Download or read book Insight Into Hydrogenation Reactions in Heterogeneous Catalysis written by X. M. Cao and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Insight Into Catalytic Hydrogenation of Nitrogen and Carbon Monoxide written by Andrew J. Medford and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational modeling is becoming an increasingly important tool in the design of heterogeneous catalysts. This thesis explores recent advances in the atomic-scale computational design of catalytic materials. Nitrogen hydrogenation is used to illustrate the core concepts in part I, and these concepts are applied to a wide range of carbon monoxide hydrogenation reactions in part II. Nitrogen hydrogenation, or ammonia synthesis, is one of the most important catalytic processes ever discovered. Industrial-scale ammonia synthesis enabled the mass production of fertilizers which are now used to produce approximately half of the global food supply. Ammonia synthesis is also a well-studied and relatively simple catalytic reaction, and has served as a bellwether reaction for computation in heterogeneous catalysis. Part I of this thesis revisits the ammonia synthesis reaction. Chapter 2 discusses the importance of ammonia synthesis and heterogeneous catalysis in general. Chapter 3 introduces density functional theory (DFT), the workhorse method in quantum-mechanical studies of catalytic materials. Chapter 4 examines how DFT energies can be combined with kinetic modeling in order to gain insight into catalytic trends and design strategies for ammonia synthesis. Chapter 5 applies a novel method for uncertainty quantification and error propagation in order to demonstrate the robustness of the computational catalyst design against uncertainty in the DFT calculations. Hydrogenation of carbon monoxide (CO) is a complex process with many potentially valuable products including methane, methanol, and higher hydrocarbons and alcohols. These reactions will play an increasingly important role in the global economy as fossil resources are exhausted and replaced by more sustainable synthetic fuels. Part II of the thesis applies many of the concepts introduced in part I to CO hydrogenation reactions. Chapter 6 examines the production of ethanol from synthesis gas (CO and H2) and applies the techniques of chapter 4 in order to map the activity and selectivity trends across transition-metal (211) surfaces. Several alloys are identified as promising catalysts for selective ethanol synthesis, including CoCu and CoPt alloys. Chapter 7 combines computational methods and experiments to provide insight into the complex selectivity patterns of CO hydrogenation over rhodium catalysts, indicating that the reaction is structure sensitive and that rhodium catalysts are intrinsically selective toward acetaldehyde rather than ethanol. Chapter 8 and chapter 9 examine CO hydrogenation over non-metallic catalysts (Mo2C and ZnO), revealing the importance of surface termination and the fundamentally different surface reactivity of transition-metal compounds.
Download or read book Theoretical Insights Into the Influence of the Solvent on Heterogeneous Catalytic Hydrogenation and Hydrogenolysis Reactions written by Nishant K. Sinha and published by . This book was released on 2011 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Insight Into Hydrogenation of Nitrobenzene in Heterogeneous Catalysis written by Yijun Qi and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Heterogeneous Catalysis in Organic Chemistry written by Gerard V. Smith and published by Academic Press. This book was released on 1999-06-30 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: The features of this book which will be of special interest to academic organic chemists are the introduction (Chapter 1), which presents a short course on the concepts and language of heterogeneous catalysis, covers organic reaction mechanisms of hydrogenation (Chapter 2), hydrogenolysis (Chapter 4), and oxidation (Chapter 6), a presents problems and solutions specific for running heterogeneous catalytic organic reactions in solution. These materials can supplement advanced chemistry courses. Most synthetic organic chemists use a variety of "protecting groups" which they attach to functional groups (reactive groups of atoms) while some reaction is being conducted on another part of the molecule. These protecting groups prevent reactions of the functional groups during other reactions and are removed later by a heterogeneous catalytic method called hydrogenolysis. One unique feature of this book, not found in other books on catalysis, is an exhaustive chapter (Chapter 4) on hydrogenolysis, which is dredged from the recent synthetic literature published by modern organic chemists. Academic organic chemists should find this chapter extremely useful and may wish to adopt the book as a supplement for advanced organic chemistry courses designed for seniors and for graduate students. It will also be useful for professors and their research groups engaged in synthetic organic chemistry. Many academic organic chemists are not aware of recent advances in heterogeneous enantioselective catalysis (Chapter 3) or in selective low temperature, liquid phase heterogeneous catalytic oxidations by hydrogen peroxide (Chapter 6). These specialty topics are timely and may be new to academic organic chemists and can be used to supplement their advanced courses. Several features of this book will also be of special interest to industrial chemists who are unfamiliar with heterogeneous catalysis. Many good organic chemists are hire by industry. They synthesize a new compound using standard organic synthetic techniques but are informed by their supervisor that they must convert some of their synthetic steps into heterogeneous catalytic steps. They may not have been exposed to heterogeneous catalysis and have few places to turn. This book offers them a crash course in heterogeneous catalysis