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Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 008047229X
Category : Technology & Engineering
Languages : en
Pages : 303
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Book Description
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: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 008047229X
Category : Technology & Engineering
Languages : en
Pages : 303
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Book Description
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: W. Hölderich
Publisher: Elsevier
ISBN: 0080879934
Category : Technology & Engineering
Languages : en
Pages : 891
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Book Description
These proceedings, comprising 7 plenary lectures, 100 oral and 175 poster presentations, reflect present activities in the field of microporous materials. The International Zeolite Conferences are devoted to all aspects of zeolite science and technology. The term zeolite is to be understood in its broadest sense comprising all kinds of crystalline microporous materials regardless of their composition (e.g. aluminosilicates and other metallosilicates, silica, aluminophosphates, gallophosphates etc.), occurring in nature or synthesized by man. Mesoporous silica, aluminosilicates and other metallosilicates, as recently discovered are also included. Zeolite catalysis continues to be an area of particular interest, not only the classical hydrocarbon conversions but also zeolite catalysis of oxidation reactions, formation of a greater variety of organic compounds and environmental catalysis. Much work has been done on the synthesis of zeolites and zeolite-like materials, which is reflected in the large number of contributions to these proceedings. Improvement of techniques for investigation has stimulated interest in adsorption and diffusion studies. Other areas enjoying increasing attention are modelling, theory, and novel materials.
Author: Ruren Xu
Publisher: John Wiley & Sons
ISBN: 0470822368
Category : Science
Languages : en
Pages : 695
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Book Description
Widely used in adsorption, catalysis and ion exchange, the family of molecular sieves such as zeolites has been greatly extended and many advances have recently been achieved in the field of molecular sieves synthesis and related porous materials. Chemistry of Zeolites and Related Porous Materials focuses on the synthetic and structural chemistry of the major types of molecular sieves. It offers a systematic introduction to and an in-depth discussion of microporous, mesoporous, and macroporous materials and also includes metal-organic frameworks. Provides focused coverage of the key aspects of molecular sieves Features two frontier subjects: molecular engineering and host-guest advanced materials Comprehensively covers both theory and application with particular emphasis on industrial uses This book is essential reading for researches in the chemical and materials industries and research institutions. The book is also indispensable for researches and engineers in R&D (for catalysis) divisions of companies in petroleum refining and the petrochemical and fine chemical industries.
Author: C. Claeys
Publisher: Gulf Professional Publishing
ISBN: 0444518266
Category : Science
Languages : en
Pages : 946
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Book Description
Recent Advances in Science and Technology of Zeolites and Related Materials is a collection of oral and poster communications, presented during the 14th International Zeolite Conference (IZC). The conference was hosted by the Catalysis Society of South Africa. In the tradition of the IZC series, this Conference provides a forum for the presentation of new knowledge in the science and technology of zeolites and related materials. Papers presented cover a wide range of topics that include synthesis, structure determination, characterisation, modelling, and catalysis. This highly visual book is a must for readers looking to stay up-to-date on zeolite science. * This three-part volume provides valuable information on zeolites and related materials* Includes papers that cover topics such as structure determination, modelling and separation processes* Contains new and exciting developments in the field
Author: H. Chon
Publisher: Elsevier
ISBN: 0080539777
Category : Technology & Engineering
Languages : en
Pages : 749
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Book Description
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: Scott M. Auerbach
Publisher: CRC Press
ISBN: 0824756126
Category : Technology & Engineering
Languages : en
Pages : 1526
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Book Description
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: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0470126183
Category : Science
Languages : en
Pages : 560
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Book Description
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. * A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. * ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Author: M Suzuki
Publisher: Elsevier
ISBN: 0080887724
Category : Technology & Engineering
Languages : en
Pages : 819
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Book Description
Fundamentals of Adsorption contains 2 plenary lectures and 96 selected papers from the IVth International Conference, Kyoto, May, 1992. The topics cover a wide range of studies from fundamentals to applications: characterization of porous adsorbents, molecular simulation, adsorption isotherms, diffusion in adsorbents, breakthrough detection, chromatography, pressure swing operation, etc. Model studies on adsorption, surface characterization, microporosimetry, molecular simulations of equilibrium and diffusion, computer simulation of adsorption beds, and many theoretical studies are also included. Special attention is given to: bulk gas separation and purification, solvent recovery, bioproduct separation, environmental pollution control, methane storage, adsorption cooling and resources recovery.
Author: E.G. Derouane
Publisher: Springer Science & Business Media
ISBN: 9401709823
Category : Science
Languages : en
Pages : 482
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Book Description
Light alkanes tend to be resistant to many forms of activation. The horizontal approach of the present book covers homogeneous, heterogeneous and biological catalysis, thus allowing readers to gain an awareness of progress and ideas in research areas different from their own. The book contains both general chapters, giving an overview of the subject, and specialised contributions that deal with the details and state of the art. A specialist report is also included which gives a critical insight into current progress and discusses future prospects and major challenges. Audience: Newcomers and senior researchers in the field of alkane activation. The mixed theoretical and practical approach will be of interest to researchers and industrialists alike.
Author: Kim Jelfs
Publisher: Royal Society of Chemistry
ISBN: 1839163321
Category : Technology & Engineering
Languages : en
Pages : 280
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Book Description
Computer Simulation of Porous Materials covers the key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to either rationalise or predict a range of properties including sorption, diffusion, mechanical, spectroscopic and catalytic. The book covers the full breadth of (micro)porous materials, from inorganic (zeolites), to organic including porous polymers and porous molecular materials, and hybrid materials (metal-organic frameworks). Through chapters focusing on techniques for specific types of applications and properties, the book outlines the challenges and opportunities in applying approaches and methods to different classes of systems, including a discussion of high-throughput screening. There is a strong forward-looking focus, to identify where increased computer power or artificial intelligence techniques such as machine learning have the potential to open up new avenues of research. Edited by a world leader in the field, this title provides a valuable resource for not only computational researchers, but also gives an overview for experimental researchers. It is presented at a level accessible to advanced undergraduates, postgraduates and researchers wishing to learn more about the topic.
