Introduction to Computational Mass Transfer With Applications to Chemical Engineering 2nd Edition by Kuo Tsung Yu, Xigang Yuan ISBN 9811024979 9789811024979

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ISBN 10:    9811024979
ISBN 13: 978-9811024979
Author:      Kuo-Tsung Yu, Xigang Yuan

This book offers an easy-to-understand introduction to the computational mass transfer (CMT) method. On the basis of the contents of the first edition, this new edition is characterized by the following additional materials. It describes the successful application of this method to the simulation of the mass transfer process in a fluidized bed, as well as recent investigations and computing methods for predictions for the multi-component mass transfer process. It also demonstrates the general issues concerning computational methods for simulating the mass transfer of the rising bubble process. This new edition has been reorganized by moving the preparatory materials for Computational Fluid Dynamics (CFD) and Computational Heat Transfer into appendices, additions of new chapters, and including three new appendices on, respectively, generalized representation of the two-equation model for the CMT, derivation of the equilibrium distribution function in the lattice-Boltzmann method, and derivation of the Navier-Stokes equation using the lattice-Boltzmann model. This book is a valuable resource for researchers and graduate students in the fields of computational methodologies for the numerical simulation of fluid dynamics, mass and/or heat transfer involved in separation processes (distillation, absorption, extraction, adsorption etc.), chemical/biochemical reactions, and other related processes.

Introduction to Computational Mass Transfer With Applications to Chemical Engineering 2nd Table of contents:

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1. Basic Models of Computational Mass Transfer

Abstract
1.1 Equation of Mass Conservation and Its Closure
1.2 Turbulent Mass Diffusivity Model
1.3 Conventional Turbulent Mass Diffusivity Model
   1.3.1 Turbulent Schmidt Number Model
   1.3.2 Inert Tracer Model
1.4 varvecc′2‾−varvecεvarveccoverline{{{varvec c}^{{{bf prime }}textbf{2}}} } – {varvec varepsilon}_{{varvec c}}varvecc′2​−varvecεvarvecc​ Model
   1.4.1 The varvecc′2‾overline{{{varvec c}^{{{bf prime }}textbf{2}} }}varvecc′2​ and {varvec εvarepsilonε}
   1.4.2 The varvecc′2‾−varvecεvarveccoverline{{{varvec c}^{{{bf prime }}textbf{2}} }} – {varvec varepsilon}_{{{varvec c}}}varvecc′2​−varvecεvarvecc​
   1.4.3 Determination of Boundary Conditions
   1.4.4 Experimental Verification of Model Prediction
   1.4.5 Analogy Between Transport Diffusivities
   1.4.6 Generalized Equations of Two-Equation Model
1.5 Reynolds Mass Flux Model
   1.5.1 Standard Reynolds Mass Flux Model
      1.5.1.1 Model Equation Set
      1.5.1.2 Determination of Boundary Conditions
      1.5.1.3 Influence of Reynolds Mass Flux on Mass Transfer
      1.5.1.4 Anisotropic Turbulent Mass Diffusivity
   1.5.2 Hybrid Reynolds Mass Flux Model
   1.5.3 Algebraic Reynolds Mass Flux Model
1.6 Simulation of Gas (Vapor)–Liquid Two-Phase Flow
1.7 Model System of CMT Process Computation
1.8 Summary
References

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2. Application of Computational Mass Transfer (I) Distillation Process

