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

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

Author: C.Richard A. Catlow

Publisher: Elsevier

Published: 2017-09-20

Total Pages: 372

ISBN-13: 0128050586

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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


Chemistry of Zeolites and Related Porous Materials

Chemistry of Zeolites and Related Porous Materials

Author: Ruren Xu

Publisher: John Wiley & Sons

Published: 2009-05-29

Total Pages: 695

ISBN-13: 0470822368

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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.


Ordered Porous Solids

Ordered Porous Solids

Author: Valentin Valtchev

Publisher: Elsevier

Published: 2011-08-11

Total Pages: 813

ISBN-13: 0080932452

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The developments in the area of ordered nanoporous solids have moved beyond the traditional catalytic and separation uses and given rise to a wide variety of new applications in different branches of chemistry, physics, material science, etc. The activity in this area is due to the outstanding properties of nanoporous materials that have attracted the attention of researchers from different communities. However, recent achievements in a specific field often remain out of the focus of collaborating communities. This work summarizes the latest developments and prospects in the area of ordered porous solids, including synthetic layered materials (clays), microporous zeolite-type materials, ordered mesoporous solids, metal-organic-framework compounds (MOFs), carbon, etc. All aspects, from synthesis via comprehensive characterization to the advanced applications of ordered porous materials, are presented. The chapters are written by leading experts in their respective fields with an emphasis on recent progress and the state of the art. - Summarizes the latest developments in the field of ordered nanoporous solids - Presents state-of-the-art coverage of applications related to porous solids - Incorporates 28 contributions from experts across the disciplines


Computer Modelling of Microporous Materials

Computer Modelling of Microporous Materials

Author: C.Richard A. Catlow

Publisher: Elsevier

Published: 2004-04-30

Total Pages: 303

ISBN-13: 008047229X

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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


Advances in Microporous and Mesoporous Materials

Advances in Microporous and Mesoporous Materials

Author: Rafael Huirache Acuña

Publisher: BoD – Books on Demand

Published: 2020-07-15

Total Pages: 126

ISBN-13: 1838807551

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Nowadays, microporous and mesoporous materials are versatile solids of great interest due to their structures and pore sizes, which allow their application in many areas. Accordingly, with IUPAC, materials with pore sizes smaller than 2 nm are called microporous and with pore sizes between 2 and 50 nm are called mesoporous. The pore size has an important impact on the material properties and affects their applications. In addition, high surface area, and their ability to incorporate functional groups on the framework are of great relevance for commercial and science applications. This book intends to provide readers with a comprehensive overview of recent improvements in the microporous and mesoporous materials field.


Advances in Nanoporous Materials

Advances in Nanoporous Materials

Author:

Publisher: Elsevier

Published: 2009-10-16

Total Pages: 336

ISBN-13: 008093241X

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Advances in Nanoporous Materials is a collection of comprehensive reviews of lasting value to the field. The contributions cover all aspects of nanoporous materials, including their preparation and structure, post-synthetic modification, characterization and use in catalysis, adsorption/separation, and all other fields of potential application, e.g., membranes, host/guest chemistry, environmental protection, electrochemistry, sensors, and optical devices. "Nanoporous materials" comprise all kinds of porous solids that possess pores in the range from about 0.2 nm up to 50 nm, irrespective of their chemical composition, their origin (natural or synthetic), and their amorphous or crystalline nature. Typical examples are zeolites and zeolite-like materials (e.g., crystalline microporous aluminophosphates and their derivatives), mesoporous oxides such as silica, metal organic frameworks, pillared clays, porous carbons, and related materials. - State-of-the-art reviews keep coverage current - Broad scope provides a full topical overview - Contributions from renowned experts lend authority to the material


Advanced Functional Porous Materials

Advanced Functional Porous Materials

Author: Arya Uthaman

Publisher: Springer Nature

Published: 2021-11-13

Total Pages: 690

ISBN-13: 3030853977

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This book presents synthesis, characterization, and applications of macroporous, mesoporous, nanoporous, hierarchical porous, porous metals, and porous ceramics. Special emphasis is given to the preparation of porous activated carbon materials and porous ionic liquid-derived materials for CO2 emissions mitigation. Additionally, a chapter includes the physical and mathematical modeling in porous media. Many analytical techniques for characterization are discussed in this book. Also, the biomedical and industrial applications of porous materials in adsorption, catalysis, biosensors, drug delivery, nanotechnology are described. The content helps solving fundamental and applied problems in porous materials with length scales varying from macro- to nano-level.


Advanced Zeolite Science and Applications

Advanced Zeolite Science and Applications

Author: Michael Stöcker

Publisher: Elsevier

Published: 1994-07-19

Total Pages: 715

ISBN-13: 0080886957

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Zeolites and related microporous materials are used in oil processing and in the fine and petrochemical industries on a large scale. New applications of zeolites contribute to environmentally friendly processes and refined zeolites such as catalytic zeolite membranes and zeolites containing exhaust-pipe reactors are being introduced. Recent diversity in zeolite research has been fueled by the increase in number of microporous materials and the combination with interfacing science areas. The possibility to accommodate ions, large molecules or nanostructures in the crystalline matrix has been explored and the performance of electronic, acoustic and photonic modified response of the materials has been tested.This volume provides up-to-date information on new zeolite and related materials and composites, their applications, testing of new processes and techniques, and promising laboratory results as well. A vast amount of work from a fundamental aspect is incorporated. In particular, the combination of science and application offers useful information for readers interested in molecular sieves.


Nanoporous Materials: Science And Engineering

Nanoporous Materials: Science And Engineering

Author: G Q Max Lu

Publisher: World Scientific

Published: 2004-11-22

Total Pages: 911

ISBN-13: 178326179X

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Porous materials are of scientific and technological importance because of the presence of voids of controllable dimensions at the atomic, molecular, and nanometer scales, enabling them to discriminate and interact with molecules and clusters. Interestingly the big deal about this class of materials is about the “nothingness” within — the pore space. International Union of Pure and Applied Chemistry (IUPAC) classifies porous materials into three categories — micropores of less than 2 nm in diameter, mesopores between 2 and 50 nm, and macropores of greater than 50 nm. In this book, nanoporous materials are defined as those porous materials with pore diameters less than 100 nm.Over the last decade, there has been an ever increasing interest and research effort in the synthesis, characterization, functionalization, molecular modeling and design of nanoporous materials. The main challenges in research include the fundamental understanding of structure-property relations and tailor-design of nanostructures for specific properties and applications. Research efforts in this field have been driven by the rapid growing emerging applications such as biosensor, drug delivery, gas separation, energy storage and fuel cell technology, nanocatalysis and photonics. These applications offer exciting new opportunities for scientists to develop new strategies and techniques for the synthesis and applications of these materials.This book provides a series of systematic reviews of the recent developments in nanoporous materials. It covers the following topics: (1) synthesis, processing, characterization and property evaluation; (2) functionalization by physical and/or chemical treatments; (3) experimental and computational studies on fundamental properties, such as catalytic effects, transport and adsorption, molecular sieving and biosorption; (4) applications, including photonic devices, catalysis, environmental pollution control, biological molecules separation and isolation, sensors, membranes, hydrogen and energy storage, etc./a