Diffusion in Nanoporous Materials. Vol.1

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.

List of contents

Volume 1
 
PART I: Introduction
 
ELEMENTARY PRINCIPLES OF DIFFUSION
Fundamental Definitions
Driving Force for Diffusion
Diffusional Resistances in Nanoporous Media
Experimental Methods
 
PART II: Theory
 
DIFFUSION AS A RANDOM WALK
Random Walk Model
Correlation Effects
Boundary Conditions
Macroscopic and Microscopic Diffusivities
Correlating Self-Diffusion and Diffusion with a Simple Jump Model
Anomalous Diffusion
 
DIFFUSION AND NON-EQUILIBRIUM THERMODYNAMICS
Generalized Forces and Fluxes
Self-Diffusion and Diffusive Transport
Generalized Maxwell - Stefan Equations
Application of the Maxwell - Stefan Model
Loading Dependence of Self- and Transport Diffusivities
Diffusion at High Loadings and in Liquid-Filled Pores
 
DIFFUSION MECHANISMS
Diffusion Regimes
Diffusion in Macro- and Mesopores
Activated Diffusion 99
Diffusion in More Open Micropore Systems
 
SINGLE-FILE DIFFUSION
Infinitely Extended Single-File Systems
Finite Single-File Systems
Experimental Evidence
 
SORPTION KINETICS
Resistances to Mass and Heat Transfer
Mathematical Modeling of Sorption Kinetics
Sorption Kinetics for Binary Mixtures
 
PART III: Molecular Modeling
 
CONSTRUCTING MOLECULAR MODELS AND SAMPLING EQUILIBRIUM PROBABILITY DISTRIBUTIONS
Models and Force Fields for Zeolite - Sorbate Systems
Monte Carlo Simulation Methods
Free Energy Methods for Sorption Equilibria
Coarse-Graining and Potentials of Mean Force
 
MOLECULAR DYNAMICS SIMULATIONS
Statistical Mechanics of Diffusion
Equilibrium Molecular Dynamics Simulations
Non-Equilibrium Molecular Dynamics Simulations
 
INFREQUENT EVENT TECHNIQUES FOR SIMULATING DIFFUSION IN MICROPOROUS SOLIDS
Statistical Mechanics of Infrequent Events
Tracking Temporal Evolution in a Network of States
Example Applications of Infrequent Event Analysis and Kinetic Monte Carlo for the Prediction of Diffusivities in Zeolites
 
PART IV: Measurement Methods
MEASUREMENT OF ELEMENTARY DIFFUSION PROCESSES
NMR Spectroscopy
Diffusion Measurements by Neutron Scattering
Diffusion Measurements by Light Scattering
 
DIFFUSION MEASUREMENT BY MONITORING MOLECULAR DISPLACEMENT
Pulsed Field Gradient (PFG) NMR: Principle of Measurement
The Complete Evidence of PFG NMR
Experimental Conditions, Limitations, and Options for PFG NMR Diffusion Measurement
Different Regimes of PFG NMR Diffusion Measurement
Experimental Tests of Consistency
Single-Molecule Observation
 
IMAGING OF TRANSIENT CONCENTRATION PROFILES
Different Options of Observation
Monitoring Intracrystalline Concentration Profiles by IR and Interference Microscopy
New Options for Experimental Studies
 
DIRECT MACROSCOPIC MEASUREMENT OF SORPTION AND TRACER EXCHANGE RATES
Gravimetric Methods
Piezometric Method 433
Macro FTIR Sorption Rate Measurements
Rapid Recirculation Systems
Differential Adsorption Bed 441
Analysis of Transient Uptake Rate Data
Tracer Exchange Measurements
Frequency Response Measurements
 
CHROMATOGRAPHIC AND PERMEATION METHODS OF MEASURING INTRAPARTICLE DIFFUSION
Chromatographic Method
Deviations from the Simple Theory
Experimental Systems for Chromatographic Measurements
Analysis of Experimental Data
Variants of the Chromatographic Method
Chromatography with Two Adsorbable Components
Zero-Length Column (ZLC) Method
TAP System
Membrane Permeation Measurements
 

 

Volume 2
 
PART V: Diffusion in Selected Systems
 
AMORPHOUS MATERIALS AND EXTRACRYSTALLINE (MESO/MACRO) PORES
Diffusion in Amorphous Microporous Materials
Effective Diffusivity
Diffusion in Ordered Mesopores
Surface Di

About the author

Douglas M. Ruthven, PhD, is Professor and Chair of the Chemical Engineering Department at the University of Maine. A Fellow of the Royal Society of Canada, he is the author or coauthor of books on adsorption and adsorption separation processes.

Summary

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.

Product details

• Authors: Jör Kärger, Jörg Kärger, Douglas Ruthven, Douglas M Ruthven, Douglas M. Ruthven, Doros N Theodorou, Doros N. Theodorou
• Publisher: Wiley-VCH
• Languages: English
• Product format: Hardback
• Released: 01.04.2012
• EAN: 9783527310241
• ISBN: 978-3-527-31024-1
• No. of pages: 872
• Weight: 2056 g
• Illustrations: 398 SW-Abb., 5 Farbabb., 50 Tabellen
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Physical chemistry; Chemie, Physik, Physikalische Chemie, Festkörperphysik, chemistry, Zeolith, Physics, DIFFUSION, Materialwissenschaften, Solid State Physics, Materials science, Physical Chemistry, Allg. Materialwissenschaften, Poröser Stoff, Chemie / Physikalische Chemie