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.
Download or read book Elementary Reaction Steps in Heterogeneous Catalysis written by R. W. Joyner and published by Springer Science & Business Media. This book was released on 1993 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Elementary Reaction Steps in Heterogeneous Catalysis was studies during the first week in November, 1992, by no fewer than 54 participants, drawn from 11 countries, with both industrial and academic backgrounds. The five sessions reported in the book cover: Catalytic reactivity; Surface science studies in catalysis; In situ methods in catalysis; The contribution of theory to catalytic understanding; and Chemical kinetics and chemical engineering. The book ends with Summary lectures, a list of contributors, and an index.
Download or read book Chemical Kinetics and Reaction Dynamics written by Santosh K. Upadhyay and published by Springer Science & Business Media. This book was released on 2007-04-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
Download or read book Nanoparticles in Catalysis written by Karine Philippot and published by John Wiley & Sons. This book was released on 2021-06-28 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoparticles in Catalysis Discover an essential overview of recent advances and trends in nanoparticle catalysis Catalysis in the presence of metal nanoparticles is an important and rapidly developing research field at the frontier of homogeneous and heterogeneous catalysis. In Nanoparticles in Catalysis, accomplished chemists and authors Karine Philippot and Alain Roucoux deliver a comprehensive guide to the key aspects of nanoparticle catalysis, ranging from synthesis, activation methodology, characterization, and theoretical modeling, to application in important catalytic reactions, like hydrogen production and biomass conversion. The book offers readers a review of modern and efficient tools for the synthesis of nanoparticles in solution or onto supports. It emphasizes the application of metal nanoparticles in important catalytic reactions and includes chapters on activation methodology and supported nanoclusters. Written by an international team of leading voices in the field, Nanoparticles in Catalysis is an indispensable resource for researchers and professionals in academia and industry alike. Readers will also benefit from the inclusion of: A thorough introduction to New Trends in the Design of Metal Nanoparticles and Derived Nanomaterials for Catalysis An exploration of Dynamic Catalysis and the Interface Between Molecular and Heterogeneous Catalysts A practical discussion of Metal Nanoparticles in Water: A Relevant Toolbox for Green Catalysis Organometallic Metal Nanoparticles for Catalysis A concise treatment of the opportunities and challenges of CO2 Hydrogenation to Oxygenated Chemicals Over Supported Nanoparticle Catalysts Perfect for catalytic, organic, inorganic, and physical chemists, Nanoparticles in Catalysis will also earn a place in the libraries of chemists working with organometallics and materials scientists seeking a one-stop resource with expert knowledge on the synthesis and characterization of nanoparticle catalysis.
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
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.
Download or read book Heterogeneous Catalysis written by J. R. H. Ross and published by Elsevier. This book was released on 2011-11-07 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: Julian R.H. Ross
Download or read book Dynamics written by and published by Elsevier. This book was released on 2008-10-09 with total page 1037 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume of the Handbook of Surface Science covers all aspects of the dynamics of surface processes. Two dozen world leading experts in this field address the subjects of energy exchange in gas atoms, surface collisions, the rules governing dissociative adsorption on surfaces, the formation of nanostructures on surfaces by self-assembly, and the study of surface phenomena using ultra-fast lasers. The chapters are written for both newcomers to the field as well as researchers.• Covers all aspects of the dynamics of surface processes • Provides understanding of this unique field utilizing a multitude of accurate experiments and advanced microscopic theory that allows quantum-level comparisons • Presents the concepts and tools relevant beyond surface science for catalysis, nanotechnology, biology, medicine, and materials
Download or read book Heterogeneous Catalysts written by Wey Yang Teoh and published by John Wiley & Sons. This book was released on 2021-02-23 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
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 754 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 Principles of Modern Chemistry written by David W. Oxtoby and published by Harcourt Brace College Publishers. This book was released on 1998-07-01 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: PRINCIPLES OF MODERN CHEMISTRY has dominated the honors and high mainstream general chemistry courses and is considered the standard for the course. The fifth edition is a substantial revision that maintains the rigor of previous editions but reflects the exciting modern developments taking place in chemistry today. Authors David W. Oxtoby and H. P. Gillis provide a unique approach to learning chemical principles that emphasizes the total scientific process'from observation to application'placing general chemistry into a complete perspective for serious-minded science and engineering students. Chemical principles are illustrated by the use of modern materials, comparable to equipment found in the scientific industry. Students are therefore exposed to chemistry and its applications beyond the classroom. This text is perfect for those instructors who are looking for a more advanced general chemistry textbook.
