Download or read book Computational Modeling of Homogeneous Catalysis written by Feliu Maseras and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent results on a wide array of catalytic processes are collected in this volume. The book illustrates the importance of computational modelling in homogeneous catalysis by providing up-to-date reviews of its application to a variety of reactions of industrial interest.
Download or read book Computational Modeling for Homogeneous and Enzymatic Catalysis written by Keiji Morokuma and published by John Wiley & Sons. This book was released on 2008-04-09 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here, the world's most active and productive computational scientists from academia and industry present established, effective and powerful tools for understanding catalysts. With its broad scope -- nitrogen fixation, polymerization, C-H bond activation, oxidations, biocatalysis and much more -- this book represents an extensive knowledge base for designing efficient catalysts, allowing readers to improve the performance of their own catalysts.
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
Download or read book Computational Catalysis written by Aravind Asthagiri and published by Royal Society of Chemistry. This book was released on 2014 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.
Download or read book Engineering Solutions for CO2 Conversion written by Tomas Ramirez Reina and published by John Wiley & Sons. This book was released on 2021-02-25 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive guide that offers a review of the current technologies that tackle CO2 emissions The race to reduce CO2 emissions continues to be an urgent global challenge. Engineering Solutions for CO2 Conversion offers a thorough guide to the most current technologies designed to mitigate CO2 emissions ranging from CO2 capture to CO2 utilization approaches. With contributions from an international panel representing a wide range of expertise, this book contains a multidisciplinary toolkit that covers the myriad aspects of CO2 conversion strategies. Comprehensive in scope, it explores the chemical, physical, engineering and economical facets of CO2 conversion. Engineering Solutions for CO2 Conversion explores a broad range of topics including linking CFD and process simulations, membranes technologies for efficient CO2 capture-conversion, biogas sweetening technologies, plasma-assisted conversion of CO2, and much more. This important resource: Addresses a pressing concern of global environmental damage, caused by the greenhouse gases emissions from fossil fuels Contains a review of the most current developments on the various aspects of CO2 capture and utilization strategies Incldues information on chemical, physical, engineering and economical facets of CO2 capture and utilization Offers in-depth insight into materials design, processing characterization, and computer modeling with respect to CO2 capture and conversion Written for catalytic chemists, electrochemists, process engineers, chemical engineers, chemists in industry, photochemists, environmental chemists, theoretical chemists, environmental officers, Engineering Solutions for CO2 Conversion provides the most current and expert information on the many aspects and challenges of CO2 conversion.
Download or read book Carbon Dioxide Electrochemistry written by Marc Robert and published by Royal Society of Chemistry. This book was released on 2020-10-20 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: Homogeneous and Heterogeneous Catalysis
Download or read book Handbook of Transition Metal Polymerization Catalysts written by Ray Hoff and published by John Wiley & Sons. This book was released on 2018-05-08 with total page 696 pages. Available in PDF, EPUB and Kindle. Book excerpt: Including recent advances and historically important catalysts, this book overviews methods for developing and applying polymerization catalysts – dealing with polymerization catalysts that afford commercially acceptable high yields of polymer with respect to catalyst mass or productivity. • Contains the valuable data needed to reproduce syntheses or use the catalyst for new applications • Offers a guide to the design and synthesis of catalysts, and their applications in synthesis of polymers • Includes the information essential for choosing the appropriate reactions to maximize yield of polymer synthesized • Presents new chapters on vanadium catalysts, Ziegler catalysts, laboratory homopolymerization, and copolymerization
Download or read book Homogeneous Catalysis written by Sumit Bhaduri and published by John Wiley & Sons. This book was released on 2014-09-08 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last decade, the area of homogeneous catalysis with transition metal has grown in great scientific interest and technological promise, with research in this area earning three Nobel Prizes and filing thousands of patents relating to metallocene and non-metallocene single site catalysts, asymmetric catalysis, carbon-carbon bond forming metathesis and cross coupling reactions. This text explains these new developments in a unified, cogent, and comprehensible manner while also detailing earlier discoveries and the fundamentals of homogeneous catalysis. Serving as a self-study guide for students and all chemists seeking to gain entry into this field, it can also be used by experienced researchers from both academia and industry for referring to leading state of the art review articles and patents, and also as a quick self-study manual in an area that is outside their immediate expertise. The book features: • Topics including renewable feed stocks (biofuel, glycerol), carbon dioxide based processes (polycarbonates), fluorous solvents, ionic liquid, hydroformylation, polymerization, oxidation, asymmetric catalysis, and more • Basic principles of organometallic chemistry, homogeneous catalysis, and relevant technological issues • Problems and answers, industrial applications (case studies), and examples from proven industrial processes with clear discussions on environmental and techno-commercial issues • Extensive references to cutting edge research with application potential and leading patents • Tables and illustrations to help explain difficult concepts
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.
