Modeling and Simulation of Heterogeneous Catalytic Reactions

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 3527639888
Total Pages : 370 pages
Book Rating : 4.5/5 (276 download)

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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.

Modeling and Simulation of Heterogeneous Catalytic Processes

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Author :
Publisher : Academic Press
ISBN 13 : 012800455X
Total Pages : 312 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Modeling and Simulation of Heterogeneous Catalytic Processes by :

Download or read book Modeling and Simulation of Heterogeneous Catalytic Processes written by and published by Academic Press. This book was released on 2014-09-22 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis and mathematical modeling are essential components of the continuing search for better utilization of raw materials and energy, with reduced impact on the environment. Numerical modeling of chemical systems has progressed rapidly due to increases in computer power, and is used extensively for analysis, design and development of catalytic reactors and processes. This book presents reviews of the state-of-the-art in modeling of heterogeneous catalytic reactors and processes. Reviews by leading authorities in the respective areas Up-to-date reviews of latest techniques in modeling of catalytic processes Mix of US and European authors, as well as academic/industrial/research institute perspectives Connections between computation and experimental methods in some of the chapters

Catalytic Kinetics

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Author :
Publisher : Elsevier
ISBN 13 : 0444634630
Total Pages : 752 pages
Book Rating : 4.4/5 (446 download)

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Book Synopsis Catalytic Kinetics by : Dmitry Yu Murzin

Download or read book Catalytic Kinetics written by Dmitry Yu Murzin and published by Elsevier. This book was released on 2016-06-04 with total page 752 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalytic Kinetics: Chemistry and Engineering, Second Edition offers a unified view that homogeneous, heterogeneous, and enzymatic catalysis form the cornerstone of practical catalysis. The book has an integrated, cross-disciplinary approach to kinetics and transport phenomena in catalysis, but still recognizes the fundamental differences between different types of catalysis. In addition, the book focuses on a quantitative chemical understanding and links the mathematical approach to kinetics with chemistry. A diverse group of catalysts is covered, including catalysis by acids, organometallic complexes, solid inorganic materials, and enzymes, and this fully updated second edition contains a new chapter on the concepts of cascade catalysis. Finally, expanded content in this edition provides more in-depth discussion, including topics such as organocatalysis, enzymatic kinetics, nonlinear dynamics, solvent effects, nanokinetics, and kinetic isotope effects. Fully revised and expanded, providing the latest developments in catalytic kinetics Bridges the gaps that exist between hetero-, homo- and enzymatic-catalysis Provides necessary tools and new concepts for researchers already working in the field of catalytic kinetics Written by internationally-renowned experts in the field Examples and exercises following each chapter make it suitable as an advanced course book

Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis

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Author :
Publisher : MDPI
ISBN 13 : 303921179X
Total Pages : 214 pages
Book Rating : 4.0/5 (392 download)

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Book Synopsis Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis by : Pascal Granger

Download or read book Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis written by Pascal Granger and published by MDPI. This book was released on 2019-07-11 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetics and reactor modeling for heterogeneous catalytic reactions are prominent tools for investigating and understanding catalyst functionalities at nanoscale and the related rates of complex reaction networks. This book illustrates some examples related to the transformation of simple to more complex feedstocks, including different types of reactor designs, i.e., steady-state, transient plug flow reactors, and TAP reactors for which there is sometimes a strong gap in the operating conditions from ultra-high-vacuum to high-pressure conditions. In conjunction, new methodologies have emerged, giving rise to more robust microkinetics models. As exemplified, they include the kinetics and the dynamics of the reactors and span a large range of length and time scales. The objective of this Special Issue is to provide contributions that can illustrate recent advances and novel methodologies for elucidating the kinetics of heterogeneous reactions and the necessary multiscale approach for optimizing the reactor design. This book is dedicated to postgraduate and scientific researchers, and experts in heterogeneous catalysis. It may also serve as a source of original information for the elaboration of lessons on catalysis for Master students.

Catalytic Reactors

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Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110390124
Total Pages : 356 pages
Book Rating : 4.1/5 (13 download)

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Book Synopsis Catalytic Reactors by : Basudeb Saha

Download or read book Catalytic Reactors written by Basudeb Saha and published by Walter de Gruyter GmbH & Co KG. This book was released on 2016-01-01 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reactor design for Chemical Engineering deals with maximization of product yields and the net present value for the chemical reaction, optimization of the reaction efficiency, and minimization of costs. This book discusses the best choice of catalysts, different reaction steps and intermediates and the design of the catalytic reactors, in which the catalysis and chemical reaction are combined to achieve intensification.

