Process Modeling and Simulation for Chemical Engineers - Theory and Practice

Informationen zum Autor Simant Ranjan Upreti, Department of Chemical Engineering, Ryerson University, Toronto, Canada. Klappentext This book provides a rigorous treatment of the fundamental concepts and techniques involved in process modeling and simulation. The book allows the reader to: (i)         Get a solid grasp of "under-the-hood" mathematical results (ii)        Develop models of sophisticated processes (iii)       Transform models to different geometries and domains as appropriate (iv)       Utilize various model simplification techniques (v)        Learn simple and effective computational methods for model simulation (vi)       Intensify the effectiveness of their research Modeling and Simulation for Chemical Engineers: Theory and Practice begins with an introduction to the terminology of process modeling and simulation. Chapters 2 and 3 cover fundamental and constitutive relations, while Chapter 4 on model formulation builds on these relations. Chapters 5 and 6 introduce the advanced techniques of model transformation and simplification. Chapter 7 deals with model simulation, and the final chapter reviews important mathematical concepts. Presented in a methodical, systematic way, this book is suitable as a self-study guide or as a graduate reference, and includes examples, schematics and diagrams to enrich understanding. End of chapter problems with solutions and computer software available online at http://www.wiley.com/go/upreti/pms_for_chemical_engineers are designed to further stimulate readers to apply the newly learned concepts. Zusammenfassung This book provides a rigorous treatment of the fundamental concepts and techniques involved in process modeling and simulation. Inhaltsverzeichnis Preface xiii Notation xv 1 Introduction 1 1.1 System 1 1.1.1 Uniform System 2 1.1.2 Properties of System 2 1.1.3 Classification of System 3 1.1.4 Model 3 1.2 Process 3 1.2.1 Classification of Processes 4 1.2.2 Process Model 5 1.3 Process Modeling 6 1.3.1 Relations 7 1.3.2 Assumptions 7 1.3.3 Variables and Parameters 8 1.4 Process Simulation 9 1.4.1 Utility 9 1.4.2 Simulation Methods 10 1.5 Development of Process Model 11 1.6 Learning about Process 13 1.7 System Specification 14 Bibliography 16 Exercises 16 2 Fundamental Relations 17 2.1 Basic Form 17 2.1.1 Application 19 2.2 Mass Balance 21 2.2.1 Microscopic Balances 21 2.2.2 Equation of Change for Mass Fraction 23 2.3 Mole Balance 24 2.3.1 Microscopic Balances 24 2.3.2 Equation of Change for Mole Fraction 25 2.4 Momentum Balance 26 2.4.1 Convective Momentum Flux 27 2.4.2 Total Momentum Flux 28 2.4.3 Macroscopic Balance 29 2.4.4 Microscopic Balance 31 2.5 Energy Balance 33 2.5.1 Microscopic Balance 33 2.5.2 Macroscopic Balance 35 2.6 Equation of Change for Kinetic and Potential Energy 38 2.6.1 Microscopic Equation 38 2.6.2 Macroscopic Equation 40 2.7 Equation of Change for Temperature 41 2.7.1 Microscopic Equation 41 2.7.2 Macroscopic Equation 42 2.A Enthalpy Change from Thermodynamics 44 2.B Divergence Theorem 48 2.C General Transport Theorem 50 2.D Equations in Cartesian, Cylindrical and Spherical Coordinate Systems 53 2.D.1 Equations of Continuity 54 2.D.2 Equations of Continuity for Individual Species 54 2.D.3 Equations of Motion 55 2.D.4 Equations of Change for Temperature 56 Bibliography 57 Exercises 57 3 Constitutive Relations 59 3.1 Diffusion 59 3.1.1 Multicomponent Mixtures 60 3.2 Viscous Motion 60 3.2.1 Newtonian Fluids 61...

