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PART I: EQUILIBRIA
CHAPTER 1 Introduction
1.1 Introduction
1.2 Basis of separation
1.3 Adsorbents
1.3.1 Alumina
1.3.2 Silica gel
1.3.3 Activated carbon
1.3.4 Zeolite
1.4 Adsorption processes
1.5 The structure of the book
CHAPTER 2 Fundamentals of Pure Component Adsorption Equilibria
2.1 Introduction
2.2 Langmuir equation
2.2.1 Basic theory
2.2.2 Isosteric heat of adsorption[...]

CD-ROM
PART I: EQUILIBRIA
CHAPTER 1 Introduction
1.1 Introduction
1.2 Basis of separation
1.3 Adsorbents
1.3.1 Alumina
1.3.2 Silica gel
1.3.3 Activated carbon
1.3.4 Zeolite
1.4 Adsorption processes
1.5 The structure of the book
CHAPTER 2 Fundamentals of Pure Component Adsorption Equilibria
2.1 Introduction
2.2 Langmuir equation
2.2.1 Basic theory
2.2.2 Isosteric heat of adsorption
2.3 Isotherms based on the Gibbs approach
2.3.1 Basic theory
2.3.2 Linear isotherm
2.3.3 Volmer isotherm
2.3.4 Hill-de Boer isotherm
2.3.5 Fowler-Guggenheim equation
2.3.6 Harkins-Jura isotherm
2.3.7 Other isotherms from Gibbs equation
2.4 Multisite occupancy model of Nitta
2.4.1 Estimation of the adsorbate-adsorbate interaction energy
2.4.2 Special case
2.4.3 Extension to multicomponent systems
2.5 Mobile adsorption model of Nitta et al.
2.6 Lattice vacancy theory
2.7 Vacancy solution theory (VSM)
2.7.1 VSM-Wilson model
2.7.2 VSM-Flory-Huggin model
2.7.3 Isosteric heat of adsorption
2.8 2-D Equation of state (2D-EOS) adsorption isotherm
2.9 Concluding remarks
CHAPTER 3 Practical Approaches of Pure Component Adsorption Equilibria
3.1 Introduction
3.2 Empirical isotherm equations
3.2.1 Freundlich equation
3.2.2 Sips equation (Langmuir-Freundlich)
3.2.3 Toth equation
3.2.4 Unilan equation
3.2.5 Keller, Staudt and Toth's equation
3.2.6 Dubinin-Radushkevich equation
3.2.7 Jovanovich equation
3.2.8 Temkin equation
3.2.9 Summary of empirical equations
3.3 BET isotherm and modified BET isotherm
3.3.1 BET equation
3.3.2 Differential heat
3.3.3 BDDT classification
3.3.4 Comparison between van der Waals and the capillary condensation
3.3.5 Other modified versions of the BET equation
3.3.6 Aranovich's modified BET equations
3.4 Harkins-Jura, Halsey isotherms
3.5 Further discussion on the BET theory
3.5.1 Critical of the BET theory
3.5.2 Surface with adsorption energy higher than heat of liquefaction
3.6 FHH multilayer equation
3.7 Redhead's empirical isotherm
3.8 Summary of multilayer adsorption equations
3.9 Pore volume and pore size distribution
3.9.1 Basic theory
3.10 Approaches for the pore size distribution determination
3.10.1 Wheeler and Schull's method
3.10.2 Cranston and Inkley's method
3.10.3 De Boer method
3.11 Assessment of pore shape
3.11.1 Hysteresis loop
3.11.2 The t-method
3.11.3 The as method
3.12 Conclusion
Chapter 4 Pure Component Adsorption in Microporous Solids
4.1 Introduction
4.1.1 Experimental evidence of volume filling
4.1.2 Dispersive forces
4.1.3 Micropore filling theory
4.2 Dubinin equations
4.2.1 Dubinin-Radushkevich equation
4.2.2 Dubinin-Astakhov equation
4.2.3 Isosteric heat of adsorption and heat of immersion
4.3 Theoretical basis of the potential adsorption isotherms
4.4 Modified Dubinin equations for inhomogeneous microporous solids
4.4.1 Ideal inhomogeneous microporous solids
4.4.2 Solids with distribution in characteristic energy Eo
4.5 Solids with micropore size distribution
4.5.1 DR local isotherm and Gaussian distribution
4.5.2 DA local isotherm and Gamma micropore size distribution
4.6 Other approaches
4.6.1 Yang's approach
4.6.2 Schlunder's approach
4.6.3 Modified Antoine equation
4.7 Concluding remarks
CHAPTER 5 Multicomponent Adsorption Equilibria
5.1 Introduction
5.2 Langmurian multicomponent theory
5.2.1 Kinetic approach
5.2.2 Equilibrium approach
5.2.3 Empirical approaches based on the Langmuir equation
5.3 Ideal adsorption solution theory
5.3.1 The basic thermodynamic theory
5.3.2 Myers and Prausnitz theory