Modelling, Simulation and Optimization of Industrial Fixed Bed Catalytic Reactors

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Author :
Publisher : Routledge
ISBN 13 : 135143067X
Total Pages : 478 pages
Book Rating : 4.3/5 (514 download)

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Book Synopsis Modelling, Simulation and Optimization of Industrial Fixed Bed Catalytic Reactors by : S.S.E.H. Elnashaie

Download or read book Modelling, Simulation and Optimization of Industrial Fixed Bed Catalytic Reactors written by S.S.E.H. Elnashaie and published by Routledge. This book was released on 2022-01-27 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the last two decades impressive advances have been made toward the understanding and quantitative description of the kinetics. Despite these advances, however, the use of mathematical modelling of gas-solid catalytic reactors in industry is still limited. By consolidating progress in the understanding of catalytic processes, this book applies these fundamental advances to the development of models for design, simulation and optimization of industrial reactors. Paying particular attention to the verification of the developed models against industrial data, these models are used to optimize the performance of many practical reactor cases. Using a systems approach for the development of the different components and the resulting overall models, the book is easy to read and gives an insight into the behaviour of these complex industrial systems. In addition, the practical relevance of bifurcation, instability and chaos to industrial reactors is briefly discussed.

Modelling, Simulation and Optimization of Industrial Fixed Bed Catalytic Reactors

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Author :
Publisher : CRC Press
ISBN 13 : 9782881248832
Total Pages : 514 pages
Book Rating : 4.2/5 (488 download)

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Book Synopsis Modelling, Simulation and Optimization of Industrial Fixed Bed Catalytic Reactors by : S. S. E. H. Elnashaie

Download or read book Modelling, Simulation and Optimization of Industrial Fixed Bed Catalytic Reactors written by S. S. E. H. Elnashaie and published by CRC Press. This book was released on 1994-03-07 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of mathematical modelling of gas-solid catalytic reactors in industry is still limited. By consolidating progress in the understanding of catalytic processes, this book applies these fundamental advances to the development of models for design, simulation and optimization of industrial reactors.

Isotopic Assessment of Heterogeneous Catalysis

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Author :
Publisher : Elsevier
ISBN 13 : 0323160182
Total Pages : 208 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Isotopic Assessment of Heterogeneous Catalysis by : John Happel

Download or read book Isotopic Assessment of Heterogeneous Catalysis written by John Happel and published by Elsevier. This book was released on 2012-12-02 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: Isotopic Assessment of Heterogeneous Catalysis deals with the use of isotopic tracing to study the reaction mechanisms involved in heterogeneous catalysis. It presents special methods for using isotopic and radioactive atomic species for obtaining meaningful kinetic data that can be quantitatively used in mechanistic modeling. It also considers a number of industrial reactions under steady-state reaction conditions in which superposed tracer transfer is also at steady state. This book is comprised of eight chapters and begins with an introduction to heterogeneous catalysis and an approach to reaction modeling, as well as the experimental reactors for obtaining the type of measurements and data needed in transient modeling. The application of isotopes in studies of heterogeneous catalysis is also discussed. Subsequent chapters focus on the choice of intermediates and reaction steps in tracer experiments; the number of overall stoichiometric chemical reactions that can occur in order to generate product molecules from reactants; superposition modeling of mechanisms; and steady-state tracing. Transient tracing and the development of rate equations are also described. This monograph is intended primarily for students and teachers of such subjects as physical chemistry, as well as research scientists and technologists.

Molecular Heterogeneous Catalysis

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Publisher : John Wiley & Sons
ISBN 13 : 3527608346
Total Pages : 488 pages
Book Rating : 4.5/5 (276 download)

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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.

The Microkinetics of Heterogeneous Catalysis

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Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 340 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis The Microkinetics of Heterogeneous Catalysis by : J. A. Dumesic

Download or read book The Microkinetics of Heterogeneous Catalysis written by J. A. Dumesic and published by Wiley-VCH. This book was released on 1993-04-20 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Defines the emerging field of catalytic reaction synthesis in the search for new catalysts and catalytic processes. Illustrates how experimental data from diverse sources can be consolidated to form a quantitative description of the essential chemistry taking place on the catalyst surface. Elucidates the possible relationships between catalyst kinetic properties and surface chemical bonding properties. Offers examples of microkinetic analysis and catalytic reaction synthesis for a variety of catalytic reactions over metals, oxides, and zeolite catalysts. Illustrates the underlying strategy used to formulate a microkinetic model, calibrate the model to the existing experimental data, and assess the critical aspects of the essential surface chemistry involved in the catalytic process.