Abstract
2.1 Tray Column
   2.1.1 (overline{{c^{prime 2} }} – varepsilon_{{c{prime }}} Two-Equation Model
      2.1.1.1 Model Equations
      2.1.1.2 Evaluation of Source Terms
      2.1.1.3 Boundary Conditions
      2.1.1.4 Simulated Results and Verification (I)—Separation of n-Heptane and Methylcyclohexane
      2.1.1.5 Simulated Results and Verification (II)—Stripping of Toluene from Dilute Water Solution
      2.1.1.6 Prediction of Tray Efficiency for Different Tray Structures
   2.1.2 Reynolds Mass Flux Model
      2.1.2.1 Standard Reynolds Mass Flux Model
      2.1.2.2 Hybrid Reynolds Mass Flux Model
      2.1.2.3 Algebraic Reynolds Mass Flux Model
   2.1.3 Prediction of Multicomponent Point Efficiency
      2.1.3.1 Difference Between Binary and Multicomponent Point Efficiency
      2.1.3.2 The Oldershaw Sieve Tray
      2.1.3.3 Experimental Work on Multicomponent Tray Efficiency
      2.1.3.4 Simulation Model for Point Efficiency
      2.1.3.5 Simulated Results and Comparison with Experimental Data
      2.1.3.6 The Bizarre Phenomena of Multicomponent System
2.2 Packed Column
   2.2.1 (overline{{c^{prime 2} }} – varepsilon_{c} Two-Equation Model
      2.2.1.1 Modeling Equations
      2.2.1.2 Boundary Conditions
      2.2.1.3 Evaluation of Source Term
      2.2.1.4 Simulated Result and Verification—Separation of Methylcyclohexane and n-Heptane
   2.2.2 Reynolds Mass Flux Model
      2.2.2.1 Standard Reynolds Mass Flux Model
      2.2.2.2 Hybrid Reynolds Mass Flux Model
      2.2.2.3 Algebraic Reynolds Mass Flux Model
2.3 Separation of Benzene and Thiophene by Extractive Distillation
2.4 Summary
References

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3. Application of Computational Mass Transfer (II) Chemical Absorption Process

Abstract
3.1 (overline{{c^{{{prime }2}} }} – varepsilon_{c} Two-Equation Model
   3.1.1 Absorption of CO2 by Aqueous MEA in Packed Column
      3.1.1.1 Chemical Reaction Between CO2 and Aqueous MEA
      3.1.1.2 Evaluation of Source Terms
      3.1.1.3 Simulated Results and Verification
   3.1.2 Absorption of CO2 by Aqueous AMP in Packed Column
      3.1.2.1 Chemical Reaction Between AMP and CO2
      3.1.2.2 Simulated Results and Verification
   3.1.3 Absorption of CO2 by Aqueous NaOH in Packed Column
      3.1.3.1 Chemical Reaction Between NaOH and CO2
      3.1.3.2 Simulated Results and Verification
3.2 Reynolds Mass Flux Model
   3.2.1 Absorption of CO2 by Aqueous MEA in Packed Column
      3.2.1.1 Simulated Results and Verification
      3.2.1.2 Anisotropic Mass Diffusivity
   3.2.2 The Absorption of CO2 by Aqueous NaOH in Packed Column
      3.2.2.1 The Simulated Results and Verification
      3.2.2.2 The Anisotropic Mass Diffusivity
3.3 Summary
References

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4. Application of Computational Mass Transfer (III) Adsorption Process

Abstract
4.1 overline{{{bf c}^{{{prime }{bf 2}}} }} – {varvec varepsilon}_{{bf c}} Two-Equation Model    4.1.1 (overline{{{bf c}^{{{prime }{bf 2}}} }} – {varvec varepsilon}_{{bf c}^{prime}} Model Equations
   4.1.2 Boundary Conditions
   4.1.3 Evaluation of Source Terms
   4.1.4 Simulated Results and Verification
   4.1.5 Simulation for Desorption (Regeneration) and Verification
4.2 Reynolds Mass Flux Model
   4.2.1 Model Equations
   4.2.2 Simulated Results and Verification
   4.2.3 Simulation for Desorption (Regeneration) and Verification
4.3 Summary
References

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5. Application of Computational Mass Transfer (IV) Fixed-Bed Catalytic Reaction

Abstract
5.1 c′2−varvecεc‾overline{{{bf c^{{{prime 2}}} }} – varvecvarepsilon_{{bf c}}}c′2−varvecεc​​ Two-Equation Model for Catalytic Reactions
   5.1.1 Model Equation
   5.1.2 Boundary Conditions
   5.1.3 Determination of the Source Terms
   5.1.4 The Simulated Wall-Cooled Catalytic Reactor
   5.1.5 Simulated Result and Verification
5.2 Reynolds Mass Flux Model for Catalytic Reactor
   5.2.1 Model Equations
   5.2.2 Simulated Result and Verification
   5.2.3 The Anisotropic Mass Diffusivity
5.3 Summary
References

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6. Application of Computational Mass Transfer (V) Fluidized Chemical Process