List of contents

Preface xiii
 
Notation xv
 
1 Introduction 1
 
1.1 System 1
 
1.1.1 Uniform System 2
 
1.1.2 Properties of System 2
 
1.1.3 Classification of System 3
 
1.1.4 Model 3
 
1.2 Process 3
 
1.2.1 Classification of Processes 4
 
1.2.2 Process Model 5
 
1.3 Process Modeling 6
 
1.3.1 Relations 7
 
1.3.2 Assumptions 7
 
1.3.3 Variables and Parameters 8
 
1.4 Process Simulation 9
 
1.4.1 Utility 9
 
1.4.2 Simulation Methods 10
 
1.5 Development of Process Model 11
 
1.6 Learning about Process 13
 
1.7 System Specification 14
 
Bibliography 16
 
Exercises 16
 
2 Fundamental Relations 17
 
2.1 Basic Form 17
 
2.1.1 Application 19
 
2.2 Mass Balance 21
 
2.2.1 Microscopic Balances 21
 
2.2.2 Equation of Change for Mass Fraction 23
 
2.3 Mole Balance 24
 
2.3.1 Microscopic Balances 24
 
2.3.2 Equation of Change for Mole Fraction 25
 
2.4 Momentum Balance 26
 
2.4.1 Convective Momentum Flux 27
 
2.4.2 Total Momentum Flux 28
 
2.4.3 Macroscopic Balance 29
 
2.4.4 Microscopic Balance 31
 
2.5 Energy Balance 33
 
2.5.1 Microscopic Balance 33
 
2.5.2 Macroscopic Balance 35
 
2.6 Equation of Change for Kinetic and Potential Energy 38
 
2.6.1 Microscopic Equation 38
 
2.6.2 Macroscopic Equation 40
 
2.7 Equation of Change for Temperature 41
 
2.7.1 Microscopic Equation 41
 
2.7.2 Macroscopic Equation 42
 
2.A Enthalpy Change from Thermodynamics 44
 
2.B Divergence Theorem 48
 
2.C General Transport Theorem 50
 
2.D Equations in Cartesian, Cylindrical and Spherical Coordinate Systems 53
 
2.D.1 Equations of Continuity 54
 
2.D.2 Equations of Continuity for Individual Species 54
 
2.D.3 Equations of Motion 55
 
2.D.4 Equations of Change for Temperature 56
 
Bibliography 57
 
Exercises 57
 
3 Constitutive Relations 59
 
3.1 Diffusion 59
 
3.1.1 Multicomponent Mixtures 60
 
3.2 Viscous Motion 60
 
3.2.1 Newtonian Fluids 61
 
3.2.2 Non-Newtonian Fluids 62
 
3.3 Thermal Conduction 63
 
3.4 Chemical Reaction 63
 
3.5 Rate of Reaction 65
 
3.5.1 Equations of Change for Moles 66
 
3.5.2 Equations of Change for Temperature 67
 
3.5.3 Macroscopic Equation of Change for Temperature 69
 
3.6 Interphase Transfer 71
 
3.7 Thermodynamic Relations 72
 
3.A Equations in Cartesian, Cylindrical and Spherical Coordinate Systems 74
 
3.A.1 Equations of Continuity for Binary Systems 74
 
3.A.2 Equations of Motion for Newtonian Fluids 75
 
3.A.3 Equations of Change for Temperature 76
 
References 77
 
Bibliography 77
 
Exercises 78
 
4 Model Formulation 79
 
4.1 Lumped-Parameter Systems 80
 
4.1.1 Isothermal CSTR 80
 
4.1.2 Flow through Eccentric Reducer 83
 
4.1.3 Liquid Preheater 84
 
4.1.4 Non-Isothermal CSTR 87
 
4.2 Distributed-Parameter Systems 90
 
4.2.1 Nicotine Patch 90
 
4.2.2 Fluid Flow between Inclined Parallel Plates 93
 
4.2.3 Tapered Fin 96
 
4.2.4 Continuous Microchannel Reactor 99
 
4.2.5 Oxygen Transport to Tissues 103
 
4.2.6 Dermal Heat Transfer in Cylindrical Limb 106
 
4.2.7 Solvent Induced Heavy Oil Recovery 108
 
4.2.8 Hydrogel Tablet 112
 
4.2.9 Neutro

Product details

• Authors: Simant R Upreti, Simant R. Upreti, Simant R. (Ryerson University Upreti, Simant Ranjan Upreti
• Publisher: Wiley, John and Sons Ltd
• Languages: English
• Product format: Hardback
• Released: 26.04.2017
• EAN: 9781118914687
• ISBN: 978-1-118-91468-7
• No. of pages: 368
• Subjects: Natural sciences, medicine, IT, technology > Chemistry; Chemie, chemistry, Prozessmodell, Chemical Engineering, Industrial Chemistry, chemische Verfahrenstechnik, Computational Chemistry, Allg. Chemische Verfahrenstechnik, Technische u. Industrielle Chemie, Computational Chemistry u. Molecular Modeling, Computational Chemistry & Molecular Modeling