jersey Wiley [2016] xxi, 329 pages Illustrationen txt rdacontent n rdamedia nc rdacarrier Includes index Chemical reactors Design and construction Statistical tolerance regions Reaktionstechnik (DE-588)4136173-8 gnd rswk-swf Chemischer Reaktor (DE-588)4121085-2 gnd rswk-swf Reaktionstechnik (DE-588)4136173-8 s DE-604 Chemischer Reaktor (DE-588)4121085-2 s Glasser, David Verfasser aut Hildebrandt, Diane Verfasser aut Glasser, Benjamin J. Verfasser aut Metzger, Matthew Verfasser aut Erscheint auch als Online-Ausgabe, pdf 978-1-119-24471-4 Erscheint auch als Online-Ausgabe, epub 978-1-119-24470-7 Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029306630&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029306630&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Klappentext |
| spellingShingle | Ming, David Glasser, David Hildebrandt, Diane Glasser, Benjamin J. Metzger, Matthew Attainable region theory an introduction to choosing an optimal reactor Chemical reactors Design and construction Statistical tolerance regions Reaktionstechnik (DE-588)4136173-8 gnd Chemischer Reaktor (DE-588)4121085-2 gnd |
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| title | Attainable region theory an introduction to choosing an optimal reactor |
| title_auth | Attainable region theory an introduction to choosing an optimal reactor |
| title_exact_search | Attainable region theory an introduction to choosing an optimal reactor |
| title_full | Attainable region theory an introduction to choosing an optimal reactor by David Ming, David Glasser and Diane Hildebrandt, Benjamin Glasser, Matthew Metzger |
| title_fullStr | Attainable region theory an introduction to choosing an optimal reactor by David Ming, David Glasser and Diane Hildebrandt, Benjamin Glasser, Matthew Metzger |
| title_full_unstemmed | Attainable region theory an introduction to choosing an optimal reactor by David Ming, David Glasser and Diane Hildebrandt, Benjamin Glasser, Matthew Metzger |
| title_short | Attainable region theory |
| title_sort | attainable region theory an introduction to choosing an optimal reactor |
| title_sub | an introduction to choosing an optimal reactor |
| topic | Chemical reactors Design and construction Statistical tolerance regions Reaktionstechnik (DE-588)4136173-8 gnd Chemischer Reaktor (DE-588)4121085-2 gnd |
| topic_facet | Chemical reactors Design and construction Statistical tolerance regions Reaktionstechnik Chemischer Reaktor |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029306630&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029306630&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT mingdavid attainableregiontheoryanintroductiontochoosinganoptimalreactor AT glasserdavid attainableregiontheoryanintroductiontochoosinganoptimalreactor AT hildebrandtdiane attainableregiontheoryanintroductiontochoosinganoptimalreactor AT glasserbenjaminj attainableregiontheoryanintroductiontochoosinganoptimalreactor AT metzgermatthew attainableregiontheoryanintroductiontochoosinganoptimalreactor |