R.A. van Santen – författare

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

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 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.

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.

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

to the Fundamental and Applied Catalysis Series Catalysis is important academically and industrially. It plays an essential role in the manufacture of a wide range of products, from gasoline and plastics to fertilizers and herbicides, which would otherwise be unobtainable or prohibitively expensive. There are few chemical-or oil-based material items in modem society that do not depend in some way on a catalytic stage in their manufacture. Apart from manu­ facturing processes, catalysis is finding other important and ever-increasing uses; for example, successful applications of catalysis in the control of pollution and its use in environmental control are certain to increase in the future. The commercial importance of catalysis and the diverse intellectual challenges of catalytic phenomena have stimulated study by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Increas­ ing research activity over the years has brought deeper levels of understanding, and these have been associated with a continually growing amount of published material. As recently as sixty years ago, Rideal and Taylor could still treat the subject comprehensively in a single volume, but by the 1950s Emmett required six volumes, and no conventional multivolume text could now cover the whole of catalysis in any depth. In view of this situation, we felt there was a need for a collection of monographs, each one of which would deal at an advanced level with a selected topic, so as to build a catalysis reference library.

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.

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.

Hydrotreating catalysis with transition metal sulphides is one of the most important areas of industrial heterogeneous catalysis. This volume deals with the chemical and catalytic aspects of transition metal sulphides, focusing on their use in hydrotreating catalysis. The book's 12 chapters present reviews of solid-state, co-ordination and organometallic chemistry, surface science and spectroscopic studies, quantum chemical calculations, catalytic studies with model and real catalysts, as well as refinery processes. A presentation of state-of-the-art background to pertinent work in the field. It can be used as an introduction to the chemical and catalytic properties of transition metal sulphides as well as an advanced level reference.

Present day heterogeneous catalysis is rapidly being transformed from a technical art into a science-based technology. A major contribution to this important change is the advance of surface spectroscopic techniques able to characterize the complex surfaces of the heterogeneous catalytic system. The Advanced Study Institute (on which the current proceedings is based) has as its primary aim the bringing together of a variety of lecturers, outstanding in those fields of experience, to enable a broad coverage of different relevant approaches. Not only catalyst characterization but also catalytic reactivity had to be covered in order to relate catalyst properties with catalyst performance. Since modern catalysis relates catalytic performance to microscopic molecular catalyst features, theoretical electronic aspects also had to be included. The Advanced Study Institute had a unique feature in that it brought together physicists, catalytic chemists and chemical engineers whom rarely directly interact. From physics especially new experimental possibilities of beams were emphasized. At present it is possible to obtain very detailed information on model catalysts, whilst the applications to practical catalysts are gaining rapidly in sophistication. Apart from the plenary lectures, the Institute included "hot topics" to highlight special developments and offered participants the opportunity to present contributed papers (either orally or as a poster). These contributions formed an integral part of the summer school and significantly enhanced the interaction between participants. Inclusion of the hot topics and contributed papers in these proceedings give them an added topical value.

Present day heterogeneous catalysis is rapidly being transformed from a technical art into a science-based technology. A major contribution to this important change is the advance of surface spectroscopic techniques able to characterize the complex surfaces of the heterogeneous catalytic system. The Advanced Study Institute (on which the current proceedings is based) has as its primary aim the bringing together of a variety of lecturers, outstanding in those fields of experience, to enable a broad coverage of different relevant approaches. Not only catalyst characterization but also catalytic reactivity had to be covered in order to relate catalyst properties with catalyst performance. Since modern catalysis relates catalytic performance to microscopic molecular catalyst features, theoretical electronic aspects also had to be included. The Advanced Study Institute had a unique feature in that it brought together physicists, catalytic chemists and chemical engineers whom rarely directly interact. From physics especially new experimental possibilities of beams were emphasized. At present it is possible to obtain very detailed information on model catalysts, whilst the applications to practical catalysts are gaining rapidly in sophistication. Apart from the plenary lectures, the Institute included "hot topics" to highlight special developments and offered participants the opportunity to present contributed papers (either orally or as a poster). These contributions formed an integral part of the summer school and significantly enhanced the interaction between participants. Inclusion of the hot topics and contributed papers in these proceedings give them an added topical value.

to the Fundamental and Applied Catalysis Series Catalysis is important academically and industrially. It plays an essential role in the manufacture of a wide range of products, from gasoline and plastics to fertilizers and herbicides, which would otherwise be unobtainable or prohibitively expensive. There are few chemical-or oil-based material items in modem society that do not depend in some way on a catalytic stage in their manufacture. Apart from manu­ facturing processes, catalysis is finding other important and ever-increasing uses; for example, successful applications of catalysis in the control of pollution and its use in environmental control are certain to increase in the future. The commercial importance of catalysis and the diverse intellectual challenges of catalytic phenomena have stimulated study by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Increas­ ing research activity over the years has brought deeper levels of understanding, and these have been associated with a continually growing amount of published material. As recently as sixty years ago, Rideal and Taylor could still treat the subject comprehensively in a single volume, but by the 1950s Emmett required six volumes, and no conventional multivolume text could now cover the whole of catalysis in any depth. In view of this situation, we felt there was a need for a collection of monographs, each one of which would deal at an advanced level with a selected topic, so as to build a catalysis reference library.