as well as many examples of reactions and conditions with which they can start their search. Those industrial organic chemists already familiar with heterogeneous catalysis will find this book useful as a reference to many examples in the recent literature. They will find recent surface science discoveries correlated with heterogeneous catalysis or organic reactions and mechanistic suggestions designed to stimulate innovative nontraditional thinking about organic reactions on surfaces. - Written by organic chemists for organic chemists - Introduces heterogeneous catalysis concepts and language - Presents a comprehensive compilation of protecting group removal procedures - Covers liquid-phase hydrogenations, hydrogenolysis, and oxidations - Addresses heterogeneous methods for producing pure enantiomers of chiral products - Examines the emerging field of heterogenized homogeneous catalysts - Mixes practical applications with mechanistic interpretations
Download or read book Heterogeneous Enantioselective Hydrogenation written by Evgenii Klabunovskii and published by Springer Science & Business Media. This book was released on 2007-05-22 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous Enantioselective Hydrogenation: Theory and Practice reviews the development of enantioselective hydrogenation reaction catalysts. It looks at the first relatively ineffective catalysts right through to modern highly effective enantioselective catalytic systems, comparable in their efficiency to chiral metal complexes and enzymatic systems. The book begins with a summary of the first work on heterogeneous metal catalysts, which showed only the principal possibilities of enantioselective reactions. It then elaborates on metal catalysts which have enantioselectivities close to 100%. Finally, the practical utilization of chiral catalytic systems in processes of hydrogenation is described. The alpha- and beta-hydroxy carboxylic acid esters produced are precursors for manufacturing many synthones used for medicines as well as for monomers used for biodegradable polyesters, both of which have important practical applications. The volume summarizes more than 800 scientific papers in the field of enantioselective catalytic hydrogenation reactions, mainly those using heterogeneous metal catalysts. It provides detailed explanations of special techniques for the preparation of effective dissymmetric catalysts which provide highly efficient catalytic systems.
Download or read book Insight Into Heterogeneous Catalytic Reactions written by Yifang Zhao and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Heterogeneous Catalysis for the Synthetic Chemist written by Robert L. Augustine and published by CRC Press. This book was released on 2020-08-11 with total page 668 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work delineates the effect of different reaction variables on the outcome of heterogeneously catalyzed reactions, and explains how to optimize the product yield of specific compounds. Metal catalysis, simple and complex oxides, zeolites and clays are discussed, both as catalysts and as potential supports for catalytically active metals.
Download or read book Catalysis of Organic Reactions written by Michael L. Prunier and published by CRC Press. This book was released on 2008-12-24 with total page 679 pages. Available in PDF, EPUB and Kindle. Book excerpt: Apply an Omnibus of Knowledge from Leaders in the Field The unexpected diversity of topics presented at previous gatherings forced organizers of 2008’s 22nd Conference on Catalysis of Organic Reactions to expand its format to reflect the remarkable current degree of specialization in the field. Catalysis of Organic Reactions contains a compilation of papers presented at the event, and subsequently, few books will be able to match the breadth and depth of its content. Featuring papers by respected scientists from academia, industry, and the governmental research-and-development sector, it covers various aspects of the production, sale, and use of catalysts for practical purposes. Articles concentrate on the general area of catalyzed synthesis, emphasizing the production of organic chemicals. With a focus on application rather than theory, the dominant theme is the traditionally practiced area of heterogeneous catalysis. Topics include: Hydrogenation and hydrogenolysis C-C coupling Amination and oxidation (including the precious metal, supported base metal, and sponge metal, Raney process, and homogeneous catalyst types) End uses of products, including industrial petrochemicals, fine chemicals, and pharma intermediates Those working with applied catalysis will benefit greatly from this consolidation of insights and reviews of the latest developments in the field. Each of the papers presented were edited by ORCS members, drawn from both academia and industry, and peer-reviewed by experts in related fields of study.
Download or read book Hydrogenation written by Iyad Karamé and published by BoD – Books on Demand. This book was released on 2012-10-10 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: The domain of catalytic hydrogenation continues to grow fast, reflecting the wide range of chemical applications that can be enhanced by the easy use of molecular hydrogen. The advances in characterization techniques and their application have improved our understanding of the catalytic processes and mechanisms occurring in both homogeneous and heterogeneous catalysis. The aim of this volume, although not exhaustive, is to provide a general overview of new progress of the hydrogenation reactions. This volume comprises a series of various contributions, as reviews or original articles, treating heterogeneously and homogeneously catalyzed hydrogenation reactions. It is composed of three parts: hydrogenation reactions in fine organic chemistry, hydrogenation reactions in environmental chemistry and renewable energy, and special topics in hydrogenation.
