Model Systems In Catalysis

Author : Robert Rioux
Publisher : Springer Science & Business Media
ISBN 13 : 0387980490
Total Pages : 531 pages
Book Rating : 4.92/5 ( download)

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Download or read book Model Systems in Catalysis written by Robert Rioux and published by Springer Science & Business Media. This book was released on 2009-11-11 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an excellent compilation of cutting-edge research in heterogeneous catalysis and related disciplines – surface science, organometallic catalysis, and enzymatic catalysis. In 23 chapters by noted experts, the volume demonstrates varied approaches using model systems and their successes in understanding aspects of heterogeneous catalysis, both metal- and metal oxide-based catalysis in extended single crystal and nanostructured catalytic materials. To truly appreciate the astounding advances of modern heterogeneous catalysis, let us first consider the subject from a historical perspective. Heterogeneous catalysis had its beginnings in England and France with the work of scientists such as Humphrey Davy (1778–1829), Michael Faraday (1791–1867), and Paul Sabatier (1854–1941). Sabatier postulated that surface compounds, si- lar to those familiar in bulk to chemists, were the intermediate species leading to catalytic products. Sabatier proposed, for example, that NiH moieties on a Ni sur- 2 face were able to hydrogenate ethylene, whereas NiH was not. In the USA, Irving Langmuir concluded just the opposite, namely, that chemisorbed surface species are chemically bound to surfaces and are unlike known molecules. These chemisorbed species were the active participants in catalysis. The equilibrium between gas-phase molecules and adsorbed chemisorbed species (yielding an adsorption isotherm) produced a monolayer by simple site-filling kinetics.

Author :
Publisher : Springer
ISBN 13 : 9780387981123
Total Pages : 531 pages
Book Rating : 4.28/5 ( download)

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Download or read book Model Systems in Catalysis written by and published by Springer. This book was released on 2010 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Robert Rioux
Publisher : Springer
ISBN 13 : 9780387980416
Total Pages : 526 pages
Book Rating : 4.15/5 ( download)

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Download or read book Model Systems in Catalysis written by Robert Rioux and published by Springer. This book was released on 2009-11-12 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an excellent compilation of cutting-edge research in heterogeneous catalysis and related disciplines – surface science, organometallic catalysis, and enzymatic catalysis. In 23 chapters by noted experts, the volume demonstrates varied approaches using model systems and their successes in understanding aspects of heterogeneous catalysis, both metal- and metal oxide-based catalysis in extended single crystal and nanostructured catalytic materials. To truly appreciate the astounding advances of modern heterogeneous catalysis, let us first consider the subject from a historical perspective. Heterogeneous catalysis had its beginnings in England and France with the work of scientists such as Humphrey Davy (1778–1829), Michael Faraday (1791–1867), and Paul Sabatier (1854–1941). Sabatier postulated that surface compounds, si- lar to those familiar in bulk to chemists, were the intermediate species leading to catalytic products. Sabatier proposed, for example, that NiH moieties on a Ni sur- 2 face were able to hydrogenate ethylene, whereas NiH was not. In the USA, Irving Langmuir concluded just the opposite, namely, that chemisorbed surface species are chemically bound to surfaces and are unlike known molecules. These chemisorbed species were the active participants in catalysis. The equilibrium between gas-phase molecules and adsorbed chemisorbed species (yielding an adsorption isotherm) produced a monolayer by simple site-filling kinetics.

Author : Olaf Deutschmann
Publisher : John Wiley & Sons
ISBN 13 : 3527639888
Total Pages : 364 pages
Book Rating : 4.85/5 ( download)

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Download or read book Modeling and Simulation of Heterogeneous Catalytic Reactions written by Olaf Deutschmann and published by John Wiley & Sons. This book was released on 2013-09-18 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity. The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective. This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.

