Kärger J., Ruthven D.M., Theodorou D.N. Diffusion in Nanoporous Materials (2 Volume Set)

Wiley-VCH Verlag & Co. KGaA, Weinheim, Germany, 2012. — 882 p. — ISBN: 9783527310241.Diffusion at the atomic or molecular level is a universal phenomenon, occurring in all states of matter on time scales that vary over many orders of magnitude, and indeed controlling the overall rates of many physical, chemical, and biochemical processes. The wide variety of different systems controlled by diffusion is well illustrated by the range of the topics covered in the Diffusion Fundamentals Conference series (http://www.uni-leipzig.de/diffusion/). For both fundamental and practical reasons diffusion is therefore important to both scientists and engineers in several different disciplines. This book is concerned primarily with diffusion in microporous solids such as zeolites but, since the first edition was published (in 1992 under the title Diffusion in Zeolites and Other Microporous Solids), several important new micro- and mesoporous materials such as metal organic frameworks (MOFs) and mesoporous silicas (e.g., MCM-41 and SBA-15) have been developed. In recognition of these important developments the scope of this new edition has been broadened to include new chapters devoted to mesoporous silicas and MOFs and the title has been modified to reflect these major changes.
In addition to the important developments in the area of new materials, over the past 20 years, there have been equally important advances both in our understanding of the basic physics and in the development of new theoretical and experimental approaches for studying diffusion in micro- and mesoporous solids. Perhaps the most important of these advances is the remarkable development of molecular modeling based on numerical simulations. Building on the rapid advances in computer technology, Monte Carlo (MC) and molecular dynamic (MD) simulations of adsorption equilibrium and kinetics have become almost routine (although kinetic simulations must still be treated with caution unless confirmed by experimental data). In recognition of the importance of these developments the new edition contains three authoritative new chapters, written mainly by Doros Theodorou, dealing with the principles of molecular simulations and their application to the study of diffusion in porous materials.Content of Volume 1Elementary Principles of Diffusion
Theory
Diffusion as a Random Walk
Diffusion and Non-equilibrium Thermodynamics
Diffusion Mechanisms
Single-File Diffusion
Sorption Kinetics
Molecular Modeling
Constructing Molecular Models and Sampling Equilibrium Probability Distributions
Molecular Dynamics Simulations
Infrequent Event Techniques for Simulating Diffusion in Microporous Solids
Measurement Methods
Measurement of Elementary Diffusion Processes
Diffusion Measurement by Monitoring Molecular Displacement
Imaging of Transient Concentration Profiles
Direct Macroscopic Measurement of Sorption and Tracer Exchange Rates
Chromatographic and Permeation Methods of Measuring Intraparticle Diffusion
Content of Volume 2
Diffusion in Selected Systems
Amorphous Materials and Extracrystalline (Meso/Macro) Pores
Eight-Ring Zeolites
Large Pore (12-Ring) Zeolites
Medium-Pore (Ten-Ring) Zeolites
Metal Organic Frameworks (MOFs)
Selected Applications
Zeolite Membranes
Diffusional Effects in Zeolite Catalysts