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Author: Johannes W. Niemantsverdriet
Publisher:
ISBN:
Category :
Languages : en
Pages : 149
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Book Description
Author: Johannes W. Niemantsverdriet
Publisher:
ISBN:
Category :
Languages : en
Pages : 149
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Book Description
Author: Robert Rioux
Publisher: Springer Science & Business Media
ISBN: 0387980490
Category : Science
Languages : en
Pages : 531
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Book Description
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:
ISBN:
Category :
Languages : en
Pages : 142
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Book Description
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Author: R.M. Lambert
Publisher: Springer Science & Business Media
ISBN: 9401589119
Category : Science
Languages : en
Pages : 534
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Book Description
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: Kent Coulter
Publisher:
ISBN:
Category : Metal catalysts
Languages : en
Pages : 390
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Book Description
Author: Umit S. Ozkan
Publisher: John Wiley & Sons
ISBN: 352762533X
Category : Science
Languages : en
Pages : 340
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Book Description
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.
Author: Robert John Davies
Publisher:
ISBN:
Category :
Languages : en
Pages : 370
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Book Description
Author: Claude R. Henry
Publisher:
ISBN:
Category :
Languages : en
Pages : 94
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Book Description
Author: Carrie Ann Farberow
Publisher:
ISBN:
Category :
Languages : en
Pages : 178
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Book Description
The design of improved heterogeneous catalysts requires a detailed understanding of the governing surface chemistry. Significant advances over the past two decades in electronic structure calculation algorithms and high performance computing have made theoretical tools indispensable in the quest to understand catalysis at the atomic scale. In this dissertation, first principles electronic structure calculations based on density functional theory (DFT) and microkinetic modeling are combined with experimental studies, including surface science, electrocatalysis and reaction kinetics, to elucidate reaction mechanisms and design improved catalysts for a variety of reactions important to energy and environmental applications. Chapters 3 and 4 of this dissertation focus on the fundamental end of the catalysis research spectrum. In this work, experimental surface science studies, using high-resolution, high-speed scanning tunneling microscopy are combined with periodic, self-consistent DFT calculations to improve our understanding of two important processes, hydrogen diffusion and water adsorption, on a metal oxide thin film. In Chapter 5, first principles calculations are utilized to study the vapor phase reaction between hydrogen and oxygen on a homogeneous bimetallic PdAg alloy surface. A successful example of catalyst design for an electrocatalytic application is demonstrated in Chapter 6 using a combined theoretical and experimental approach. A core-shell alloy, composed of an Ir-Re core and Pt and Pd shell layers, is shown to be an effective low cost electocatalyst for the oxygen reduction reaction. Finally, in Chapters 7 and 8 of this dissertation, DFT calculations are combined with experimental reaction kinetic studies using a microkinetic model to bridge the pressure and materials gap, in a study of nitric oxide reduction by hydrogen on a platinum catalyst. In this work, we show the impact of nitric oxide surface coverage on the reaction energetics and elucidate the reaction pathways governing the activity and selectivity of the reaction on Pt under realistic reaction conditions.
Author: Olaf Deutschmann
Publisher: John Wiley & Sons
ISBN: 3527639888
Category : Science
Languages : en
Pages : 364
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Book Description
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.
