This book examines the molecular dynamics that occur within zeolites. Our understanding of how these marvelous catalysts work has been greatly enhanced by the advent ot new tools such as NMR, scanning-transmission-electron microscopy, and sophisticated computer modelling. By combining recent findings and newly developed models with classical developments in the theory of diffusion, this book provides a complete picture of the physical chemistry of hydrocarbon transformation in zeolites. It should be an excellent guide to those involved in catalyst design.

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.

The advent of nanoporous materials such as zeolites and nanoporous membranes has provided cost-effective solutions to some of the most pressing problems of the 20th century such as the conversion of crude oil into fuels and valuable chemicals. Hierarchical zeolites and mesoporous inorganic membranes are showing great promise in addressing new problems such as the conversion of biomass into value-added chemicals and development of energy-efficient separation processes. The synthesis and fundamental aspects of molecular transport in these new materials with hierarchical porosities need to be better understood in order to rationally develop them for these desired applications. Pore narrowing and pore blockage have been proposed to cause the significantly slower than expected diffusion in hierarchical zeolites and zeolite nanoparticles. In the first part of this work, the diffusion of cyclohexane and 1-methylnaphthalene is studied in MCM-41, SBA-15 and conventional as well as hierarchical silicalite-1 zeolite. The role of sorbate-sorbent interactions is investigated and surface diffusion-mediated pore re-entry into micropores is proposed to cause the slower overall diffusion in these materials. Previous molecular transport studies in zeolites have been limited to the MFI zeolite framework, mainly due to ease of synthesis of siliceous MFI in comparison to other siliceous zeolites. Additionally, the requirement of fluoride for the synthesis of siliceous zeolites makes practical applications of these materials difficult. The second part of this work addresses these problems by developing a general, fluoride-free method for the synthesis of siliceous zeolites. The dry gel conversion (DGC) method is used to synthesize 2 new siliceous zeolites for the first time without using fluoride. Mechanistic aspects of siliceous zeolite synthesis, the DGC method in particular, are studied and employed to further improve the synthesis method. Mesoporous inorganic membranes have ideally suited properties for separations such as low pressure drop and thermal as well mechanical stability. However, two challenges impede their applications - the large-scale synthesis of defect-free mesoporous membranes and the development of a fundamental understanding of molecular transport in them. In the third part of this thesis, a new, scalable synthesis method with superior coverage is demonstrated for the synthesis of hybrid mesoporous silica-anodized aluminium oxide (AAO) membranes. Steady state non-equilibrium capillary condensation is studied in detail using the permeation of butane through AAO membranes. New aspects of this phenomenon are reported and experimental evidence is found in support of a partial capillary condensed state of a mesopore stabilized by molecular transport.

Authored by a top-level team of both academic and industrial researchers in the field, this is an up-to-date review of mesoporous zeolites. The leading experts cover novel preparation methods that allow for a purpose-oriented fine-tuning of zeolite properties, as well as the related materials, discussing the specific characterization methods and the applications in close relation to each individual preparation approach. The result is a self-contained treatment of the different classes of mesoporous zeolites. With its academic insights and practical relevance this is a comprehensive handbook for researchers in the field and related areas, as well as for developers from the chemical industry.

This indispensable two-volume handbook covers everything on this hot research field. The first part deals with the synthesis, modification, characterization and application of catalytic active zeolites, while the second focuses on such reaction types as cracking, hydrocracking, isomerization, reforming and other industrially important topics. Edited by a highly experienced and internationally renowned team with chapters written by the "Who's Who" of zeolite research.