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Model Systems In Catalysis
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Book Synopsis Model Systems in Catalysis by : Robert Rioux
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.
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:
Book Synopsis Modeling and Simulation of Heterogeneous Catalytic Reactions by : Olaf Deutschmann
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 370 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.
Book Synopsis Model Systems in Catalysis by : Robert Rioux
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.
Book Synopsis Catalysis by Materials with Well-Defined Structures by : Zili Wu
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 392 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
Book Synopsis Chemisorption and Reactivity on Supported Clusters and Thin Films: by : R.M. Lambert
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.
Book Synopsis Catalysis Looks to the Future by : National Research Council
Download or read book Catalysis Looks to the Future written by National Research Council and published by National Academies Press. This book was released on 1992-02-01 with total page 97 pages. Available in PDF, EPUB and Kindle. Book excerpt: The impact of catalysis on the nation's economy is evidenced by the fact that catalytic technologies generate U.S. sales in excess of $400 billion per year and a net positive balance of trade of $16 billion annually. This book outlines recent accomplishments in the science and technology of catalysis and summarizes important likely challenges and opportunities on the near horizon. It also presents recommendations for investment of financial and human resources by industry, academe, national laboratories, and relevant federal agencies if the nation is to maintain continuing leadership in this fieldâ€"one that is critical to the chemical and petroleum processing industries, essential for energy-efficient means for environmental protection, and vital for the production of a broad range of pharmaceuticals.
Book Synopsis Oxide Ultrathin Films by : Gianfranco Pacchioni
Download or read book Oxide Ultrathin Films written by Gianfranco Pacchioni and published by John Wiley & Sons. This book was released on 2012-09-19 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: A wealth of information in one accessible book. Written by international experts from multidisciplinary fields, this in-depth exploration of oxide ultrathin films covers all aspects of these systems, starting with preparation and characterization, and going on to geometrical and electronic structure, as well as applications in current and future systems and devices. From the Contents: Synthesis and Preparation of Oxide Ultrathin Films Characterization Tools of Oxide Ultrathin Films Ordered Oxide Nanostructures on Metal Surfaces Unusual Properties of Oxides and Other Insulators in the Ultrathin Limit Silica and High-K Dielectrics Thin Films in Microelectronics Oxide Passive Films and Corrosion Protection Oxide Films as Catalytic Materials and as Models of Real Catalysts Oxide Films in Spintronics Oxide Ultrathin Films in Solid Oxide Fuel Cells Transparent Conducting and Chromogenic Oxide Films as Solar Energy Materials Oxide Ultrathin Films in Sensor Applications Ferroelectricity in Ultrathin Film Capacitors Titania Thin Films in Biocompatible Materials and Medical Implants Oxide Nanowires for New Chemical Sensor Devices
Book Synopsis Computational Modeling of Homogeneous Catalysis by : Feliu Maseras
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 368 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.
Book Synopsis Molecular Heterogeneous Catalysis by : Rutger A. van Santen
Download or read book Molecular Heterogeneous Catalysis written by Rutger A. van Santen and published by John Wiley & Sons. This book was released on 2009-06-10 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Oxygenases and Model Systems by : T. Funabiki
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.
Book Synopsis Kinetics and Catalysis in Microheterogeneous Systems by : Michael Gratzel
Download or read book Kinetics and Catalysis in Microheterogeneous Systems written by Michael Gratzel and published by CRC Press. This book was released on 2020-08-19 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a quantitative assessment of the advances in the area of catalysis and kinetics in microheterogeneous systems. It is an invaluable resource for chemists interested in catalysis and reaction kinetics, and physicists interested in semiconductors, metal clusters and catalysis.
Book Synopsis From Enzyme Models to Model Enzymes by : Anthony John Kirby
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.
Book Synopsis Model Systems in Catalysis: Cluster Reactivity, Photocatalysis and Ligand-protection by : Martin Tschurl
Download or read book Model Systems in Catalysis: Cluster Reactivity, Photocatalysis and Ligand-protection written by Martin Tschurl and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Catalysis in Micellar and Macromoleular Systems by : Janos Fendler
Download or read book Catalysis in Micellar and Macromoleular Systems written by Janos Fendler and published by Elsevier. This book was released on 2012-12-02 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis in Micellar and Macromolecular Systems provides a comprehensive monograph on the catalyses elicited by aqueous and nonaqueous micelles, synthetic and naturally occurring polymers, and phase-transfer catalysts. It delineates the principles involved in designing appropriate catalytic systems throughout. Additionally, an attempt has been made to tabulate the available data exhaustively. The book discusses the preparation and purification of surfactants; the physical and chemical properties of surfactants and micelles; solubilization in aqueous micellar systems; and the principles of micellar catalysis. Separate chapters cover micellar catalysis of hydrolyses, solvolyses, aminolyses, and miscellaneous ionic reactions; micellar effects on organic equilibria and nucleophilic substitution reactions, and on hydrophobic interactions and protein structure; and radical and excited state reactions in micellar systems. The final chapters deal with interactions in and catalysis by micelles in nonaqueous solvents and in liquid crystalline phases; and catalysis in macromolecular and related systems. This book is aimed at the industrial and academic researcher regardless of his arbitrarily defined subfield, be it organic, inorganic, biological, colloid, etc. The treatment provides guidance and stimulus to bioorganic, inorganic, pharmaceutical, colloid, physical, and polymer chemists as well as to those who seek novel and unique catalysts in industrial processes. It can also serve as the basis of a graduate course.
Book Synopsis Copper Bioinorganic Chemistry: From Health To Bioinspired Catalysis by : Jalila Simaan
Download or read book Copper Bioinorganic Chemistry: From Health To Bioinspired Catalysis written by Jalila Simaan and published by World Scientific. This book was released on 2023-07-26 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bioinorganic chemistry is an interdisciplinary research field which centers on metals in biology. Over the past few decades, advances in chemistry, biology as well as in spectroscopic methods have shed light on the role of copper in human pathologies and allowed the growing discovery of copper-containing biological systems. Following this trend, much effort is being constantly chanelled towards understanding these fundamental biological processes or enzymes. In addition, chemists are developing molecules to target copper or copper enzymes as therapeutic tools. On the other hand, inspired by the function of biological systems, small molecular weight complexes inspired by the active site of copper enzymes are being prepared and studied. These bioinspired complexes can function both as mechanistic tools and as functional catalysts for oxidative transformations.The seven chapters in this book, contributed by internationally recognized authors cover recent developments on these aspects illustrated by interdisciplinary fields from biology, chemistry, spectroscopy to bioinspired catalysis. It contains aspects ranging from human health issues (copper homeostasis in bacteria and the development of molecules as anticancer or antibacterial agents) to bioinspired catalysis.
Book Synopsis Objects, Components, and Frameworks with UML by : Desmond Francis D'Souza
Download or read book Objects, Components, and Frameworks with UML written by Desmond Francis D'Souza and published by Addison-Wesley Professional. This book was released on 1999 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt: Using the Catalysis approach, Objects, Components, and Frameworks with UMLdetails the recurring patterns within UML. Catalysis is a rapidly emerging UML-based method for component and framework-based development with objects, and it is gaining popularity because it allows developers to more easily build business models, requirement specs, designs, and code. The authors describe a unique UML-based approach to precise specification of component interfaces using a type model. By identifying patterns in this notational language, the authors provide application developers and system architects with well-defined and reusable techniques that help them build open distributed object systems from components and frameworks. Expected Availability: September 1998
