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Modeling And Simulation Of Heterogeneous Catalytic Processes
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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
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 364 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 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.
Book Synopsis Mechanisms in Homogeneous and Heterogeneous Epoxidation Catalysis by : S. Ted Oyama
Download or read book Mechanisms in Homogeneous and Heterogeneous Epoxidation Catalysis written by S. Ted Oyama and published by Elsevier. This book was released on 2011-10-13 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: The catalytic epoxidation of olefins plays an important role in the industrial production of several commodity compounds, as well as in the synthesis of many intermediates, fine chemicals, and pharmaceuticals. The scale of production ranges from millions of tons per year to a few grams per year. The diversity of catalysts is large and encompasses all the known categories of catalyst type: homogeneous, heterogeneous, and biological. This book summarizes the current status in these fields concentrating on rates, kinetics, and reaction mechanisms, but also covers broad topics including modeling, computational simulation, process concepts, spectroscopy and new catalyst development. The similarities and distinctions between the different reaction systems are compared, and the latest advances are described. * Comprehensive listing of epoxide products * Broad comparison of turnover frequencies of homogeneous, hetergeneous, main-group, biomimetic and biological catalysts * Analysis of the general strengths and weaknesses of varied catalytic systems * Detailed description of the mechanisms of reaction for classical and emerging catalysts
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.
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.
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
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.
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.
Book Synopsis Design of Heterogeneous Catalysts by : Umit S. Ozkan
Download or read book Design of Heterogeneous Catalysts written by Umit S. Ozkan and published by John Wiley & Sons. This book was released on 2009-02-11 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Fundamental Concepts in Heterogeneous Catalysis by : Jens K. Nørskov
Download or read book Fundamental Concepts in Heterogeneous Catalysis written by Jens K. Nørskov and published by John Wiley & Sons. This book was released on 2014-10-27 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
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.
Book Synopsis Theoretical Aspects of Heterogeneous Catalysis by : M.A. Nascimento
Download or read book Theoretical Aspects of Heterogeneous Catalysis written by M.A. Nascimento and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Chemical Reactor Analysis and Design by : Gilbert F. Froment
Download or read book Chemical Reactor Analysis and Design written by Gilbert F. Froment and published by . This book was released on 1990-01-16 with total page 706 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the Second Edition of the standard text on chemical reaction engineering, beginning with basic definitions and fundamental principles and continuing all the way to practical applications, emphasizing real-world aspects of industrial practice. The two main sections cover applied or engineering kinetics, reactor analysis and design. Includes updated coverage of computer modeling methods and many new worked examples. Most of the examples use real kinetic data from processes of industrial importance.
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.
Book Synopsis Unsteady State Processes in Catalysis by : Yu S. Matros
Download or read book Unsteady State Processes in Catalysis written by Yu S. Matros and published by VSP. This book was released on 1990-12 with total page 728 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the last decades the investigation methods of unsteady state catalytic processes have been widely developed by the response-technique methods. From this research emerged the realization that under unsteady state conditions and, especially under artificially created ones, it is possible to increase the productivity or selectivity of a catalyst or a catalytical process as a whole. The scientific literature in this field is mostly theoretical and aims at structuring and analysing mathematical models of unsteady state catalytical processes. In this book the theoretical and applied aspects of an efficiency of artificially created unsteady conditions in catalysis are discussed. It contains the lectures from researchers from all over the world that were held during the International Conference ''Unsteady State Processes in Catalysis'', 5--8 June 1990, Novosibirsk (USSR). Topics include: -- The problems of dynamics of a catalyst surface -- Kinetic models of unsteady processes -- Dynamics of chemical reactors -- Artificially created unsteady processes in a catalytic reactor.
Book Synopsis Reaction Kinetics and the Development of Catalytic Processes by : G.F. Froment
Download or read book Reaction Kinetics and the Development of Catalytic Processes written by G.F. Froment and published by Elsevier. This book was released on 1999-03-18 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: The symposium "Reaction Kinetics and the Development of Catalytic Processes" is the continuation of the very successful International Symposium "Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis", held in September 1997 in Antwerp, Belgium. These proceedings contain a unique series of top level plenary lectures mainly focused on • the dynamics of catalytic surfaces • the interaction of the reacting molecules with the solid catalyst • the elementary steps of reaction pathways and molecular kinetics. Surface science techniques, molecular modeling, transient kinetic studies, sophisticated and specific reactors are included to a growing extent in the kinetic modeling and the development of catalytic processes. How this is practiced today and how it will evolve in the coming years, and what benefit can be expected for a more fundamentally based approach is the aim of the symposium.