Author : R.M. Lambert
Publisher : Springer Science & Business Media
ISBN 13 : 9401589119
Total Pages : 534 pages
Book Rating : 4.16/5 ( download)

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Download or read book Chemisorption and Reactivity on Supported Clusters and Thin Films: written by R.M. Lambert and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis provides the backbone of the world's chemical and oil industries. The innate complexity of practical catalytic systems suggests that useful progress should be achievable by investigating key aspects of catalysis by experimental studies on idealised model systems. Thin films and supported clusters are two promising types of model system that can be used for this purpose, since they mimic important aspects of the properties of practical dispersed catalysts. Similarly, appropriate theoretical studies of chemisorption and surface reaction clusters or extended slab systems can provide valuable information on the factors that underlie bonding and catalytic activity. This volume describes such experimental and theoretical approaches to the surface chemistry and catalytic behaviour of metals, metal oxides and metal/metal oxide systems. An introduction to the principles and main themes of heterogeneous catalysis is followed by detailed accounts of the application of modern experimental and theoretical techniques to fundamental problems. The application of advanced experimental methods is complemented by a full description of theoretical procedures, including Hartree-Fock, density functional and similar techniques. The relative merits of the various approaches are considered and directions for future progress are indicated.

Author : Zili Wu
Publisher : Academic Press
ISBN 13 : 0128013400
Total Pages : 393 pages
Book Rating : 4.03/5 ( download)

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Download or read book Catalysis by Materials with Well-Defined Structures written by Zili Wu and published by Academic Press. This book was released on 2015-03-26 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis by Materials with Well-Defined Structures examines the latest developments in the use of model systems in fundamental catalytic science. A team of prominent experts provides authoritative, first-hand information, helping readers better understand heterogeneous catalysis by utilizing model catalysts based on uniformly nanostructured materials. The text addresses topics and issues related to material synthesis, characterization, catalytic reactions, surface chemistry, mechanism, and theoretical modeling, and features a comprehensive review of recent advances in catalytic studies on nanomaterials with well-defined structures, including nanoshaped metals and metal oxides, nanoclusters, and single sites in the areas of heterogeneous thermal catalysis, photocatalysis, and electrocatalysis. Users will find this book to be an invaluable, authoritative source of information for both the surface scientist and the catalysis practitioner Outlines the importance of nanomaterials and their potential as catalysts Provides detailed information on synthesis and characterization of nanomaterials with well-defined structures, relating surface activity to catalytic activity Details how to establish the structure-catalysis relationship and how to reveal the surface chemistry and surface structure of catalysts Offers examples on various in situ characterization instrumental techniques Includes in-depth theoretical modeling utilizing advanced Density Functional Theory (DFT) methods

Author : Anthony John Kirby
Publisher : Royal Society of Chemistry
ISBN 13 : 0854041753
Total Pages : 286 pages
Book Rating : 4.56/5 ( download)

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Download or read book From Enzyme Models to Model Enzymes written by Anthony John Kirby and published by Royal Society of Chemistry. This book was released on 2009 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designing artificial systems with catalytic efficiencies to rival those of natural enzymes is one of the great challenges facing science today. This introduction to the exciting area of artificial enzymes is suitable for both students and more senior researchers.

Author : Feliu Maseras
Publisher : Springer Science & Business Media
ISBN 13 : 0306477181
Total Pages : 373 pages
Book Rating : 4.88/5 ( download)

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Download or read book Computational Modeling of Homogeneous Catalysis written by Feliu Maseras and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent results on a wide array of catalytic processes are collected in this volume. The book illustrates the importance of computational modelling in homogeneous catalysis by providing up-to-date reviews of its application to a variety of reactions of industrial interest.

Author :
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.11/5 ( download)

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Download or read book Designing and testing model systems for catalysis - monomers, dimers and clusters written by and published by . This book was released on with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : T. Funabiki
Publisher : Springer Science & Business Media
ISBN 13 : 9401154422
Total Pages : 403 pages
Book Rating : 4.20/5 ( download)

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Download or read book Oxygenases and Model Systems written by T. Funabiki and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: Oxygenases have been the subject of much study and are of great interest and application. Biomimetic chemistry of oxygenases has yielded clarification of enzyme structures and reaction mechanisms and has also led to the development of synthetic oxygenation processes. This volume contains 8 chapters written by leading researchers which together present an overview of di- and mono-oxygenases and their model systems from the point of view of functions, structures and mechanisms. An up-to-date clarification of structures around active centres of heme- and nonheme-oxygenases is given with reference to the design of model complexes. Various contributions also discuss in detail the formation, structure and reactivity of metal-oxygen and metal-substrate species in both enzyme and model systems. The contents of the volume address the interface between bioinorganic chemistry and homogeneous catalysis and contains much to emphasize the importance of catalytic studies in bio- and biomimetic chemistry. Audience: Research chemists interested in the use of oxygenases in catalysis.