Preface ix
CHAPTER 1 Introduction 1
CHAPTER 2 Fluid fow and mass transfer on particle scale 5
2 1 Introduction 5
2 2 Theoretical basis 6
2 2 1 Fluid mechanics 6
2 2 2 Mass transfer 7
2 2 3 Interfacial force balance 8
2 2 4 Interfacial mass transport 9
2 3 Numerical methods 10
2 3 1 Orthogonal boundary-ftted coordinate system 10
2 3 2 Level set method 15
2 3 3 Mirror fuid method 21
2 4 Buoyancy-driven motion and mass transfer
of a single particle 24
2 4 1 Drop, bubble and solid particle motion 25
2 4 2 Mass transfer to/from a drop 34
2 5 Mass transfer-induced Marangoni effect 37
2 5 1 Solute-induced Marangoni effect 37
2 5 2 Effect of surfactant on drop motion and mass transfer 40
2 5 3 Surfactant-induced Marangoni effect 48
2 6 Behavior of particle swarms 50
2 6 1 Introduction 50
2 6 2 Forces on single particles 52
2 6 3 Cell model 56
2 7 Single particles in shear fow and extensional fow 59
2 7 1 Mass/heat transfer from a spherical particle
in extensional fow 60
2 7 2 Flow and transport from a sphere in simple
shear fow 61
2 8 Summary and perspective 63
2 8 1 Summary 63
2 8 2 Perspective 65
Nomenclature 67
References 68
CHAPTER 3 Multiphase stirred reactors 75
3 1 Introduction 75
3 2 Mathematical models and numerical methods 76
3 2 1 Governing equations 78
3 2 2 Interphase momentum exchange 78
3 2 3 RANS method 80
3 2 4 LES model 86
3 2 5 Impeller treatment 88
3 2 6 Numerical details 92
3 3 Two-phase fow in stirred tanks 96
3 3 1 Solid–liquid systems 96
3 3 2 Gas–liquid systems 106
3 3 3 Liquid–liquid systems 121
3 4 Three-phase fow in stirred tanks 129
3 4 1 Liquid–liquid–solid systems 129
3 4 2 Gas–liquid–liquid systems 133
3 4 3 Liquid–liquid–liquid systems 134
3 4 4 Gas–liquid–solid systems 135
3 5 Summary and perspective 138
3 5 1 Summary 138
3 5 2 Perspective 141
Nomenclature 142
References 145
CHAPTER 4 Airlift loop reactors 153
4 1 Introduction 153
4 2 Flow regime identifcation 154
4 3 Mathematical models and numerical methods 157
4 3 1 Eulerian–Eulerian two-fuid model 158
4 3 2 Closure of interfacial forces 159
4 3 3 Closure of turbulence models 181
4 3 4 Numerical methods 183
4 4 Hydrodynamics and transport in airlift loop reactors 194
4 4 1 Hydrodynamic behavior 194
4 4 2 Interphase transport phenomena 196
4 5 Macromixing and micromixing 202
4 5 1 Macromixing in airlift loop reactors 203
4 5 2 Micromixing in airlift loop reactors 211
4 6 Guidelines for design and scale-up of airlift loop reactors 214
4 7 Summary and perspective 217
Nomenclature 218
References 220
CHAPTER 5 Preliminary investigation of two-phase
microreactors 231
5 1 Introduction 231
5 2 Mathematical models and numerical methods 232
5 3 Simulation using lattice Boltzmann method 236
5 3 1 Numerical simulation of two-phase fow
in microchannels 236
5 3 2 Numerical study of heat transfer in microchannels 240
5 3 3 Numerical simulation of mass transfer
in microchannels 241
5 4 Experimental 246
5 4 1 Flow pattern 246
5 4 2 Pressure drop 249
5 4 3 Mass transfer performance 250
5 4 4 Micromixing 251
5 5 Summary and perspective 251
Nomenclature 253
References 254
CHAPTER 6 Crystallizers: CFD–PBE modeling 263
6 1 Introduction 263
6 2 Mathematical models and numerical methods 264
6 2 1 General population balance equation 264
6 2 2 Standard method of moments 266
6 2 3 Quadrature method of moments 268
6 2 4 Multi-class method or discretized method 269
6 3 Crystallizer modeling procedures 272
6 3 1 Species transport equations 273
6 3 2 Nucleation and growth kinetics 273
6 3 3 Aggregation and breakage kernels 274
6 3 4 Computational details 276
6 3 5 Simulated results of precipitation processes 277
6 4 Macromixing and micromixing 281
6 5 Summary and perspective 286
Nomenclature 288
References 289
Index 295