Laboratory Studies of Heterogeneous Catalytic Processes

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Publisher : Elsevier
ISBN 13 : 9780080887340
Total Pages : 259 pages
Book Rating : 4.8/5 (873 download)

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Book Synopsis Laboratory Studies of Heterogeneous Catalytic Processes by : E.G. Christoffel

Download or read book Laboratory Studies of Heterogeneous Catalytic Processes written by E.G. Christoffel and published by Elsevier. This book was released on 1989-01-01 with total page 259 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing a concise treatment of methods of heterogeneous catalysis used in the laboratory, this book describes the basic phenomena of heterogeneous catalytic reaction systems and discusses in detail the experimental methods and procedures for investigating these systems. The introductory chapter illustrates the whole procedure with an actual example. The next chapter presents the basic phenomena of catalytic systems and the concepts used in studying them. The third chapter covers the description of methods for investigating reaction mechanisms and the dynamics of heterogeneous catalytic reaction systems. The last chapter discusses the design and operation modes of laboratory reactors, frequently used for the investigation of heterogeneous catalytic reactions. The approach is interdisciplinary, providing a balance between chemical engineering and chemical viewpoints of treating laboratory-scale reactors. Chemists and chemical engineers involved in catalyst research will be very interested in this book and it can also be usefully used in specialized courses for graduate students in chemistry or in chemical reaction engineering.

Modeling and Simulation of Catalytic Reactors for Petroleum Refining

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Publisher : John Wiley & Sons
ISBN 13 : 1118002164
Total Pages : 449 pages
Book Rating : 4.1/5 (18 download)

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Book Synopsis Modeling and Simulation of Catalytic Reactors for Petroleum Refining by : Jorge Ancheyta

Download or read book Modeling and Simulation of Catalytic Reactors for Petroleum Refining written by Jorge Ancheyta and published by John Wiley & Sons. This book was released on 2011-04-20 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling and Simulation of Catalytic Reactors for Petroleum Refining deals with fundamental descriptions of the main conversion processes employed in the petroleum refining industry: catalytic hydrotreating, catalytic reforming, and fluid catalytic cracking. Common approaches for modeling of catalytic reactors for steady-state and dynamic simulations are also described and analyzed. Aspects such as thermodynamics, reaction kinetics, process variables, process scheme, and reactor design are discussed in detail from both research and commercial points of view. Results of simulation with the developed models are compared with those determined at pilot plant scale as well as commercial practice. Kinetics data used in the reactor model are either taken from the literature or obtained under controlled experiments at the laboratory.

Heterogeneous Catalysis

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Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110624931
Total Pages : 216 pages
Book Rating : 4.1/5 (16 download)

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Book Synopsis Heterogeneous Catalysis by : Abdullah A. Shaikh

Download or read book Heterogeneous Catalysis written by Abdullah A. Shaikh and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-08-10 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook is a perfect introduction to heterogeneous catalysis focusing on the industrial implementation. It is written in a comprehensible manner using language that is easy accessible and provides problems to practice.

Kinetics of Heterogeneous Catalytic Reactions

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Publisher : Princeton University Press
ISBN 13 : 1400853338
Total Pages : 241 pages
Book Rating : 4.4/5 (8 download)

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Book Synopsis Kinetics of Heterogeneous Catalytic Reactions by : Michel Boudart

Download or read book Kinetics of Heterogeneous Catalytic Reactions written by Michel Boudart and published by Princeton University Press. This book was released on 2014-07-14 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a critical account of the principles of the kinetics of heterogeneous catalytic reactions in the light of recent developments in surface science and catalysis science. Originally published in 1984. The Princeton Legacy Library uses the latest print-on-demand technology to again make available previously out-of-print books from the distinguished backlist of Princeton University Press. These editions preserve the original texts of these important books while presenting them in durable paperback and hardcover editions. The goal of the Princeton Legacy Library is to vastly increase access to the rich scholarly heritage found in the thousands of books published by Princeton University Press since its founding in 1905.

Combinatorial Catalysis and High Throughput Catalyst Design and Testing

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 9401143293
Total Pages : 497 pages
Book Rating : 4.4/5 (11 download)

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Book Synopsis Combinatorial Catalysis and High Throughput Catalyst Design and Testing by : E.G. Derouane

Download or read book Combinatorial Catalysis and High Throughput Catalyst Design and Testing written by E.G. Derouane and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysts are central in modern industrial chemistry and there is an urgent need to develop new catalysts. Such a rapid pace of development brings with it a new set of challenges at all levels of research, from synthesis and characterization to testing and modelling. This book reviews the current status of combinatorial catalysis, scientific catalyst design techniques, methods for preparing inorganic combinatorial libraries, experimental design methods, data processing, system modelling an simulation, and catalyst testing. The individual contributions reveal the development of high throughput catalyst design and test methods and identify the main challenges in the field, including new catalyst preparation techniques, rapid performance evaluation, and new microreactor configurations. Readership: All those working in catalytic process analysis and development. The extensive review of catalysis principles is especially relevant for postgraduate students seeking to pursue studies in catalysis.