5.3.3 Practical considerations of the Myers-Prausnitz lAS equations
5.3.4 The Lewis relationship
5.3.5 General lAS algorithm: Specification of P and y
5.3.6 Thermodynamic justification of the extended Langmuir equation
5.3.7 Inverse lAS algorithm: Specification of CuT and Xi
5.3.8 Numerical example of the lAS theory
5.4 Fast lAS theory
5.4.1 Original fast lAS procedure
5.4.2 Modified fast lAS procedure
5.4.3 The initial guess for the hypothetical pure component pressure
5.4.4 The amount adsorbed
5.4.5 The FastIAS algorithm
5.4.6 Other cases
5.4.7 Summary
5.5 LeVan and Vermeulen approach for binary systems
5.5.1 Pure component Langmuir isotherm
5.5.2 Pure component Freundlich isotherm
5.6 Real adsorption solution theory
5.7 Multisite occupancy model of Nitta et al.
5.8 Mobile adsorption model of Nitta et al.
5.9 Potential theory
5.10 Other approaches
5.11 Conclusions
CHAPTER 6 Heterogeneous Adsorption Equilibria
6.1 Introduction
6.2 Langmuir approach
6.2.1 Isosteric heat of adsorption
6.3 Energy distribution approach
6.3.1 Random topography
6.3.2 Patchwise topography
6.3.3 The maximum adsorption capacity
6.3.4 Other local adsorption isotherm & energy distribution
6.4 Isosteric heat
6.5 Brunauer, Love and Keenan approach
6.5.1 BLK equation versus the Unilan equation
6.6 Hobson approach
6.7 DR/DA as local isotherm
6.8 Distribution of Henry constant
6.8.1 The energy distribution
6.9 Distribution offree energy approach
6.9.1 Water adsorption in activated carbon
6.9.2 Hydrocarbon adsorption in activated carbon
6.10 Relationship between slit shape micropore and adsorption energy
6.10.1 Two atoms or molecules interaction
6.10.2 An atom or molecule and a lattice plane
6.10.3 An atom or molecule and a slab
6.10.4 A species and two parallel lattice planes
6.10.5 A species and two parallel slabs
6.10.6 Adsorption isotherm for slit shape pore
6.10.7 An atom or molecule and two parallel lattice planes with sublattice layers
6.11 Horvarth and Kawazoe's approach on micropore size distribution
6.11.1 The basic theory
6.11.2 Differential heat
6.11.3 Model parameters
6.11.4 Applications
6.12 Cylindrical pores
6.12.1 A molecule and a cylindrical surface
6.12.2 A molecule and a cylindrical slab
6.12.3 Adsorption in a cylindrical pore
6.13 Adsorption-condensation theory of Sircar
6.13.1 Mesoporous solid
6.13.2 Micropore-mesoporous solids
6.14 Conclusion
PART Il KlNETICS
CHAPTER 7 Fundamentals of Diffusion and Adsorption in Porous Media
7.1 Introduction
7.1.1 Historical development
7.2 Devices used to measure diffusion in porous solids
7.2.1 Graham's system
7.2.2 Hoogschagen's system
7.2.3 Graham and Loschmidt's systems
7.2.4 Stefan tube
7.2.5 Diffusion cell
7.3 Modes of transport
7.4 Knudsen diffusion
7.4.1 Thin orifice
7.4.2 Cylindrical capillary
7.4.3 Converging or diverging capillary
7.4.4 Porous solids
7.4.5 Graham's law of effusion
7.5 Viscous flow
7.5.1 Viscous flux in a capillary
7.5.2 Porous media: Parallel capillaries model
7.5.3 Porous media: Unconsolidated packed bed model
7.6 Transition between the viscous flow and Knudsen flow
7.6.1 Extension from viscous flow analysis
7.6.2 Steady state flow when viscous and slip mechanisms are operating
7.6.3 Semi-empirical relation by Knudsen
7.6.4 Porous media
7.7 Continuum diffusion
7.7.1 Binary diffusivity
7.7.2 Constitutive flux equation for a binary mixture in a capillary
7.7.3 Porous medium
7.8 Combined bulk and Knudsen diffusion
7.8.1 Uniform cylindrical capillary
7.8.2 Porous solids
7.8.3 Model for tortuosity
7.9 Surface diffusion
7.9.1 Characteristics of surface diffusion
7.9.2 Flux equation
7.9.3 Temperature dependence of surface diffusivity
7.9.4 Surface diffusion variation with pore size
7.9.5 Surface diffusivity models
7.10 Concluding remarks
CHAPTER 8 Diffusion in Porous Media: Maxwell-Stefan Approach
8.1 Introduction
8.2 Diffusion in ideal gaseous mixture
8.2.1 Stefan-Maxwell equation for binary systems
8.2.2 Stefan-MaXwell equation for ternary systems
