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Theoretical Aspects Of Heterogeneous Catalysis

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Theoretical Aspects Of Heterogeneous Catalysis

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Author : John B. Moffat
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09

Theoretical Aspects Of Heterogeneous Catalysis written by John B. Moffat and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-09 with Technology & Engineering categories.

Catalysis involves just about every field of scientific study. This means that a multidisciplinary approach is needed in catalytic studies. Catalysis involves breaking and forming new bonds and this requires an under standing of either adsorption by bonding to an extended structures or bonding in a coordination sphere. Any understanding of catalytic action must necessarily involve an understanding of this bonding. Even 200 years ago scientists were aware that a properly treated mate rial, such as charcoal, could adsorb an enormous quantity of gas. In 1812, de Sassasure (English translation, Annal Philosphy, 6, 241 (1815» pro posed that the ability of a material to increase the rate of chemical reac tion was due to adsorption of the material in the fine structure of the solid so that the concentrations of the reactants were significantly increased, and this increase in concentration led to an increase in reaction rate. During the 1800s, little advance was made in the understanding of adsorp tion.

Theoretical Aspects Of Heterogeneous Catalysis

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Author : M.A. Nascimento
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11

Theoretical Aspects Of Heterogeneous Catalysis written by M.A. Nascimento and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-04-11 with Science categories.

Heterogeneous catalysis is a fascinating and complex subject of utmost importance in the present day. Its immense technological and economical importance and the inherent complexity of the catalytic phenomena have stimulated theoretical and experimental studies by a broad spectrum of scientists, including chemists, physicists, chemical engineers, and material scientists. Computational and theoretical techniques are now having a major impact in this field. This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces. The book covers: the use of techniques of computational chemistry to simulate zeolites, metallic and bimetallic surfaces, and oxide-supported metals; the impact of simulation methods on the understanding of the diffusion and adsorption of molecules and cations within the pores of zeolites, and also on the adsorption of molecules on metal and metal-oxide surfaces; and the applications of quantum-mechanical methods to the study of the reaction mechanism and pathways of the adsorbed molecules. This book is recommended primarily to scientists and graduate students conducting research in the fields of heterogeneous catalysis and surface science. It will also be valuable to advanced undergraduate students wishing to become acquainted with the latest developments in these exciting fields of research, and to experimentalists seeking theoretical support for interpreting their results.

Theoretical Aspects Of Heterogeneous Catalysis

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Author : John B Moffat
language : en
Publisher:
Release Date : 1990-06-30

Theoretical Aspects Of Heterogeneous Catalysis written by John B Moffat and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990-06-30 with categories.

Theoretical Aspects Of Heterogeneous Catalysis

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Author : M.A. Nascimento
language : en
Publisher: Springer Science & Business Media
Release Date : 2001-12-31

Heterogeneous Catalysts

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Author : Wey Yang Teoh
language : en
Publisher: John Wiley & Sons
Release Date : 2021-02-23

Heterogeneous Catalysts written by Wey Yang Teoh and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-23 with Technology & Engineering categories.

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.

Theoretical Aspects Of Transition Metal Catalysis

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Author : Gernot Frenking
language : en
Publisher: Springer Science & Business Media
Release Date : 2005-06-23

Theoretical Aspects Of Transition Metal Catalysis written by Gernot Frenking and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-06-23 with Science categories.

Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds. Many efforts are being made by industry and academia to find new and more efficient catalysts for chemical processes. Transition metals play a prominent role in catalytic research because they have been proven to show an enormous diversity in lowering the activation barrier for chemical reactions. For many years, the search for new catalysts was carried out by trial and error, which was costly and time consuming. The understanding of the mechanism of the catalytic process is often not very advanced because it is difficult to study the elementary steps of the catalysis with experimental techniques. The development of modern quantum chemical methods for calculating possible intermediates and transition states was a breakthrough in gaining an understanding of the reaction pathways of transition metal catalyzed reactions. This volume, organized into eight chapters written by leading scientists in the field, illustrates the progress made during the last decade. The reader will obtain a deep insight into the present state of quantum chemical research in transition metal catalysis.

Heterogeneous Catalysis

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Author : Giovanni Palmisano
language : en
Publisher: Elsevier
Release Date : 2022-01-08

Heterogeneous Catalysis written by Giovanni Palmisano and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-01-08 with Technology & Engineering categories.

Approx.320 pagesApprox.320 pages

Theoretical Heterogeneous Catalysis

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Author : Rutger A Van Santen
language : en
Publisher: World Scientific
Release Date : 1991-07-22

Theoretical Heterogeneous Catalysis written by Rutger A Van Santen and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991-07-22 with Science categories.

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.

Fundamental Concepts In Heterogeneous Catalysis

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Author : Jens K. Nørskov
language : en
Publisher: John Wiley & Sons
Release Date : 2014-08-25

Fundamental Concepts In Heterogeneous Catalysis written by Jens K. Nørskov and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-08-25 with Technology & Engineering categories.

This book is based on a graduate course and suitable as a primer for any newcomer to the field, this book is a detailed introduction to the experimental and computational methods that are used to study how solid surfaces act as catalysts. Features include: First comprehensive description of modern theory of heterogeneous catalysis Basis for understanding and designing experiments in the field Allows reader to understand catalyst design principles Introduction to important elements of energy transformation technology Test driven at Stanford University over several semesters

Principles And Practice Of Heterogeneous Catalysis

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Author : John Meurig Thomas
language : en
Publisher: John Wiley & Sons
Release Date : 2014-12-11

Principles And Practice Of Heterogeneous Catalysis written by John Meurig Thomas and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-12-11 with Science categories.

This long-awaited second edition of the successful introduction to the fundamentals of heterogeneous catalysis is now completely revised and updated. Written by internationally acclaimed experts, this textbook includes fundamentals of adsorption, characterizing catalysts and their surfaces, the significance of pore structure and surface area, solid-state and surface chemistry, poisoning, promotion, deactivation and selectivity of catalysts, as well as catalytic process engineering. A final section provides a number of examples and case histories. With its color and numerous graphics plus references to help readers to easily find further reading, this is a pivotal work for an understanding of the principles involved.

Theoretical Aspects Of Heterogeneous Catalysis

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