R.A. van Santen

B.A. Averill

J.A. Moulijn

P.W.N.M. van Leeuwen

This book concentrates on industrially relevant reactions which are catalyzed by heterogeneous and homogeneous catalysts. Homogeneous catalysis by metal complexes is treated jointly with heterogeneous catalysis using metallic and non-metallic solids. In both areas the high degree of sophistication of spectroscopic techniques and theoretical modelling has led to an enormous increase in our understanding at the molecular level. This holds for the kinetics of the reactions and the reactivities of the catalysts, as well as for the syntheses of the catalytic materials. The development of catalysis science since the first edition of this book has necessitated a thorough revision, including special chapters on biocatalysis, catalyst characterization and adsorption methods. The multidisciplinary nature of catalysis is reflected in the choice of a novel combination of basic disciplines which will be refreshing and inspiring to readers.

Catalysis: An Integrated Approach

Catalysis is a multidisciplinary activity which is reflected in this book. The editors have chosen a novel combination of basic disciplines - homogeneous catalysis by metal complexes is treated jointly with heterogeneous catalysis with metallic and non-metallic solids. The main theme of the book is the molecular approach to industrial catalysis. In the introductory section Chapter 1 presents a brief survey of the history of industrial heterogeneous and homogeneous catalysis. Subsequently, a selection of current industrial catalytic processes is described (Chapter 2). A broad spectrum of important catalytic applications is presented, including the basic chemistry, some engineering aspects, feedstock sources and product utilisation. In Chapter 3, kinetic principles are treated. The section on fundamental catalysis begins with a description of the bonding in complexes and to surfaces (Chapter 4). The elementary steps on complexes and surfaces are described. The chapter on heterogeneous catalysis (5) deals with the mechanistic aspects of three groups of important reactions: syn-gas conversion, hydrogenation, and oxidation. The main principles of metal and metal oxide catalysis are presented. Likewise, the chapter on homogeneous catalysis (6) concentrates on three reactions representing examples from three areas: carbonylation, polymerization, and asymmetric catalysis. Identification by in situ techniques has been included. Many constraints to the industrial use of a catalyst have a macroscopic origin. In applied catalysis it is shown how catalytic reaction engineering deals with such macroscopic considerations in heterogeneous as well as homogeneous catalysis (Chapter 7). The transport and kinetic phenomena in both model reactors and industrial reactors are outlined. The section on catalyst preparation (Chapters 8 and 9) is concerned with the preparation of catalyst supports, zeolites, and supported catalysts, with an emphasis on general principles and mechanistic aspects. For the supported catalysts the relation between the preparative method and the surface chemistry of the support is highlighted. The molecular approach is maintained throughout. The first chapter (10) in the section on catalyst characterization summarizes the most common spectroscopic techniques used for the characterisation of heterogeneous catalysts such as XPS, Auger, EXAFS, etc. Temperature programmed techniques, which have found widespread application in heterogeneous catalysis both in catalyst characterization and simulation of pretreatment procedures, are discussed in Chapter 11. A discussion of texture measurement, theory and application, concludes this section (12). The final chapter (13) gives an outline of current trends in catalysis. Two points of view are adopted: the first one focusses on developments in process engineering. Most often these have their origin in demands by society for better processes. The second point of view draws attention to the autonomous developments in catalysis, which is becoming one of the frontier sciences of physics and chemistry. In this book emphasis is on those reactions catalyzed by heterogeneous and homogeneous catalysts of industrial relevance. The integrative treatment of the subject matter involves many disciplines, consequently, the writing of the book has been a multi-author task. The editors have carefully planned and harmonized the contents of the chapters.

An Integrated Approach to Homogeneous, Heterogeneous and Industrial Catalysis

Catalysis

P.A. Jacobs

This two-volume work contains over 140 papers which, together, reflect the current status of zeolite science and technology encompassing high and low silica zeolites, pillared clays, molecular sieves, microporous metallosilicates, crystalline silica polymorphs, crystalline microporous aluminophosphates and their isomorphically substituted forms. The five plenary invited lectures summarize current knowledge and address a number of topical areas such as the enumeration of theoretically possible frameworks, the use of sophisticated physical methods to unravel and characterise new molecular sieve materials, the potential of molecular sieves as catalysts for chemical intermediate and commodity synthesis and conversion, the role of zeolites in fluid catalytic cracking, and new zeolitic materials. Specific aspects of zeolite science are highlighted in the ten keynote lectures of which three are on synthesis and modification, one on new materials, one on characterization, two on structure and theory, one on metals in zeolites, and two on catalytic topics. All the contributions in this book reflect the high quality of research being carried out throughout the zeolite community.

Zeolites: Facts, Figures, Future

Berend Smit

C.Richard A. Catlow

Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the versatile and exciting ranges of mesoporous materials. Computational methods have a long and successful history of application in solid state and materials science, where they are indeed established tools in modelling structural and dynamic properties of the bulk and surfaces of solids; and where they are playing an increasingly important role in understanding reactivity. Their application to zeolite science developed strongly in the 1980's, with the initial successes in modelling structure and sorption, and with emerging capability in quantum mechanical methods. The field was reviewed over ten years, since then there have been major developments in techniques and of course the power of the available hardware, which have promoted a whole range of new applications to real complex problems in the science of microporous materials. Computer Modelling of Microporous Materials aims to summarise and illustrate the current capabilities of atomistic computer modelling methods in this growing field. Details advances in the rapidly expanding field of microporous materials Summarises key current techniques in this type of modelling Illustrates the current capabilities of atomistic computer modelling methods

R.A. van Santen

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