Computer Modelling of Microporous and Mesoporous Materials PDF Download

Author: Charles Richard Arthur Catlow
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Full text engineering e-book.

Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 008047229X
Category : Technology & Engineering
Languages : en
Pages : 303

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Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the versatile and exciting ranges of mesoporous materials. Computational methods have a long and successful history of application in solid state and materials science, where they are indeed established tools in modelling structural and dynamic properties of the bulk and surfaces of solids; and where they are playing an increasingly important role in understanding reactivity. Their application to zeolite science developed strongly in the 1980's, with the initial successes in modelling structure and sorption, and with emerging capability in quantum mechanical methods. The field was reviewed over ten years, since then there have been major developments in techniques and of course the power of the available hardware, which have promoted a whole range of new applications to real complex problems in the science of microporous materials. Computer Modelling of Microporous Materials aims to summarise and illustrate the current capabilities of atomistic computer modelling methods in this growing field. Details advances in the rapidly expanding field of microporous materials Summarises key current techniques in this type of modelling Illustrates the current capabilities of atomistic computer modelling methods

Author: Richard Catlow
Publisher: Academic Press
ISBN: 9780121641368
Category :
Languages : en
Pages : 320

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Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 0128050586
Category : Technology & Engineering
Languages : en
Pages : 372

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Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. Authored and edited by experts in the field of micro- and meso-porous materials Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science

Author: Scott M. Auerbach
Publisher: CRC Press
ISBN: 0824756126
Category : Technology & Engineering
Languages : en
Pages : 1526

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The Handbook of Zeolite Science and Technology offers effective analyses ofsalient cases selected expressly for their relevance to current and prospective research. Presenting the principal theoretical and experimental underpinnings of zeolites, this international effort is at once complete and forward-looking, combining fundamental concepts with the most sophisticated data for each scientific subtopic and budding technology. Supplying over 750 figures, and 350 display equations, this impressive achievement in zeolite science observes synthesis through the lens of MFI (ZSM-5 and silicalite). Chapters progress from conceptual building blocks to complex research presentations.

Author: Jiri Cejka
Publisher: Gulf Professional Publishing
ISBN: 9780444520661
Category : Science
Languages : en
Pages : 404

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Zeolites are the most frequently used industrial catalysts. Their applications range from oil refining, petrochemistry and the synthesis of special chemicals to environmental catalysis. Rapid progress in basic research and the development of new processes has resulted in the first Federation of European Zeolite Associations (FEZA) School on Zeolites. Zeolites and Ordered Mesoporous Materials: Progress and Prospects reflects the programme of the first School on Zeolites, held in Prague on August 20-21, 2005. Readers gain insight into the synthesis of the ever-expanding spectrum of zeolites, zeotypes and ordered mesoporous materials including the use of zeolites and mesoporous materials as catalysts in organic conversions. These range from the fascinating ship-in-bottle systems via cascade reactions to bulk applications in oil-refining and petrochemistry. Contributions from world experts enhance the book, with select chapters on trends in the molecular sieves field, zeolite structures, ion-exchange properties of zeolites, advanced applications (with unique technologies and opportunities) and a chapter on natural zeolites. * Contains contributions from world experts in the field * Includes an account of the frontier topic of high-throughput techniques * Reviews the application of quantum-chemical methods to zeolite science to show the necessity of combining experimental and theoretical approaches

Author: H. Chon
Publisher: Elsevier
ISBN: 0080539777
Category : Technology & Engineering
Languages : en
Pages : 749

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The proceedings of the 11th Zeolite Conference has been published in three volumes, containing 5 plenary lectures and 274 full papers. Part A comprises Synthesis and Characterization (99 papers), Part B Catalysis and Environment (102 papers) and Part C Adsorption and Diffusion, Modifications, Novel Materials and Theory (78 papers). Zeolite science and technology has been and continues to be an area receiving great attention. Increasing interest in the synthesis and the characterization of zeolite and microporous materials is reflected in the large number of contributions. Other areas gaining recognition include novel materials, adsorption, theory and modeling.

Author: P. Misaelides
Publisher: Springer Science & Business Media
ISBN: 9401144990
Category : Science
Languages : en
Pages : 506

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Proceedings of the NATO Advanced Research Workshop on the Application of Natural Microporous Materials for Environmental Technology, Smolenice Castle, Slovakia, 26-30 October 1998

Author: John Meurig Thomas
Publisher: World Scientific Publishing Company
ISBN: 1786341875
Category : Science
Languages : en
Pages : 622

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Book Description
John Meurig Thomas is a former Director of the Royal Institution of Great Britain, a former head of the Department of Physical Chemistry and former Master of Peterhouse, University of Cambridge. A world-renowned solid-state, materials and surface chemist, he has been an educator, researcher, academic administrator, author of university texts, government advisor, industrial consultant and trustee of national museums in a career spanning over 50 years. Recipient of many international awards, including the Linus Pauling, Willard–Gibbs, Kapitza, Natta, Stokes, Davy and Faraday medals, he is also a fellow of the Royal Society (1977), of the American Philosophical Society (1993) and of ten other national academies. He is best known for his fundamental work in heterogeneous catalysis, chemical electron microscopy and in the popularisation of science, for which, in conjunction with his services to chemistry, he was knighted (1991). He is also founding editor of three scientific journals and editor or co-editor of some 30 monographs. A new mineral, meurigite, was named in his honour (1995). Most recently in 2016, Sir John was awarded the Royal Medal for Physical Sciences by the Royal Society. Drawn from over 1200 publications, this volume contains a summarised account of Sir John's work, with a selection of the new techniques pioneered and discovered by him and his colleagues. Also included are popular science articles, and various illustrations of techniques which have enhanced our knowledge of many facets of condensed matter science. Contributions from 80 peers, colleagues, former co-workers, students and friends worldwide who have interacted with or been influenced by him are a tribute to the professional and personal life of Sir John, making this book a unique reflective summary of the work of one of the greatest achievers in modern British physical science.

Author: Abhijit Chatterjee
Publisher: CRC Press
ISBN: 1420082752
Category : Science
Languages : en
Pages : 354

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Nanoporous materials are critical to various fields of research, including ion exchange, separation, catalysis, sensor applications, biological molecular isolation, and purification. In addition, they offer new opportunities in such areas as inclusion chemistry, guest-host synthesis, and molecular manipulations and reactions at the nanoscale. In St