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基本説明
Provides a detailed treatment of density functional theory in the study of fluid adsorption in enclosed porous systems.
Full Description
As nanomaterials get smaller, their properties increasingly diverge from their bulk material counterparts. Written from a materials science perspective, Adsorption and Diffusion in Nanoporous Materials describes the methodology for using single-component gas adsorption and diffusion measurements to characterize nanoporous solids.
Concise, yet comprehensive, the book covers both equilibrium adsorption and adsorption kinetics in dynamic systems in a single source. It presents the theoretical and mathematical tools for analyzing microporosity, kinetics, thermodynamics, and transport processes of the adsorbent surface. Then it examines how these measurements elucidate structural and morphological characteristics of the materials. Detailed descriptions of the phenomena include diagrams, essential equations, and fully derived, concrete examples based on the author's own research experiences and insight. The book contains chapters on statistical physics, dynamic adsorption in plug flow bed reactors, and the synthesis and modification of important nanoporous materials. The final chapter covers the principles and applications of adsorption for multicomponent systems in the liquid phase.
Connecting recent advances in adsorption characterization with developments in the transport and diffusion of nanoporous materials, this book is ideal for scientists involved in the research, development, and applications of new nanoporous materials.
Contents
STATISTICAL MECHANICS
Definition of Microstate and Macrostate
Definition of Ensemble
The Canonical Ensemble
Evaluation of α and ß for the Canonical Ensemble
The Grand Canonical Ensemble
Evaluation of α, ß, and γ for the Grand Canonical Ensemble
Canonical Partition Function for a System of Noninteracting Particles
Factorization of the Molecular Partition Function
Density Functional Theory (DFT)
Thermodynamics of Irreversible Processes
Statistical Mechanics of Irreversible Processes
Appendix: Legendre Transformations
Appendix: The Lagrange Multipliers
Appendix: Methods of Counting
Appendix: Calculus of Variations
GENERAL INTRODUCTION TO ADSORPTION IN SOLIDS
Definitions and Terminology
Interfacial Layer, Gibbs Dividing Surface, and Gibbs Adsorption
Thermodynamics of Gas-Solid Adsorption
Gases and Vapors Adsorption in Porous Materials
Some Examples of the Application of the Volumetric Method
MICROPOROSITY AND SURFACE AREA EVALUATION
The Dubinin and Osmotic Adsorption Isotherms
Langmuir and Fowler-Guggenheim Type Adsorption Isotherm Equations
The t-Plot Method
Additional Comments about the Application of the Dubinin and Osmotic Isotherms, the LT and the FGT Isotherm Equation Types, and the t-Plot Method in the Measurement of the Micropore Volume
The BET Method
Horvath-Kawazoe Method
NANOPOROUS MATERIALS MESOPOROSITY EVALUATION
Capillary Condensation
Macroscopic Theories to Describe Pore Condensation
Density Functional Theory
DIFFUSION IN POROUS MATERIALS
Fick's Laws
Transport, Self-Diffusion, and Corrected Coefficients
Mean Square Displacement, the Random Walker, and Gaseous Diffusion
Transport Mechanisms in Porous Media
Viscous, Knudsen, and Transition Flows
Viscous and Knudsen Flows in Model Porous Systems
Transport in Real Porous Systems: Membranes
Diffusion in Microporous Materials: Zeolites and Related Materials
THE PLUG-FLOW ADSORPTION REACTOR
Dynamic Adsorption
The Plug-Flow Adsorption Reactor Model
Appendix: Laplace Transforms
AMORPHOUS POROUS ADSORBENTS: SILICA AND ACTIVE CARBON
Basic Features of Amorphous Silica
Amorphous Silica Morphology and Surface Chemistry
Precipitated Amorphous Silica Synthesis
Silica Modification
Fundamental Characteristics of Active Carbon
Active Carbon Morphology, Surface Chemistry, and Surface Modification
Active Carbon Production Methods
Some Applications of Precipitated Silica in Gas Phase Adsorption Processes
Some Applications of Activated Carbons and Other Carbonaceous Materials in Gas-Phase Adsorption Processes
CRYSTALLINE AND ORDERED NANOPOROUS MATERIALS
Fundamental Characteristics of Zeolites and Mesoporous Molecular Sieves
Structure
Synthesis and Modification
Some Applications of Crystalline and Ordered Nanoporous Materials in Gas Separation and Adsorption Processes
ADSORPTION FROM LIQUID SOLUTION
Surface Excess Amount and Amount of Adsorption for Liquid-Solid Adsorption Systems
Empirical Adsorption Isotherms Applied for the Correlation of Liquid-Solid Adsorption Equilibria in Systems Containing One Dissolved Component
Model Description of Adsorption from the Liquid Phase on Solids
Some Applications of Liquid-Solid Adsorption
*All Chapters Contain an Introduction and References
Index
