Download or read book Computer Modelling of Microporous and Mesoporous Materials written by Charles Richard Arthur Catlow and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Full text engineering e-book.
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 Modeling of Microporous and Mesoporous written by Richard Catlow and published by Academic Press. This book was released on 2002-08 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Modelling and Simulation in the Science of Micro and Meso Porous Materials written by C.Richard A. Catlow and published by Elsevier. This book was released on 2017-09-20 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Handbook of Zeolite Science and Technology written by Scott M. Auerbach and published by CRC Press. This book was released on 2003-07-31 with total page 1526 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Zeolites and Ordered Mesoporous Materials Progress and Prospects written by Jiri Cejka and published by Gulf Professional Publishing. This book was released on 2005-10-03 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
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.
Download or read book Handbook of Surfaces and Interfaces of Materials Five Volume Set written by Hari Singh Nalwa and published by Elsevier. This book was released on 2001-10-26 with total page 1915 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook brings together, under a single cover, all aspects of the chemistry, physics, and engineering of surfaces and interfaces of materials currently studied in academic and industrial research. It covers different experimental and theoretical aspects of surfaces and interfaces, their physical properties, and spectroscopic techniques that have been applied to a wide class of inorganic, organic, polymer, and biological materials. The diversified technological areas of surface science reflect the explosion of scientific information on surfaces and interfaces of materials and their spectroscopic characterization. The large volume of experimental data on chemistry, physics, and engineering aspects of materials surfaces and interfaces remains scattered in so many different periodicals, therefore this handbook compilation is needed.The information presented in this multivolume reference draws on two decades of pioneering research on the surfaces and interfaces of materials to offer a complete perspective on the topic. These five volumes-Surface and Interface Phenomena; Surface Characterization and Properties; Nanostructures, Micelles, and Colloids; Thin Films and Layers; Biointerfaces and Applications-provide multidisciplinary review chapters and summarize the current status of the field covering important scientific and technological developments made over past decades in surfaces and interfaces of materials and spectroscopic techniques with contributions from internationally recognized experts from all over the world. Fully cross-referenced, this book has clear, precise, and wide appeal as an essential reference source long due for the scientific community. The complete reference on the topic of surfaces and interfaces of materialsThe information presented in this multivolume reference draws on two decades of pioneering researchProvides multidisciplinary review chapters and summarizes the current status of the fieldCovers important scientific and technological developments made over past decades in surfaces and interfaces of materials and spectroscopic techniquesContributions from internationally recognized experts from all over the world
Download or read book Computer Simulation of Porous Materials written by Kim Jelfs and published by Royal Society of Chemistry. This book was released on 2021-08-31 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Natural Microporous Materials in Environmental Technology written by P. Misaelides and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Research Workshop on the Application of Natural Microporous Materials for Environmental Technology, Smolenice Castle, Slovakia, 26-30 October 1998
Download or read book The Selected Papers of Sir John Meurig Thomas written by John Meurig Thomas and published by World Scientific Publishing Company. This book was released on 2017-07-07 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Structure Property Correlations for Nanoporous Materials written by Abhijit Chatterjee and published by CRC Press. This book was released on 2010-05-17 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Molecular Sieves From Basic Research to Industrial Applications written by Jiri Cejka and published by Elsevier. This book was released on 2005-08-30 with total page 2190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to their unique porous properties, zeolites (also referred to as molecular sieves) are used in a variety of applications - major uses are in petrochemical cracking, ion-exchange (water softening and purification), and in the separation and removal of gases and solvents. Molecular Sieves: From Basic Research to Industrial Applications, Volume 158 A,B presents over 265 worldwide contributions on the latest developments in zeolitic research. Readers will find this book, which is divided into five sections: Synthesis, Characterization, Adsorption, Catalysis, and Novel applications, ideal for staying up to date on current research on porous materials. * Comprehensive overview of current research on porous materials* Contains experimental as well as theoretical input, reflecting the increasing overlap between theory and experiment* Contributions from the world's leading authorities