Download or read book Applied Homogeneous Catalysis with Organometallic Compounds written by Boy Cornils and published by John Wiley & Sons. This book was released on 2017-09-05 with total page 1872 pages. Available in PDF, EPUB and Kindle. Book excerpt: The completely revised third edition of this four-volume classic is fully updated and now includes such topics as as CH-activation and multicomponent reactions. It describes the most important reaction types, new methods and recent developments in catalysis. The internationally renowned editors and a plethora of international authors (including Nobel laureate R. Noyori) guarantee high quality content throughout the book. A "must read" for everyone in academia and industry working in this field.
Download or read book Applied Homogeneous Catalysis written by Arno Behr and published by John Wiley & Sons. This book was released on 2012-04-16 with total page 717 pages. Available in PDF, EPUB and Kindle. Book excerpt: Auf fortgeschrittenem Niveau und mit didaktischem Anspruch bietet Ihnen dieser Band zahlreiche Fragen mit Antworten und eine breite Palette von Fallstudien aus der Industrie, ergänzt durch weiterführende Literaturhinweise und Referenzen der Originalliteratur. Insbesondere geht es um die modernsten katalytischen Prozesse mit ihren Anwendungen in der Pharmazie und der Feinchemikalien-Industrie, wobei auch kommerzielle Aspekte besprochen werden. Der Autor, ein erfahrener Dozent mit Industriepraxis, legt Chemikern und Chemieingenieuren damit ein praxistaugliches Hilfsmittel vor.
Download or read book Computational Studies in Organometallic Chemistry written by Stuart A. Macgregor and published by Springer. This book was released on 2016-05-14 with total page 181 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Structure and Bonding publishes critical Reviews on Topics of Research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus 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 should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed.
Download or read book Bridging Heterogeneous and Homogeneous Catalysis written by Can Li and published by John Wiley & Sons. This book was released on 2014-04-03 with total page 860 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Mechanisms in Homogeneous Catalysis written by Brian Heaton and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: While chemists using spectroscopic methods need to learn from the specialists, they do not normally read the spectroscopists' original papers. This book provides this very information -- summarizing some recent advances in the mechanistic understanding of metallocene polymerization catalysts and the role of NMR spectroscopy in these endeavors. Adopting a real practice-oriented approach, the authors focus on two of the most important spectroscopic techniques with two parts devoted to each of NMR and IR spectroscopy - as well as on important industrial applications with regard to the reaction discussed. Rather than providing a complete and exhaustive review of homogeneous hydrogenation and its detailed mechanisms, the book focuses on the specific spectroscopic techniques and the mechanistic information that has been obtained from their application. The result is unique in its scope, allowing chemists from different fields to learn which techniques can be applied for their specific synthetic problems. The prizewinning editor, Professor Brian Heaton, is the key player in the field, and has brought together here a team of authors to cater for specialists, and researchers in industry and academia.
Download or read book Homogeneous Catalysis written by Piet W.N.M. van Leeuwen and published by Springer Science & Business Media. This book was released on 2006-08-02 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: No available as softcover No other book available that gives insight into so many reactions of importance, while the field of homogeneous catalysis is becoming more and more important to organic chemists, industrial chemists, and academia. Gives real insight in the many new and old reactions of importance, based on the author's extensive experience in both teaching and industrial practice. Provide background to chemists trained in a different discipline and graduate and masters students who take catalysis as a main or secondary topic.
Download or read book Computational Organometallic Chemistry written by Olaf Wiest and published by Springer Science & Business Media. This book was released on 2012-02-27 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods have become an indispensible tool for elucidating the mechanism of organometallic reactions. This snapshot of state-of-the-art computational studies provides an overview of the vast field of computational organometallic chemistry. Authors from Asia, Europe and the US have been selected to contribute a chapter on their specialist areas. Topics addressed include: DFT studies on zirconium-mediated reactions, force field methods in organometallic chemistry, hydrogenation of π-systems, oxidative functionalization of unactivated C-H bonds and olefins, the osmylation reaction, and cobalt carbonyl clusters. The breadth and depth of the contributions demonstrate not only the crucial role that computational methods play in the study of a wide range of organometallic reactions, but also attest the robust health of the field, which continues to benefit from, as well as inspire novel experimental studies.
Download or read book Fundamentals of Organometallic Catalysis written by Dirk Steinborn and published by John Wiley & Sons. This book was released on 2011-11-30 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clearly structured and written with advanced undergraduate, graduate and PhD students in mind, this English edition of a successful German textbook not only focuses on organic reactions, but also on bio-relevant reactions. Important aspects of the catalytic mechanisms are discussed in detail while much additional information is also provided, such as industrial applications of the processes covered. With its many questions and answers included in all chapters at different knowledge levels, this book is also ideal for self-testing before exams.
