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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.
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.
There are two main disciplines in catalysis research -- homogeneous and heterogeneous catalysis. This is due to the fact that the catalyst is either in the same phase (homogeneous catalysis) as the reaction being catalyzed or in a different phase (heterogeneous catalysis). Over the past decade, various approaches have been implemented to combine the advantages of homogeneous catalysis (efficiency, selectivity) with those of heterogeneous catalysis (stability, recovery) by the heterogenization of homogeneous catalysts or by carrying out homogeneous reactions under heterogeneous conditions. This unique handbook fills the gap in the market for an up-to-date work that links both homogeneous catalysis applied to organic reactions and catalytic reactions on surfaces of heterogeneous catalysts. As such, it highlights structural analogies and shows mechanistic parallels between the two, while additionally presenting kinetic analysis methods and models that either work for both homogeneous and heterogeneous catalysis. Chapters cover asymmetric, emulsion, phase-transfer, supported homogeneous, and organocatalysis, as well as in nanoreactors and for specific applications, catalytic reactions in ionic liquids, fluorous and supercritical solvents and in water. Finally, the text includes computational methods for investigating structure-reactivity relations. With its wealth of information, this invaluable reference provides academic and industrial chemists with novel concepts for innovative catalysis research.
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.
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.
This eBook covers the application of high-throughput R&D to both fundamental and applied catalysis including catalyst synthesis, characterization, and testing in various reactor types. Chapters include topics such as applications ranging from optimizations of established industrial catalysts to the discovery of innovative new materials, examples of the development of innovative parallel characterization methods, and cases of real catalyst testing in small scale reactor systems. Readers will also find chapters that cover commodity chemicals produced using continuous gas phase processes as well as fine chemicals produced in liquid phase batch reactors. The potential of industrial chemicals production from biorenewable feedstocks is also presented. The steadily improving high throughput workflows are today being applied to relevant reactions and targets such as hydrotreating, Deacon oxidation, Fischer-Tropsch, propane dehydrogenation, C4 oxidation, methane coupling, exhaust gas catalysis, bio-based Nylon, fuel cells and vitamins. The topics presented in this eBook have been contributed by researchers from academia as well as industry, making this eBook a well-balanced reference, which could be of particular interest to professional, industrial or service R&D labs.
Until now, the literature has offered a rather limited approach to the use of fundamental kinetics and their application to catalytic reactions. Subsequently, this book spans the full range from fundamentals of kinetics and heterogeneous catalysis via modern experimental and theoretical results of model studies to their equivalent large-scale industrial production processes. The result is key knowledge for students at technical universities and professionals already working in industry. '... such an enterprise will be of great value to the community, to professionals as well as graduate and undergraduate students attempting to move into the field of modern catalysis and kinetics. I strongly recommend you publish this book based on the proposal.' - Prof. Dr. G. A. Samorjai, University of California 'Both authors are well respected specialists, with a very long record of original top-quality work and an international reputation. A book from these authors will be considered an authoritative piece of work, I definitely support this project and I am looking forward to use the book when published.' - Prof. Dr. D. E. Resasco, University of Oklahoma 'I wholly support the proposed project. The authors are very competent young colleagues and there is a real need for such a textbook' - Prof. Dr. G. Ertl, Fritz-Haber-Institut, Max-Planck-Gesellschaft, Berlin
Table of contents
This book presents both the fundamentals concepts and latest achievements of a field that is growing in importance since it represents a possible solution for global energy problems. It focuses on an atomic-level understanding of heterogeneous catalysis involved in important energy conversion processes. It presents a concise picture for the entire area of heterogeneous catalysis with vision at the atomic- and nano- scales, from synthesis, ex-situ and in-situ characterization, catalytic activity and selectivity, to mechanistic understanding based on experimental exploration and theoretical simulation. The book: Addresses heterogeneous catalysis, one of the crucial technologies employed within the chemical and energy industries Presents the recent advances in the synthesis and characterization of nanocatalysts as well as a mechanistic understanding of catalysis at atomic level for important processes of energy conversion Provides a foundation for the potential design of revolutionarily new technical catalysts and thus the further development of efficient technologies for the global energy economy Includes both theoretical studies and experimental exploration Is useful as both a textbook for graduate and undergraduate students and a reference book for scientists and engineers in chemistry, materials science, and chemical engineering
Catalysis is a multidisciplinary subject. This book introduces the chemical, materials, and engineering principles of catalysis so that both MSc and PhD students with a basic but not extensive knowledge of chemistry and physics and those with a basic understanding of chemical engineering can learn more about catalysis. Examples are taken from catalytic reactions and catalysts used in the energy, petroleum, and base-chemicals industry.The second edition differs from the first edition in the way basic topics are integrated with catalytic applications. The authors introduce two new chapters: 'Cleaning of Fuels by Hydrotreating' and 'Electrocatalysis'. Hydrotreating is a very important industrial process and offers the opportunity to discuss metal sulfide catalysts. Electrocatalysis gains more and more attention because it can be used to minimize the anthropogenic CO₂ emissions. Solar, wind, and hydroelectricity can drive water electrolysis and CO₂ electroreduction and, therefore, excess renewable electricity can be stored in chemicals.Introduction to Heterogeneous Catalysis (Second Edition) is intended for a one-semester course for master and PhD students who want to learn more about the principles of catalysis. This must-read textbook will enable students to read catalysis literature without much difficulty and presents not only the basic concepts of catalysis but integrates the chemical, materials, and engineering aspects of catalysis with industry examples.