Abstract
6.1 Flow Characteristics of Fluidized Bed
6.2 $\mathbf{c}\prime 2-\epsilon \mathbf{c}$ Two-Equation Model for Simulating Fluidized Processes
   6.2.1 The Removal of CO2 in Flue Gas in FFB Reactor
   6.2.2 Simulation of Ozone Decomposition in the Downer of CFB Reactor
6.3 Reynolds Mass Flux Model for Simulating Fluidized Process
   6.3.1 Model Equations
   6.3.2 Simulation of the Riser in CFB Ozone Decomposition
   6.3.3 Simulation of the Downer in CFB Ozone Decomposition
6.4 Summary
References

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7. Mass Transfer in Multicomponent Systems

Abstract
7.1 Mass Transfer Rate in Two-Component (Binary) System
7.2 Mass Transfer in Multicomponent System
   7.2.1 Generalized Fick’s Law
   7.2.2 Maxwell–Stefan Equation
7.3 Application of Multicomponent Mass Transfer Equation
   7.3.1 Prediction of Point Efficiency of Tray Column
   7.3.2 Two-Regime Model for Point Efficiency Simulation
   7.3.3 Example of Simulation
7.4 Verification of Simulated Result
   7.4.1 Experimental Work
   7.4.2 Comparison of Simulation with Experimental
   7.4.3 The Bizarre Phenomena of Multicomponent System
7.5 Determination of Vapor–Liquid Equilibrium Composition
   7.5.1 Thermodynamic Relationship of Nonideal Solution
   7.5.2 Prediction of Activity Coefficient: (1) Semi-empirical Equation
   7.5.3 Prediction of Activity Coefficient (2) Group Contribution Method
   7.5.4 Experimental Measurement of Activity Coefficient
7.6 Results and Discussion
7.7 Summary
References

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8. Micro Behaviors Around Rising Bubbles

Abstract
8.1 Fluid Velocity Near the Bubble Interface
   8.1.1 Model Equation of Velocity Distribution Near a Rising Bubble
   8.1.2 Experimental Measurement and Comparison with Model Prediction
8.2 Concentration Field Around a Bubble
   8.2.1 Concentration at Bubble Interface
   8.2.2 Interfacial Mass Transfer
8.3 Discussion
8.4 Summary
References

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9. Simulation of Interfacial Effect on Mass Transfer

Abstract
9.1 The Interfacial Effect
9.2 Experimental Observation of Interfacial Structure Induced by Marangoni Convection
   9.2.1 Stagnant Liquid and Horizontal Gas Flow
   9.2.2 Horizontal Concurrent Flow of Liquid and Gas
   9.2.3 Vertical (Falling Film) Countercurrent Flow of Liquid and Gas
9.3 The Condition for Initiating Marangoni Convection
9.4 Mass Transfer Enhancement by Marangoni Convection
9.5 Experiment on the Mass Transfer Enhancement by Interfacial Marangoni Convection
9.6 The Transition of Interfacial Structure from Order to Disorder
9.7 Theory of Mass Transfer with Consideration of Marangoni Effect
9.8 Simulation of Rayleigh Convection
9.9 Experimental Measurement of Rayleigh Convection
9.10 Simulation and Observation of Two-Dimensional Solute Convection at Interface
9.11 Marangoni Convection at Deformed Interface Under Simultaneous Mass and Heat Transfer
9.12 Summary
References

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10. Simulation of Interfacial Behaviors by the Lattice-Boltzmann Method

Abstract
10.1 Fundamentals of Lattice-Boltzmann Method
   10.1.1 From Lattice Gas Method to Lattice-Boltzmann Method
   10.1.2 Basic Equations of Lattice-Boltzmann Method
   10.1.3 Lattice-Boltzmann Method for Heat Transfer Process
   10.1.4 Lattice-Boltzmann Method for Mass Transfer Process
10.2 Simulation of Solute Diffusion from Interface to the Bulk Liquid
10.3 Fixed Point Interfacial Disturbance Model
   10.3.1 Single Local Point of Disturbance at Interface
   10.3.2 Influence of Physical Properties on the Solute Diffusion from Interface
   10.3.3 Uniformly Distributed Multi-points of Disturbance at Interface
   10.3.4 Nonuniformly Distributed Multi-points of Disturbance at Interface
10.4 Random Disturbance Interfacial Model
10.5 Self-renewable Interface Model
10.6 Summary

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