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Diffusion in Nanoporous Materials: InhaltsangabePreface XXVAcknowledgments XXIXContent of Volume 1Part I Introduction 11 Elementary Principles of Diffusion 31.1 Fundamental Definitions 41.2 Driving Force for Diffusion 121.3 Diffusional Resistances in Nanoporous Media 171.4 Experimental Methods 21Part II Theory 252 Diffusion as a Random Walk 272.1 Random Walk Model 272.2 Correlation Effects 332.3 Boundary Conditions 352.4 Macroscopic and Microscopic Diffusivities 422.5 Correlating Self-Diffusion and Diffusion with a Simple Jump Model 442.6 Anomalous Diffusion 473 Diffusion and Non-equilibrium Thermodynamics 593.1 Generalized Forces and Fluxes 593.2 Self-Diffusion and Diffusive Transport 653.3 Generalized Maxwell&ndash Stefan Equations 673.4 Application of the Maxwell&ndash Stefan Model 723.5 Loading Dependence of Self- and Transport Diffusivities 753.6 Diffusion at High Loadings and in Liquid-Filled Pores 804 Diffusion Mechanisms 854.1 Diffusion Regimes 854.2 Diffusion in Macro- and Mesopores 874.3 Activated Diffusion 994.4 Diffusion in More Open Micropore Systems 1065 Single-File Diffusion 1115.1 Infinitely Extended Single-File Systems 1125.2 Finite Single-File Systems 1195.3 Experimental Evidence 1326 Sorption Kinetics 1436.1 Resistances to Mass and Heat Transfer 1436.2 Mathematical Modeling of Sorption Kinetics 1456.3 Sorption Kinetics for Binary Mixtures 185Part III Molecular Modeling 1917 Constructing Molecular Models and Sampling Equilibrium Probability Distributions 1937.1 Models and Force Fields for Zeolite&ndash Sorbate Systems 1947.2 Monte Carlo Simulation Methods 2067.3 Free Energy Methods for Sorption Equilibria 2177.4 Coarse-Graining and Potentials of Mean Force 2228 Molecular Dynamics Simulations 2278.1 Statistical Mechanics of Diffusion 2278.2 Equilibrium Molecular Dynamics Simulations 2358.3 Non-equilibrium Molecular Dynamics Simulations 2659 Infrequent Event Techniques for Simulating Diffusion in Microporous Solids 2759.1 Statistical Mechanics of Infrequent Events 2769.2 Tracking Temporal Evolution in a Network of States 2929.3 Example Applications of Infrequent Event Analysis and Kinetic Monte Carlo for the Prediction of Diffusivities in Zeolites 296Part IV Measurement Methods 30310 Measurement of Elementary Diffusion Processes 30510.1 NMR Spectroscopy 30610.2 Diffusion Measurements by Neutron Scattering 32610.3 Diffusion Measurements by Light Scattering 33711 Diffusion Measurement by Monitoring Molecular Displacement 34711.1 Pulsed Field Gradient (PFG) NMR: Principle of Measurement 34811.2 The Complete Evidence of PFG NMR 35211.3 Experimental Conditions, Limitations, and Options for PFG NMR Diffusion Measur Permeation Methods of Measuring Intraparticle Diffusion 45914.1 Chromatographic Method 46014.2 Deviations from the Simple Theory 46814.3 Experimental Systems for Chromatographic Measurements 47014.4 Analysis of Experimental Data 47214.5 Variants of the Chromatographic Method 47914.6 Chromatography with Two Adsorbable Components 48114.7 Zero-Length Column (ZLC) Method 48314.8 TAP System 50014.9 Membrane Permeation Measurements 501Content of Volume 2Part V Diffusion in Selected Systems 51515 Amorphous Materials and Extracrystalline (Meso/Macro) Pores 51715.1 Diffusion in Amorphous Microporous Materials 51815.2 Effective Diffusivity 52415.3 Diffusion in Ordered Mesopores 52715.4 Diffusion through Mesoporous Membranes 53015.5 Surface Diffusion 53415.6 Diffusion in Liquid-Filled Pores 53815.7 Diffusion in Hierarchical Pore Systems 53915.8 Diffusion in Beds of Particles and Composite Particles 54515.9 More Complex Behavior: Presence of a Condensed Phase 55216 Eight-Ring Zeolites 56116.1 Eight-Ring Zeolite Structures 56116.2 Diffusion in Cation-Free Eight-Ring Structures 56716.3 Diffusion in 4A Zeolite 57116.4 Diffusion in 5A Zeolite 57316.5 General Patterns of Behavior in Type A Zeolites 58216.6 Window Blocking 58716.7 Variation of Diffusivity with Carbon Number 59316.8 Diffusion of Water Vapor in LTA Zeolites 59516.9 Deactivation, Regeneration, and Hydrothermal Effects 59616.10 Anisotropic Diffusion in CHA 60216.11 Concluding Remarks 60317 Large Pore (12-Ring) Zeolites 60717.1 Structure of X and Y Zeolites 60717.2 Diffusion of Saturated Hydrocarbons 60917.3 Diffusion of Unsaturated and Aromatic Hydrocarbons In NaX 62317.4 Other Systems 63317.5 PFG NMR Diffusion Measurements with Different Probe Nuclei 63617.6 Self-diffusion in Multicomponent Systems 64018 Medium-Pore (Ten-Ring) Zeolites 65318.1 MFI Crystal Structure 65418.2 Diffusion of Saturated Hydrocarbons 65918.3 Diffusion of Aromatic Hydrocarbons 67618.4 Adsorption from the Liquid Phase 68618.5 Microscale Studies of other Guest Molecules 68818.6 Surface Resistance and Internal Barriers 69218.7 Diffusion Anisotropy 70318.8 Diffusion in a Mixed Adsorbed Phase 71218.9 Guest Diffusion in Ferrierite 72219 Metal Organic Frameworks (MOFs) 72919.1 A New Class of Porous Solids 73019.2 MOF-5 and HKUST-1: Diffusion in Pore Spaces with the Architecture of Zeolite LTA 73219.3 Zeolitic Imidazolate Framework 8 (ZIF-8) 73919.4 Pore Segments in Single-File Arrangement: Zn(tbip) 74719.5 Breathing Effects: Diffusion in MIL-53 75119.6 Surface Resistance 75419.7 Concluding Remarks 762Part VI Selected Applications 76920 Zeolite Membranes 77120.1 Zeolite Membrane Synthesis 77220.2 Single-Component Permeation 77320.3 Separation of Gas Mixtures, Englisch, Ebook.

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Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well-known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. Specific topics include: new families of nanoporous materials, micro-imaging and single-particle tracking, direct monitoring of transient profiles by interference microscopy, single-file diffusion and new approaches to molecular modeling. Наука, Образование/Прочая образовательная литература, book.

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