to the Fundamental and Applied Catalysis Series Catalysis is important academically and industrially. It plays an essential role in the manufacture of a wide range of products, from gasoline and plastics to fertilizers and herbicides, which would otherwise be unobtainable or prohibitively expensive. There are few chemical-or oil-based material items in modem society that do not depend in some way on a catalytic stage in their manufacture. Apart from manu­ facturing processes, catalysis is finding other important and ever-increasing uses; for example, successful applications of catalysis in the control of pollution and its use in environmental control are certain to increase in the future. The commercial importance of catalysis and the diverse intellectual challenges of catalytic phenomena have stimulated study by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Increas­ ing research activity over the years has brought deeper levels of understanding, and these have been associated with a continually growing amount of published material. As recently as sixty years ago, Rideal and Taylor could still treat the subject comprehensively in a single volume, but by the 1950s Emmett required six volumes, and no conventional multivolume text could now cover the whole of catalysis in any depth. In view of this situation, we felt there was a need for a collection of monographs, each one of which would deal at an advanced level with a selected topic, so as to build a catalysis reference library.

Hydrotreating catalysis with transition metal sulphides is one of the most important areas of industrial heterogeneous catalysis. The present book deals with the chemical and catalytic aspects of transition metal sulphides, focusing on their use in hydrotreating catalysis. The book¿s 12 chapters present reviews of solid-state, coordination and organometallic chemistry, surface science and spectroscopic studies, quantum chemical calculations, catalytic studies with model and real catalysts, as well as refinery processes. A presentation of state-of-the-art background to pertinent work in the field. Can be used as an introduction to the chemical and catalytic properties of transition metal sulphides as well as an advanced level reference.

This book comprises the proceedings of a NATO sponsored Advanced Research Workshop held from 1st November to 6th November 1992 in the delightful Chateau de Florans, Bedoin, Vaucluse, France and entitled 'Elementary Reaction Steps in Heterogeneous Catalysis. ' The organisers are grateful to the Science Committee of NATO for their support of this meeting. This is believed to be the first wide ranging NATO ARW in the field of heterogeneous catalysis for 20 years, following a previous venture organised in Sardinia by Basolo and Burwell, of Northwestern University, Illinois, USA [1]. This volume collects the lecture presentations and reports on the lively Panel discussions. The idea for the meeting evolved from a series of International Symposia on Quantum Chemistry and Mechanism in Heterogeneous Catalysis. The first of these was held in Lyon, France in 1986, the second in Krakow, Poland in 1988 and the third in Berkeley, California in 1990. The organising committee of the present meeting was Bernard Bigot, France, Tony Farragher, Netherlands, Richard Joyner, UK, Mme. Danielle Olivier, France, and Rutger van Santen, Netherlands, (Chairman). We wish to thank all members of the committee but in particular Bernard Bigot, who undertook the very extensive work involved in the local organisation with consummate skill and made our stay in Provence a great pleasure. Bernard Bigot's secretary, Mme. Marie-Noelle Coscat and Richard Joyner's secretary, Mrs. Pat Gibbs, also deserve our considerable thanks. There were fifty-four participants from eleven countries.

This book comprises the proceedings of a NATO sponsored Advanced Research Workshop held from 1st November to 6th November 1992 in the delightful Chateau de Florans, Bedoin, Vaucluse, France and entitled ''Elementary Reaction Steps in Heterogeneous Catalysis. '' The organisers are grateful to the Science Committee of NATO for their support of this meeting. This is believed to be the first wide ranging NATO ARW in the field of heterogeneous catalysis for 20 years, following a previous venture organised in Sardinia by Basolo and Burwell, of Northwestern University, Illinois, USA [1]. This volume collects the lecture presentations and reports on the lively Panel discussions. The idea for the meeting evolved from a series of International Symposia on Quantum Chemistry and Mechanism in Heterogeneous Catalysis. The first of these was held in Lyon, France in 1986, the second in Krakow, Poland in 1988 and the third in Berkeley, California in 1990. The organising committee of the present meeting was Bernard Bigot, France, Tony Farragher, Netherlands, Richard Joyner, UK, Mme. Danielle Olivier, France, and Rutger van Santen, Netherlands, (Chairman). We wish to thank all members of the committee but in particular Bernard Bigot, who undertook the very extensive work involved in the local organisation with consummate skill and made our stay in Provence a great pleasure. Bernard Bigot''s secretary, Mme. Marie-Noelle Coscat and Richard Joyner''s secretary, Mrs. Pat Gibbs, also deserve our considerable thanks. There were fifty-four participants from eleven countries.