Computer Modelling Of Microporous Materials

Download or read book Computer Modelling of Microporous Materials written by C.Richard A. Catlow and published by Elsevier. This book was released on 2004-04-30 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Computer Simulation of Porous Materials written by Kim E. Jelfs and published by Royal Society of Chemistry. This book was released on 2021-09-08 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to rationalise or predict a range of properties.

Download or read book Computational Materials Science written by Eugene Kotomin and published by IOS Press. This book was released on 2003 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Microporous Framework Solids written by Paul A Wright and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of microporous solids in solid state chemistry has seen a huge expansion over the last decades with new developments in a diverse range of directions and applications. Drawing upon nature as an inspiration, scientists are continually extending known families and preparing porous solids with novel structures. In turn, the novel properties that these possess stimulate further research and applications. Microporous Framework Solids describes fundamental principles and experimental practices of the synthetic chemistry and physical characterisation of crystalline microporous solids. It also provides a clear and up to date discussion of different types of microporous materials, their applications and emerging areas of current interest, written from a personal research perspective. Topics include the different types of solids and their properties with key emphasis placed on the relationship between properties and structure. Structural methods are also discussed including the role of diffraction, NMR and computational studies. Finally, applications for catalysis are reviewed. This book is ideal for new researchers in the field of microporous solids both in academia and industry who require a detailed and informative overview of the subject. It provides a comprehensive review of microporous materials in an easily accessible style offering a valuable source of references over a wide range of topics.

Download or read book Recent Advances in Gas Separation by Microporous Ceramic Membranes written by N.K. Kanellopoulos and published by Elsevier. This book was released on 2000-09-26 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is dedicated to the rapidly growing field of microporous ceramic membranes with separating layers of pore diameter less than 2nm. The chapters of this book bring forward a wide range of issues, namely fundamentals of complex sorption and transport processes in micropore structures, highly innovative methods of preparation of microporous membranes and examples of their possible commercial applications. This book presents insights by distinguished investigators, who have contributed significantly to the advance of research efforts in the diverse topics described herein. Recently, significant progress has been made with respect to the development of novel microporous asymmetric membranes, mainly involving modification by means of deposition of additional material within the pores of the substrates. Most state-of-the-art technologies aiming in the development of microporous ceramic membrane are presented in the third section of the book. These include several material deposition methods and techniques on macroporous or mesoporous supports and substrates from the liquid or vapour phase, namely those involving sol-gel, zeolite and chemical vapour deposition techniques. In addition to the above-mentioned methods, the classical technique of carbonizing polymeric deposits along with one of the novel techniques of plasma-treating, organically deposited Langmuir-Blodgett films, are also presented. Nanophase mixed ionic-electron membranes for enhanced oxygen transport are described, which pose a strong candidacy for a number of significant commercial applications.

Download or read book Introduction to Zeolite Molecular Sieves written by Jiri Cejka and published by Elsevier. This book was released on 2007-10-02 with total page 1095 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Zeolite Molecular Sieves, 3rd Edition presents a collection of the most important results and ideas in the field of molecular sieve chemistry and technology, the most important experimental techniques related to the research activities in molecular sieves, and identifies new areas of molecular sieve chemistry. Chapters start at a reasonably simple entry level, but also covers the present state-of-the-art in the field. Topics covered include structure, synthesis, characterization, ion exchange, adsorption, diffusion, separations, and natural zeolites.* 6 years since the last edtion this book brings together the rapid development within the field of molecular sieve chemistry and applications * Accessible to newcomers to the field, also containing valuable information for experienced researchers * 27 chapters written by renowned scientists in their field, including updates on some 2nd edition chapters

Download or read book Progress in Zeolite and Microporous Materials written by H. Chon and published by Elsevier. This book was released on 1996-12-04 with total page 749 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.