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 |  موضوع: كتاب Advanced Reactor Modeling with MATLAB - Case Studies with Solved Examples الثلاثاء 28 سبتمبر 2021, 12:39 am | |
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أخواني في الله
أحضرت لكم كتاب
Advanced Reactor Modeling with MATLAB
Riccardo Tesser, Vincenzo Russo
Case Studies with Solved Examples
و المحتوى كما يلي :
Contents
Preface VII
Chapter 1
Introduction on chemical reactors modeling 1
1.1 Chemical reactors modeling 1
1.2 Why Matlab? 3
List of symbols 5
References 6
Chapter 2
Batch reactors for homogeneous catalysis 7
2.1 Introduction 7
2.2 Single-phase reactors 7
2.2.1 Mass balance, isothermal reactor 7
2.2.2 Energy balance 17
2.3 Two-phase reactors 22
2.3.1 Gas–liquid two-phase reactor 22
2.3.2 Liquid–liquid two-phase reactor 33
2.4 Fed-batch reactors 45
List of symbols 48
References 49
Chapter 3
Batch reactors for heterogeneous catalysis 51
3.1 Introduction 51
3.2 Single particle modeling 51
3.2.1 Fluid–solid external mass transfer 51
3.2.2 Intraparticle mass and heat transfer 53
3.2.3 Simulation strategy: pdepe MATLAB function 59
3.2.4 Nonuniform active phase distributions 65
3.3 Fluid–solid batch reactors 70
3.3.1 Mass and energy balances derivation 70
3.3.2 Simulation strategy: finite difference method 71
3.4 Three-phase batch reactors 73
List of symbols 74
References 75Chapter 4
Ideal single-phase continuous reactors for homogeneous catalysis 77
4.1 Introduction 77
4.2 Continuous plug flow reactor 77
4.2.1 Mass balance, isothermal PFR reactor 78
4.2.2 Energy balance 86
4.3 Two-phase plug-flow reactors 92
4.3.1 Gas–liquid two-phase continuous PFR 92
4.3.2 Liquid–liquid two-phase tubular reactors 97
4.4 Continuous stirred tank reactor 104
4.4.1 Mass balance for a CSTR reactor 105
4.4.2 Energy balance for a CSTR reactor 110
4.4.3 Two-phase CSTR reactors 111
4.5 Numerical oscillations and instabilities in a CSTR reactor 120
4.6 PFR reactor with recycle 125
List of symbols 132
References 134
Chapter 5
Real reactors for heterogeneous catalysis 135
5.1 Introduction 135
5.2 Tank-in-series model 136
5.3 Axial dispersion model 139
5.4 Laminar flow model 147
List of symbols 152
References 152
Chapter 6
Packed bed reactors 153
6.1 Introduction 153
6.2 Ideal packed bed reactor 153
6.3 Packed bed with axial and radial dispersion 167
6.4 Packed bed with fluid–solid mass transfer resistance 171
6.5 Intraparticle diffusion model 175
List of symbols 181
References 182
Chapter 7
Parameters estimation 183
7.1 Introduction 183
7.2 Common minimization strategies 183
7.2.1 Deterministic minimization algorithms 184
X Contents7.2.2 Evolutive minimization algorithms 185
7.3 Objective function definition 186
7.4 Statistics: confidence intervals, covariance and correlation
matrix 187
7.5 Quality of fit and discrimination among rival models 199
7.6 Sensitivity analysis 201
7.7 Residual analysis 202
7.8 Parity plot 216
List of symbols 225
References 226
Chapter 8
Statistical techniques applied to chemical processes 227
8.1 Introduction 227
8.2 Optimization 227
8.3 Design of experiments 254
List of symbols 261
References 263
Chapter 9
Case studies in chemical reaction engineering 265
9.1 Introduction 265
9.2 Shrinking particle model 265
9.2.1 Basic assumption of the model 266
9.2.2 Mass balances and film thickness 266
9.2.3 Dimensionless model and solution procedure 268
9.2.4 Contribution analysis 269
9.2.5 Simulation example 270
9.3 Falling film reactors modeling 272
9.3.1 Introduction 272
9.3.2 Reactor model 272
9.3.3 Modeling strategy 273
9.3.4 Simulation example 274
9.4 Microreactors modeling 277
9.4.1 Introduction 277
9.4.2 Modeling approach 277
9.4.3 Numerical methods 278
9.4.4 Modeling results of specific cases 278
9.5 Reactive chromatography modeling 279
9.5.1 Introduction 279
9.5.2 Chromatographic reactor model 280
Contents XI9.5.3 Modeling approach 281
9.5.4 Example of application 281
List of symbols 282
References 284
Word Index 287
Word Index
Aris–Taylor dispersion 139
Arrhenius equation 19
axial dispersion 167
Axial dispersion model 139
backmixing 135
Batch reactor 7
chemical reaction engineering 1
chemical reactors 1
Continuous stirred tank reactor 104
correlation matrix 189
covariance matrix 189
CSTR 104
determination coefficient 200
Deterministic minimization algorithms 184
discrimination among rival models 199
DOE 227, 254
effectiveness factor 57
Energy balance 17
Evolutionary algorithms 185
Falling film reactors modeling 272
Fed-batch reactors 45
finite difference methods 71
Fluid–solid batch reactors 70
Fluid–solid external mass transfer 51
fluid–solid mass transfer 171
fzero 126
gas–liquid CSTR 111
gas–liquid tubular reactor 93
general codes 5
global minimum 186
Henry’s constant 24
heterogeneous catalyst 51
ideal packed bed reactor 153
instabilities 120
Intraparticle mass and heat transfer 53
intraparticle mass transfer 175
isothermal reactor 7
laminar flow reactor 147
Linear programming 229
Liquid–liquid 33
liquid–liquid tubular reactor 98
Mass balance 7
Matlab 3
Microreactors modeling 277
multiple reaction 9
Nonlinear programming 229
Nonuniform active phase distributions 65
Numerical oscillations 120
objective function 187
Optimization problems 229
Packed bed reactor 153
parameters estimation 183
parity plot 216
PBR 153
pdepe 59, 141, 149, 167
PFR 78
PFR reactor with recycle 125
plug flow reactor 77
Radial dispersion 170
Reactive Chromatography modelling 279
residence time distribution 135
Residual analysis 202
RMS 188
RTD 135
sensitivity analysis 201
Shrinking particle model 265
Single particle modeling 51
tank-in-series model 136
Thiele modulus 56
Three-phase batch reactors 73
Two-phase reactors 22
Withman theory 33
Withman two-film theory 22
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