Download or read book Electron Microscopy in Heterogeneous Catalysis written by P.L Gai and published by CRC Press. This book was released on 2003-01-14 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis is one of the most important technologies in the industrial world, controlling more than 90% of industrial chemical processes and essential for large-scale production of plastics and fuel. Exploring the most common type of catalysis used in industry, Electron Microscopy in Heterogeneous Catalysis provides a coherent account of heterogeneo
Download or read book Reaction Rate Theory and Rare Events written by Baron Peters and published by Elsevier. This book was released on 2017-03-22 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises
Download or read book Reactions at Solid Surfaces written by Gerhard Ertl and published by John Wiley & Sons. This book was released on 2010-06-17 with total page 150 pages. Available in PDF, EPUB and Kindle. Book excerpt: Expanding on the ideas first presented in Gerhard Ertl's acclaimed Baker Lectures at Cornell University, Reactions at Solid Surfaces comprises an authoritative, self-contained, book-length introduction to surface reactions for both professional chemists and students alike. Outlining our present understanding of the fundamental processes underlying reactions at solid surfaces, the book provides the reader with a complete view of how chemistry works at surfaces, and how to understand and probe the dynamics of surface reactions. Comparing traditional surface probes with more modern ones, and bringing together various disciplines in a cohesive manner, Gerhard Ertl's Reactions at Solid Surfaces serves well as a primary text for graduate students in introductory surface science or chemistry, as well as a self-teaching resource for professionals in surface science, chemical engineering, or nanoscience.
Download or read book Operando Research in Heterogeneous Catalysis written by Joost Frenken and published by Springer. This book was released on 2016-12-26 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is devoted to the emerging field of techniques for visualizing atomic-scale properties of active catalysts under actual working conditions, i.e. high gas pressures and high temperatures. It explains how to understand these observations in terms of the surface structures and dynamics and their detailed interplay with the gas phase. This provides an important new link between fundamental surface physics and chemistry, and applied catalysis. The book explains the motivation and the necessity of operando studies, and positions these with respect to the more traditional low-pressure investigations on the one hand and the reality of industrial catalysis on the other. The last decade has witnessed a rapid development of new experimental and theoretical tools for operando studies of heterogeneous catalysis. The book has a strong emphasis on the new techniques and illustrates how the challenges introduced by the harsh, operando conditions are faced for each of these new tools. Therefore, one can also read this book as a collection of recipes for the development of operando instruments. At present, the number of scientific results obtained under operando conditions is still limited and mostly focused on a simple test reaction, the catalytic oxidation of CO. This reaction thus forms a natural binding element between the chapters, linking the demonstrations of new techniques, and also connecting the theoretical and experimental studies. Some first results on other reactions are also presented. If there is one thing that can be concluded already in this early stage, it is that the catalytic conditions themselves can have dramatic effects on the structure and composition of the surfaces of catalysts, which, in turn can greatly affect the mechanisms, the activity, and the selectivity of the chemical reactions that they catalyze.
Download or read book Kinetics of Chemical Processes written by Michel Boudart and published by Elsevier. This book was released on 2014-05-16 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetics of Chemical Processes details the concepts associated with the kinetic study of the chemical processes. The book is comprised of 10 chapters that present information relevant to applied research. The text first covers the elementary chemical kinetics of elementary steps, and then proceeds to discussing catalysis. The next chapter tackles simplified kinetics of sequences at the steady state. Chapter 5 deals with coupled sequences in reaction networks, while Chapter 6 talks about autocatalysis and inhibition. The seventh chapter describes the irreducible transport phenomena in chemical kinetics. The next two chapters discuss the correlations in homogenous kinetics and heterogeneous catalysis, respectively. The last chapter covers the analysis of reaction networks. The book will be of great use to students, researchers, and practitioners of scientific disciplines that deal with chemical reaction, particularly chemistry and chemical engineering.
Download or read book Chemical Bonding at Surfaces and Interfaces written by Anders Nilsson and published by Elsevier. This book was released on 2011-08-11 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular surface science has made enormous progress in the past 30 years. The development can be characterized by a revolution in fundamental knowledge obtained from simple model systems and by an explosion in the number of experimental techniques. The last 10 years has seen an equally rapid development of quantum mechanical modeling of surface processes using Density Functional Theory (DFT). Chemical Bonding at Surfaces and Interfaces focuses on phenomena and concepts rather than on experimental or theoretical techniques. The aim is to provide the common basis for describing the interaction of atoms and molecules with surfaces and this to be used very broadly in science and technology. The book begins with an overview of structural information on surface adsorbates and discusses the structure of a number of important chemisorption systems. Chapter 2 describes in detail the chemical bond between atoms or molecules and a metal surface in the observed surface structures. A detailed description of experimental information on the dynamics of bond-formation and bond-breaking at surfaces make up Chapter 3. Followed by an in-depth analysis of aspects of heterogeneous catalysis based on the d-band model. In Chapter 5 adsorption and chemistry on the enormously important Si and Ge semiconductor surfaces are covered. In the remaining two Chapters the book moves on from solid-gas interfaces and looks at solid-liquid interface processes. In the final chapter an overview is given of the environmentally important chemical processes occurring on mineral and oxide surfaces in contact with water and electrolytes. - Gives examples of how modern theoretical DFT techniques can be used to design heterogeneous catalysts - This book suits the rapid introduction of methods and concepts from surface science into a broad range of scientific disciplines where the interaction between a solid and the surrounding gas or liquid phase is an essential component - Shows how insight into chemical bonding at surfaces can be applied to a range of scientific problems in heterogeneous catalysis, electrochemistry, environmental science and semiconductor processing - Provides both the fundamental perspective and an overview of chemical bonding in terms of structure, electronic structure and dynamics of bond rearrangements at surfaces
