An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.

This volume contains the texts of the conferences presented at the First Francqui Colloquium, held in Brussels on 19 and 20 February 1996 and organised by Professor Eric G. Derouane, 1994 Francqui Prize, Director of the Leverhulme Centre for Innovative Catalysis at the University of Liverpool. These conferences cover broadly the field of molecular heterogeneous catalysis, including catalyst preparation, theory, modelling, new concepts, reactivity, and vistas.

Heterogeneous catalysis has developed over the past two centuries as a technology driven by the needs of society, and is part of Nobel Prize-winning science. This book describes the spectacular increase in molecular understanding of heterogenous catalytic reactions in important industrial processes. Reaction mechanism and kinetics are discussed with a unique focus on their relation with the inorganic chemistry of the catalyst material. An introductory chapter presents the development of catalysis science and catalyst discovery from a historical perspective. Five chapters that form the thrust of the book are organized by type of reaction, reactivity principles, and mechanistic theories, which provide the scientific basis to structure-function relationships of catalyst performance. Present-day challenges to catalysis are sketched in a final chapter. Written by one of the world's leading experts on the topic, this definitive text is an essential reference for students, researchers and engineers working in this multibillion-dollar field.

Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.

The molecular basis of surface chemical reactivity forms the central theme of this book. It is an attempt to survey current understanding about the working of heterogeneous catalysts, emphasizing surface chemical bonding in relation to reaction mechanisms.

Written by one of the world's leading experts on the topic, this advanced textbook is the perfect introduction for newcomers to this exciting field. Concise and clear, the text focuses on such key aspects as kinetics, reaction mechanism and surface reactivity, concentrating on the essentials. The author also covers various catalytic systems, catalysis by design, and activation-deactivation. A website with supplementary material offers additional figures, original material and references.

After three meetings in Poitiers, France, the 4th International Symposium on Heterogeneous Catalysis and Fine Chemicals was held under the auspices of the New Swiss Chemical Society in Basel, Switzerland. Fundamental as well as applied contributions on the use of heterogeneous catalysis for the preparation of fine chemicals were presented and discussed.The program consisted of 4 plenary lectures, 28 oral contributions and around 90 posters covering a broad range of reactions and catalytic aspects. 82 of these contributions are collected in the present proceedings, grouped into the following 8 topical areas:- Industrial and engineering problems (7 contributions)- Alkylation and acylation reactions (11 contributions)- Enantio- and diastereoselective hydrogenation reactions (9 contributions)- Chemoselective hydrogenation reactions (12 contributions)- Oxidation reactions (14 contributions)- Immobilized and encapsulated complex catalysts (12 contributions)- Zeolite and clay catalysts (12 contributions)- Miscellaneous topics (5 contributions)

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 long-awaited reference source is the first book to focus on this important and hot topic. As such, it provides examples from a wide array of fields where catalyst design has been based on new insights and understanding, presenting such modern and important topics as self-assembly, nature-inspired catalysis, nano-scale architecture of surfaces and theoretical methods. With its inclusion of all the useful and powerful tools for the rational design of catalysts, this is a true "must have" book for every researcher in the field.

Selective Oxidation by Heterogeneous Catalysis covers one of the major areas of industrial petrochemical production, outlining open questions and new opportunities. It gives keys for the interpretation and analysis of data and design of new catalysts and reactions, and provides guidelines for future research. A distinctive feature of this book is the use of concept by example. Rather than reporting an overview of the literature results, the authors have selected some representative examples, the in-depth analysis of which makes it possible to clarify the fundamental, but new concepts necessary for a better understanding of the new opportunities in this field and the design of new catalysts or catalytic reactions. Attention is given not only to the catalyst itself, but also to the use of the catalyst inside the process, thus evidencing the relationship between catalyst design and engineering aspects of the process. This book provides suggestions for new innovative directions of research and indications on how to reconsider the field of selective oxidation from different perspectives, outlining that is not a mature field of research, but that new important breakthroughs can be derived from fundamental and applied research. Suggestions are offered on how to use less conventional approaches in terms of both catalyst design and analysis of the data.