8.2.3 Stefan-Maxwell equation for the N-multicomponent system
8.2.4 Stefan tube with binary system
8.2.5 Stefan tube for ternary system
8.2.6 Stefan tube with n component mixtures
8.3 Transient diffusion of ideal gaseous mixtures in Loschmidt's tube
8.3.1 The mass balance equations
8.3.2 The overall mass balance
8.3.3 Numerical analysis
8.4 Transient diffusion of ideal gaseous mixtures in two bulb method
8.4.1 The overall mass balance equation
8.4.2 Nondimensionalization of the mass balance equations
8.5 Diffusion in nonideal fluids 1
8.5.1 The driving force for diffusion
8.5.2 The Maxwell-Stefan equation for nonideal fluids
8.5.3 Special case: Ideal fluids
8.5.4 Table offormula of constitutive relations
8.6 Maxwell-Stefan formulation for bulk-Knudsen diffusion in capillary
8.6.1 Non-ideal systems
8.6.2 Formulas for bulk-Knudsen diffusion case
8.6.3 Steady state multicomponent system at constant pressure conditions
8.7 Stefan-Maxwell approach for bulk-Knudsen diffusion in complex ..
8.7.1 Bundle of parallel capillaries
8.7.2 Capillaries in series
8.7.3 A simple pore network
8.8 Stefan-Maxwell approach for bulk-Knudsen-viscous flow
8.8.1 The basic equation written in terms of fluxes N
8.8.2 The basic equations written in terms of diffusive fluxes J
8.8.3 Another form of basic equations in terms of N
8.8.4 Limiting cases
8.9 Transient analysis of bulk-Knudsen-viscous flow in a capillary
8.9.1 Nondimensional equations
8.10 Maxwell-Stefan for surface diffusion
8.10.1 Surface diffusivity of single species
8.11 Conclusision
CHAPTER 9 Analysis of Adsorption Kinetics in a Single Homogeneous Particle
9.1 Introduction
9.2 Adsorption models for isothermal single component systems
9.2.1 Linear isotherms
9.2.2 Nonlinear models
9.3 Adsorption model for nonisothermal single component systems
9.3.1 Problem formulation
9.4 Finite kinetics adsorption model for single component systems
9.5 Multicomponent adsorption models for a porous solid: Isothermal
9.5.1 Pore volume flux vector Np
9.5.2 Flux vector in the adsorbed phase
9.5.3 The working mass balance equation
9.5.4 Nondimensionalization
9.6 Nonisothermal model for multicomponent systems
9.6.1 The working mass and heat balance equations
9.6.2 The working nondimensional mass and heat balance equations
9.6.3 Extended Langmuir isotherm
9.7 Conclusion
CHAPTER 10 Analysis of Adsorption Kinetics in a Zeolite Particle
10.1 Introduction
10.2 Single component micropore diffusion (Isothermal)
10.2.1 The necessary flux equation
10.2.2 The mass balance equation
10.3 Nonisothermal single component adsorption in a crystal
10.3.1 Governing equations
10.3.2 Nondimensional equations
10.3.3 Langmuir isotherm
10.4 Bimodal diffusion models
10.4.1 The length scale and the time scale of diffusion
10.4.2 The mass balance equations
10.4.3 Linear isotherm
10.4.4 Irreversible isotherm
10.4.5 Nonlinear isotherm and nonisothermal conditions
10.5 Multicomponent adsorption in an isothermal crystal
10.5.1 Diffusion flux expression in a crystal
10.5.2 The mass balance equation in a zeolite crystal
10.6 Multicomponent adsorption in a crystal: Nonisothermal
10.6.1 Flux expression in a crystal
10.6.2 The coupled mass and heat balance equations
10.7 Multicomponent adsorption in a zeolite pellet: Non isothermal
10.8 Conclusion
CHAPTER 11 Analysis of Adsorption Kinetics in a Heterogeneous Particle
11.1 Introduction
11.2 Heterogeneous diffusion & sorption models
11.2.1 Adsorption isotherm
11.2.2 Constitutive flux equation
11.3 Formulation of the model for single component systems
11.3.1 Simulations
11.4 Experimental section
11.4.1 Adsorbent and gases
11.4.2 Differential adsorption bed apparatus (DAB)
11.4.3 Differential Adsorption Bed procedure
11.5 Results & Discussion
11.6 Formulation of sorption kinetics in multicomponent systems
11.6.1 Adsorption isotherm
11.6.2 Local flux of species k
11.6.3 Mass balance equations
11.7 Micropore size distribution induced heterogeneity
