Contents 1 Simulation of industrial scale distillation column 1 1.1 History of distillation process modeling 2 1.2 Description of conventional model 3 1.3 Computational mass transfer (CMT) model: Simulation of concentration distribution and others 49 1.4 Summary 90 References 96 2 Operational region of distillation column 102 2.1 Hydrodynamic region of sieve tray 102 2.2 Hydrodynamic of packed column 130 2.3 Falling film column 133 References 140 3 Unsteady distillation 141 3.1 Batch distillation 141 3.2 Start-up of close boiling distillation column 168 3.3 Comparison of unsteady dynamics by using different distillation models 187 3.4 Dynamic response of distillation column 190 References 193 4 Bubble behaviors 194 4.1 Evolution of bubblesin distillation column 194 4.2 Micro behaviors near interface 207 4.3 Fluid velocity around a rising bubble 212 References 220 5 Development of extended computational mass transfer 221 5.1 Model equation of macro process transfer 223 5.2 Computational methodology 242 5.3 Summary 270 References 272 6 Mass transfer in binary and multi-component systems 273 6.1 Mass transfer rate in binary (two-component) system 273 6.2 Mass transfer in multi-component system 288 6.3 Application of multi-component mass transfer equation 293 6.4 Verification of simulated result 300 Referrences 306 7 Concentration fields near interface 307 7.1 Micro behaviors near interface 307 7.2 Concentration at bubble interface 308 7.3 Multi-scale theory of interfacial mass transfer 316 7.4 Experimental verification 324 7.5 Discussion 325 7.6 Summary 325 References 327 8 Interfacial convection and enhancement of mass transfer 328 8.1 Interfacial convection 328 8.2 Simulation of Marangoni convection 333 8.3 Rayleigh convection 349 8.4 Enhancement of mass transfer by interfacial convection 363 8.5 Summary 391 References 393 9 Multi-scale simulation: from interface to bulk fluid 395 9.1 Distribution model 396 9.2 Disturbance model 397 9.3 Interfacial hybrid model: Fixed point interfacial disturbance model 400 9.4 Interfacial hybrid model: Uniformly distributed multi-points of disturbance at interface 408 9.5 Interfacial hybrid model: Non-uniformly distributed multi-points disturbance at interface 410 9.6 Interfacial hybrid model: Random disturbance model 411 9.7 Interfacial hybrid model: Self-renewable interface model 415 9.8 Conversion of LB model to Navier-Stoles equation 420 9.9 Summary 422 References 425 10 Thermodynamic of mass transfer process 426 10.1 Thermodynamic analysis 426 10.2 Determination of vapor-liquid equilibrium composition 442 References 455 11 Process energy utilization for a distillation column 456 11.1 Methods of energy saving for distillation 456 11.2 Dividing wall distillation column 468 11.3 Energy saving by using efficient column structure and internals 475 11.4 Energy saving by hybrid distillation process 479 11.5 Energy saving by reducing the heat loss to the environment 479 11.6 Energy saving by reducing the irreversibility loss 479 11.7 Energy saving by heat integration of distillation column system 479 References 491 12 Engineering practice of distillation 493 12.1 Development of novel “window induced flow” modular structured packing (Winpak) 493 12.2 Engineering retrofit of refinery vacuum column 503 12.3 Engineering retrofit of ethyl benzene/styrene distillation system 508 12.4 Development of novel adsorptive distillation 510 References 521 Postscript 523