Computer Modelling of Microporous and Mesoporous Materials

Computer Modelling of Microporous and Mesoporous Materials PDF Author: Charles Richard Arthur Catlow
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Book Description
Full text engineering e-book.

Computer Modelling of Microporous and Mesoporous Materials

Computer Modelling of Microporous and Mesoporous Materials PDF Author: Charles Richard Arthur Catlow
Publisher:
ISBN:
Category :
Languages : en
Pages :

Get Book Here

Book Description
Full text engineering e-book.

Computer Modelling of Microporous Materials

Computer Modelling of Microporous Materials PDF 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

Computer Modeling of Microporous and Mesoporous

Computer Modeling of Microporous and Mesoporous PDF Author: Richard Catlow
Publisher: Academic Press
ISBN: 9780121641368
Category :
Languages : en
Pages : 320

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Book Description


Modelling and Simulation in the Science of Micro- and Meso-Porous Materials

Modelling and Simulation in the Science of Micro- and Meso-Porous Materials PDF Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 0128050586
Category : Technology & Engineering
Languages : en
Pages : 372

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Book Description
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

Handbook of Zeolite Science and Technology

Handbook of Zeolite Science and Technology PDF 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.

Zeolites and Ordered Mesoporous Materials: Progress and Prospects

Zeolites and Ordered Mesoporous Materials: Progress and Prospects PDF Author: Jiri Cejka
Publisher: Gulf Professional Publishing
ISBN: 9780444520661
Category : Science
Languages : en
Pages : 404

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Book Description
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

Progress in Zeolite and Microporous Materials

Progress in Zeolite and Microporous Materials PDF 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.

Handbook of Surfaces and Interfaces of Materials, Five-Volume Set

Handbook of Surfaces and Interfaces of Materials, Five-Volume Set PDF Author: Hari Singh Nalwa
Publisher: Elsevier
ISBN: 0080533825
Category : Technology & Engineering
Languages : en
Pages : 1915

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Book Description
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

Computer Simulation of Porous Materials

Computer Simulation of Porous Materials PDF 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.

Natural Microporous Materials in Environmental Technology

Natural Microporous Materials in Environmental Technology PDF Author: P. Misaelides
Publisher: Springer Science & Business Media
ISBN: 9401144990
Category : Science
Languages : en
Pages : 506

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