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Molecular Heterogeneous Catalysis

Molecular Heterogeneous Catalysis PDF Author: Rutger A. van Santen
Publisher: John Wiley & Sons
ISBN: 3527608346
Category : Science
Languages : en
Pages : 488

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Book Description
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.

Molecular Heterogeneous Catalysis

Molecular Heterogeneous Catalysis PDF Author: Rutger A. van Santen
Publisher: John Wiley & Sons
ISBN: 3527608346
Category : Science
Languages : en
Pages : 488

View

Book Description
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.

Characterization of Solid Materials and Heterogeneous Catalysts, 2 Volume Set

Characterization of Solid Materials and Heterogeneous Catalysts, 2 Volume Set PDF Author: Michel Che
Publisher: John Wiley & Sons
ISBN: 3527326871
Category : Technology & Engineering
Languages : en
Pages : 1313

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Book Description
This two-volume book provides an overview of physical techniques used to characterize the structure of solid materials, on the one hand, and to investigate the reactivity of their surface, on the other. Therefore this book is a must-have for anyone working in fields related to surface reactivity. Among the latter, and because of its most important industrial impact, catalysis has been used as the directing thread of the book. After the preface and a general introduction to physical techniques by M. Che and J.C. Vedrine, two overviews on physical techniques are presented by G. Ertl and Sir J.M. Thomas for investigating model catalysts and porous catalysts, respectively. The book is organized into four parts: Molecular/Local Spectroscopies, Macroscopic Techniques, Characterization of the Fluid Phase (Gas and/ or Liquid), and Advanced Characterization. Each chapter focuses upon the following important themes: overview of the technique, most important parameters to interpret the experimental data, practical details, applications of the technique, particularly during chemical processes, with its advantages and disadvantages, conclusions.

A Molecular View of Heterogeneous Catalysis

A Molecular View of Heterogeneous Catalysis PDF Author: Francqui Colloquium
Publisher: De Boeck Supérieur
ISBN: 9782804126797
Category : Science
Languages : en
Pages : 216

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Book Description
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.

Modeling and Simulation of Heterogeneous Catalytic Reactions

Modeling and Simulation of Heterogeneous Catalytic Reactions PDF Author: Olaf Deutschmann
Publisher: John Wiley & Sons
ISBN: 3527639888
Category : Science
Languages : en
Pages : 370

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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.

Surface and Interfacial Organometallic Chemistry and Catalysis

Surface and Interfacial Organometallic Chemistry and Catalysis PDF Author: C. Copéret
Publisher: Springer Science & Business Media
ISBN: 9783540264965
Category : Science
Languages : en
Pages : 312

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Book Description
With contributions by numerous experts

Principles and Practice of Heterogeneous Catalysis

Principles and Practice of Heterogeneous Catalysis PDF Author: John Meurig Thomas
Publisher: John Wiley & Sons
ISBN: 352731458X
Category : Science
Languages : en
Pages : 768

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Book Description
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.

Heterogeneous Catalysts

Heterogeneous Catalysts PDF Author: Wey Yang Teoh
Publisher: John Wiley & Sons
ISBN: 352781356X
Category : Technology & Engineering
Languages : en
Pages : 768

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Book Description
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 Heterogeneous Catalysis

Theoretical Aspects of Heterogeneous Catalysis PDF Author: M.A. Nascimento
Publisher: Springer Science & Business Media
ISBN: 1402001274
Category : Science
Languages : en
Pages : 262

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Book Description
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.

Design of Heterogeneous Catalysts

Design of Heterogeneous Catalysts PDF 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.

Modern Heterogeneous Catalysis

Modern Heterogeneous Catalysis PDF Author: Rutger A. van Santen
Publisher: John Wiley & Sons
ISBN: 3527694501
Category : Technology & Engineering
Languages : en
Pages : 190

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Book Description
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.