Download or read book Materials Discovery and Design written by Turab Lookman and published by Springer. This book was released on 2018-09-22 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the current status, challenges and future directions of data-driven materials discovery and design. It presents the analysis and learning from data as a key theme in many science and cyber related applications. The challenging open questions as well as future directions in the application of data science to materials problems are sketched. Computational and experimental facilities today generate vast amounts of data at an unprecedented rate. The book gives guidance to discover new knowledge that enables materials innovation to address grand challenges in energy, environment and security, the clearer link needed between the data from these facilities and the theory and underlying science. The role of inference and optimization methods in distilling the data and constraining predictions using insights and results from theory is key to achieving the desired goals of real time analysis and feedback. Thus, the importance of this book lies in emphasizing that the full value of knowledge driven discovery using data can only be realized by integrating statistical and information sciences with materials science, which is increasingly dependent on high throughput and large scale computational and experimental data gathering efforts. This is especially the case as we enter a new era of big data in materials science with the planning of future experimental facilities such as the Linac Coherent Light Source at Stanford (LCLS-II), the European X-ray Free Electron Laser (EXFEL) and MaRIE (Matter Radiation in Extremes), the signature concept facility from Los Alamos National Laboratory. These facilities are expected to generate hundreds of terabytes to several petabytes of in situ spatially and temporally resolved data per sample. The questions that then arise include how we can learn from the data to accelerate the processing and analysis of reconstructed microstructure, rapidly map spatially resolved properties from high throughput data, devise diagnostics for pattern detection, and guide experiments towards desired targeted properties. The authors are an interdisciplinary group of leading experts who bring the excitement of the nascent and rapidly emerging field of materials informatics to the reader.
Download or read book Chemistry of Zeolites and Related Porous Materials written by Ruren Xu and published by John Wiley & Sons. This book was released on 2009-05-29 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Molecular Encapsulation written by Udo H. Brinker and published by John Wiley & Sons. This book was released on 2011-07-07 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: The inclusion of small guest molecules within suitable host compounds results in constrained systems that imbue novel properties upon the incarcerated organic substrates. Supramolecular tactics are becoming widely employed and this treatise spotlights them. Often, the impact of encapsulation on product formation is substantial. The use of constrained systems offers the means to steer reactions along desired pathways. A broad overview of various supramolecular approaches aimed to manipulate chemical reactions are featured. The following topics are covered in detail: - general concepts governing the assembly of the substrate with the reaction vessel - preparation of molecular reactors - stabilization of reactive intermediates - reactions in water, in organic solvents, and in the solid state - photochemical reactions - reactions with unusual regioselectivity Molecular Encapsulation: Organic Reactions in Constrained Systems is an essential guide to the art of changing the outcome and the selectivity of a chemical reaction using nano-sized reaction vessels. It will find a place on the bookshelves of students and researchers working in the areas of supramolecular chemistry, nanotechnology, organic and pharmaceutical chemistry, and materials science as well.
Download or read book Functional Nanostructured Materials and Membranes for Water Treatment written by Mikel Duke and published by John Wiley & Sons. This book was released on 2013-03-14 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Membranes have emerged over the last 30 years as a viable water treatment technology. Earth's population is growing and the need for alternative ways to generate potable water is rising. The recent advent of nanotechnology opens the door to improving processes in membrane technology, which is a promising step on the way to solving the earth's potable water problem. Current performance is enhanced and new concepts are possible by engineering on the nanoscale. This book presents key areas of nanotechnology such as fouling tolerant and robust membranes, enhanced destruction of pollutants and faster monitoring of water quality. 'Functional Nanostructured Materials and Membranes for Water Treatment' is part of the series on Materials for Sustainable Energy and Development edited by Prof. G.Q. Max Lu. The series covers advances in materials science and innovation for renewable energy, clean use of fossil energy, and greenhouse gas mitigation and associated environmental technologies.