11.8 Conclusions
PART III: MEASUREMENT TECHNIQUES
CHAPTER 12 Time Lag in Diffusion and Adsorption in Porous Media
12.1 Introduction
12.2 Nonadsorbing gas with Knudsen flow
12.2.1 Adsorption: Medium is initially free from adsorbate
12.2.2 Medium initially contains diffusing molecules
12.3 Frisch's analysis (1957-1959) on time lag
12.3.1 Adsorption
12.3.2 General boundary conditions
12.4 Nonadsorbing gas with viscous flow
12.5 Time lag in porous media with adsorption
12.5.1 Linear isotherm
12.5.2 Finite adsorption
12.5.3 Nonlinear isotherm
12.6 Further consideration of the time lag method
12.6.1 Steady state concentration
12.6.2 Functional dependence of the diffusion coefficient
12.6.3 Further about time lag
12.7 Other considerations
12.8 Conclusion
CHAPTER 13 Analysis of Steady State and Transient Diffusion Cells
13.1 Introduction
13.2 Wicke-Kallanbach diffusion cell
13.3 Transient diffusion cell
13.3.1 Mass balance around the two chambers
13.3.2 The type of perturbation
13.3.3 Mass balance in the particle
13.3.4 The moment analysis
13.3.5 Moment analysis of non-adsorbing gas
13.3.6 Moment analysis of adsorbing gas
13.4 Conclusion
CHAPTER 14 Adsorption & Diffusivity Measurement by Chromatography Method
14.1 Introduction
14.2 The methodology
14.2.1 The general formulation of mass balance equation
14.2.2 The initial condition
14.2.3 The moment method
14.3 Pore diffusion model with local equilibrium
14.3.1 Parameter determination
14.3.2 Quality of the chromatographic response
14.4 Parallel diffusion model with local equilibrium
14.5 Pore diffusion model with linear adsorption kinetics
14.6 Bi-dispersed solid with local equilibrium
14.6.1 Uniform grain size
14.6.2 Distribution of grain size
14.7 Bi-dispersed solid (alumina type) chromatography
14.8 Perturbation chromatography
14.9 Concluding remarks
CHAPTER 15 Analysis of Batch Adsorber
15.1 Introduction
15.2 The general formulation of mass balance equation
15.2.1 The initial condition
15.2.2 The overall mass balance equation
15.3 Pore diffusion model with local equilibrium
15.3.1 Linear isotherm
15.3.2 Irreversible adsorption isotherm
15.3.3 Nonlinear adsorption isotherm
15.4 Concluding remarks
Table of Computer MatLab Programs
Nomenclature
Constants and Units Conversion
Appendices
Appendix 3.1: Isosteric heat of the Sips equation (3.2-18)
Appendix 3.2: Isosteric heat of the Toth equation (3.2-19)
Appendix 3.3: Isosteric heat of the Unilan equation (3.2-23)
Appendix 6.1: Energy potential between a species and surface atoms
Appendix 8.1: The momentum transfer of molecular collision
Appendix 8.2: Solving the Stefan-Maxwell equations (8.2-97 and 8.2-98)
Appendix 8.3: Collocation analysis of eqs. (8.3-16) and (8.3-17)
Appendix 8.4: Collocation analysis of eqs. (8.4-13) to (8.4-15)
Appendix 8.5: The correct form of the Stefan-Maxwell equation
Appendix 8.6: Equivalence of two matrix functions
Appendix 8.7: Alternative derivation of the basic equation for bulk-Knudsen-vis..
Appendix 8.8: Derivation of eq.(8.8-19a)
Appendix 8.9: Collocation analysis of model equations (8.9-10)
Appendix 9.1: Collocation analysis of a diffusion equation (9.2-3)
Appendix 9.2: The first ten eigenvalues for the three shapes of particle
Appendix 9.3: Collocation analysis of eq. (9.2-47)
Appendix 9.4: Collocation analysis of eqs. (9.3-19)
Appendix 9.5: Mass exchange kinetics expressions
Appendix 9.6: Collocation analysis ofmodel equations (9.5-26)
Appendix 9.7: Collocation analysis of eqs. (9.6-24)
Appendix 10.1: Orthogonal collocation analysis of eqs. (10.2-38) to (10.2-40)
Appendix 10.2: Orthogonal collocation analysis eqs. (10.3-8) to (10.3-10)
Appendix 10.3: Order of magnitude of heat transfer parameters
Appendix 10.4: Collocation analysis eqs. (10.4-45)
Appendix 10.5: Orthogonal collocation analysis of eq. (10.5-22)
Appendix 10.6: Orthogonal collocation analysis of (eqs. 10.6-25)
Appendix 12.1: Laplace transform for the finit kinetic case