Download or read book Insight Into Hydrodeoxygenation Reactions in Heterogeneous Catalysis written by Junheng You and published by . This book was released on 2015 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Catalytic Hydrogenation written by L. Cervený and published by Elsevier. This book was released on 1986-08-01 with total page 705 pages. Available in PDF, EPUB and Kindle. Book excerpt: The collection of contributions in this volume presents the most up-to-date findings in catalytic hydrogenation. The individual chapters have been written by 36 top specialists each of whom has achieved a remarkable depth of coverage when dealing with his particular topic. In addition to detailed treatment of the most recent problems connected with catalytic hydrogenations, the book also contains a number of previously unpublished results obtained either by the authors themselves or within the organizations to which they are affiliated.Because of its topical and original character, the book provides a wealth of information which will be invaluable not only to researchers and technicians dealing with hydrogenation, but also to all those concerned with homogeneous and heterogeneous catalysis, organic technology, petrochemistry and chemical engineering.
Download or read book Heterogeneous Enantioselective Hydrogenation written by Evgenii Klabunovskii and published by Springer. This book was released on 2006-08-23 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous Enantioselective Hydrogenation: Theory and Practice reviews the development of enantioselective hydrogenation reaction catalysts. It looks at the first relatively ineffective catalysts right through to modern highly effective enantioselective catalytic systems, comparable in their efficiency to chiral metal complexes and enzymatic systems. The book begins with a summary of the first work on heterogeneous metal catalysts, which showed only the principal possibilities of enantioselective reactions. It then elaborates on metal catalysts which have enantioselectivities close to 100%. Finally, the practical utilization of chiral catalytic systems in processes of hydrogenation is described. The alpha- and beta-hydroxy carboxylic acid esters produced are precursors for manufacturing many synthones used for medicines as well as for monomers used for biodegradable polyesters, both of which have important practical applications. The volume summarizes more than 800 scientific papers in the field of enantioselective catalytic hydrogenation reactions, mainly those using heterogeneous metal catalysts. It provides detailed explanations of special techniques for the preparation of effective dissymmetric catalysts which provide highly efficient catalytic systems.
Download or read book Mechanisms In Heterogeneous Catalysis written by Rutger A Van Santen and published by World Scientific. This book was released on 2023-06-28 with total page 719 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterogeneous catalysis has developed over the past two centuries as a technology driven by the needs of society, and is part of Nobel Prize-winning science. This book describes the spectacular increase in molecular understanding of heterogenous catalytic reactions in important industrial processes. Reaction mechanism and kinetics are discussed with a unique focus on their relation with the inorganic chemistry of the catalyst material. An introductory chapter presents the development of catalysis science and catalyst discovery from a historical perspective. Five chapters that form the thrust of the book are organized by type of reaction, reactivity principles, and mechanistic theories, which provide the scientific basis to structure-function relationships of catalyst performance. Present-day challenges to catalysis are sketched in a final chapter. Written by one of the world's leading experts on the topic, this definitive text is an essential reference for students, researchers and engineers working in this multibillion-dollar field.
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.
Download or read book Hydrogen Transfer Reactions written by Gabriela Guillena and published by Springer. This book was released on 2016-09-27 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.
Download or read book Heterogeneous Catalysis and Fine Chemicals IV written by H.U. Blaser and published by Elsevier. This book was released on 1997-06-19 with total page 693 pages. Available in PDF, EPUB and Kindle. Book excerpt: After three meetings in Poitiers, France, the 4th International Symposium on Heterogeneous Catalysis and Fine Chemicals was held under the auspices of the New Swiss Chemical Society in Basel, Switzerland. Fundamental as well as applied contributions on the use of heterogeneous catalysis for the preparation of fine chemicals were presented and discussed.The program consisted of 4 plenary lectures, 28 oral contributions and around 90 posters covering a broad range of reactions and catalytic aspects. 82 of these contributions are collected in the present proceedings, grouped into the following 8 topical areas:- Industrial and engineering problems (7 contributions)- Alkylation and acylation reactions (11 contributions)- Enantio- and diastereoselective hydrogenation reactions (9 contributions)- Chemoselective hydrogenation reactions (12 contributions)- Oxidation reactions (14 contributions)- Immobilized and encapsulated complex catalysts (12 contributions)- Zeolite and clay catalysts (12 contributions)- Miscellaneous topics (5 contributions)