Catalysis

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Publisher : Elsevier
ISBN 13 : 9780080886985
Total Pages : 462 pages
Book Rating : 4.8/5 (869 download)

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Book Synopsis Catalysis by : J.A. Moulijn

Download or read book Catalysis written by J.A. Moulijn and published by Elsevier. This book was released on 1993-09-09 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis is a multidisciplinary activity which is reflected in this book. The editors have chosen a novel combination of basic disciplines - homogeneous catalysis by metal complexes is treated jointly with heterogeneous catalysis with metallic and non-metallic solids. The main theme of the book is the molecular approach to industrial catalysis. In the introductory section Chapter 1 presents a brief survey of the history of industrial heterogeneous and homogeneous catalysis. Subsequently, a selection of current industrial catalytic processes is described (Chapter 2). A broad spectrum of important catalytic applications is presented, including the basic chemistry, some engineering aspects, feedstock sources and product utilisation. In Chapter 3, kinetic principles are treated. The section on fundamental catalysis begins with a description of the bonding in complexes and to surfaces (Chapter 4). The elementary steps on complexes and surfaces are described. The chapter on heterogeneous catalysis (5) deals with the mechanistic aspects of three groups of important reactions: syn-gas conversion, hydrogenation, and oxidation. The main principles of metal and metal oxide catalysis are presented. Likewise, the chapter on homogeneous catalysis (6) concentrates on three reactions representing examples from three areas: carbonylation, polymerization, and asymmetric catalysis. Identification by in situ techniques has been included. Many constraints to the industrial use of a catalyst have a macroscopic origin. In applied catalysis it is shown how catalytic reaction engineering deals with such macroscopic considerations in heterogeneous as well as homogeneous catalysis (Chapter 7). The transport and kinetic phenomena in both model reactors and industrial reactors are outlined. The section on catalyst preparation (Chapters 8 and 9) is concerned with the preparation of catalyst supports, zeolites, and supported catalysts, with an emphasis on general principles and mechanistic aspects. For the supported catalysts the relation between the preparative method and the surface chemistry of the support is highlighted. The molecular approach is maintained throughout. The first chapter (10) in the section on catalyst characterization summarizes the most common spectroscopic techniques used for the characterisation of heterogeneous catalysts such as XPS, Auger, EXAFS, etc. Temperature programmed techniques, which have found widespread application in heterogeneous catalysis both in catalyst characterization and simulation of pretreatment procedures, are discussed in Chapter 11. A discussion of texture measurement, theory and application, concludes this section (12). The final chapter (13) gives an outline of current trends in catalysis. Two points of view are adopted: the first one focusses on developments in process engineering. Most often these have their origin in demands by society for better processes. The second point of view draws attention to the autonomous developments in catalysis, which is becoming one of the frontier sciences of physics and chemistry. In this book emphasis is on those reactions catalyzed by heterogeneous and homogeneous catalysts of industrial relevance. The integrative treatment of the subject matter involves many disciplines, consequently, the writing of the book has been a multi-author task. The editors have carefully planned and harmonized the contents of the chapters.

Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis

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Author :
Publisher :
ISBN 13 : 9783039211807
Total Pages : 214 pages
Book Rating : 4.2/5 (118 download)

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Book Synopsis Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis by : Pascal Granger

Download or read book Multiscale and Innovative Kinetic Approaches in Heterogeneous Catalysis written by Pascal Granger and published by . This book was released on 2019 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetics and reactor modeling for heterogeneous catalytic reactions are prominent tools for investigating and understanding catalyst functionalities at nanoscale and the related rates of complex reaction networks. This book illustrates some examples related to the transformation of simple to more complex feedstocks, including different types of reactor designs, i.e., steady-state, transient plug flow reactors, and TAP reactors for which there is sometimes a strong gap in the operating conditions from ultra-high-vacuum to high-pressure conditions. In conjunction, new methodologies have emerged, giving rise to more robust microkinetics models. As exemplified, they include the kinetics and the dynamics of the reactors and span a large range of length and time scales. The objective of this Special Issue is to provide contributions that can illustrate recent advances and novel methodologies for elucidating the kinetics of heterogeneous reactions and the necessary multiscale approach for optimizing the reactor design. This book is dedicated to postgraduate and scientific researchers, and experts in heterogeneous catalysis. It may also serve as a source of original information for the elaboration of lessons on catalysis for Master students.