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Computing Adsorption Diffusion And Separation Of Noble Gas Mixtures In Mofs Using Molecular Simulations And Theoretical Correlations
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Book Synopsis Computer Simulation of Porous Materials by : Kim E. Jelfs
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.
Book Synopsis Gas Separation by Adsorption Processes by : Ralph T. Yang
Download or read book Gas Separation by Adsorption Processes written by Ralph T. Yang and published by Butterworth-Heinemann. This book was released on 2013-10-22 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gas Separation by Adsorption Processes provides a thorough discussion of the advancement in gas adsorption process. The book is comprised of eight chapters that emphasize the fundamentals concept and principles. The text first covers the adsorbents and adsorption isotherms, and then proceeds to detailing the equilibrium adsorption of gas mixtures. Next, the book covers rate processes in adsorbers and adsorber dynamics. The next chapter discusses cyclic gas separation processes, and the remaining two chapters cover pressure-swing adsorption. The book will be of great use to students, researchers, and practitioners of disciplines that involve gas separation processes, such as chemical engineering.
Book Synopsis Adsorption and Diffusion by : Hellmut G. Karge
Download or read book Adsorption and Diffusion written by Hellmut G. Karge and published by Springer Science & Business Media. This book was released on 2008-06-17 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.
Book Synopsis Adsorption and Phase Behaviour in Nanochannels and Nanotubes by : Lawrence J. Dunne
Download or read book Adsorption and Phase Behaviour in Nanochannels and Nanotubes written by Lawrence J. Dunne and published by Springer Science & Business Media. This book was released on 2009-09-24 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: Channels of nanotubular dimensions exist in a variety of materials (examples are carbon nanotubes and the nanotubular channels of zeolites and zeotypes) and show promise for numerous applications due to their unique properties. One of their most important properties is their capacity to adsorb molecules and these may exist in a variety of phases. "Adsorption and Phase Behaviour in Nanochannels and Nanotubes" provides an excellent review of recent and current work on adsorption on nanometerials. It is an impressive collection of papers dealing with the adsorption and phase behaviour in nanoporous materials from both experimental and theoretical perspectives. "Adsorption and Phase Behaviour in Nanochannels and Nanotubes" focuses on carbon nanotubes as well as zeolites and related materials.
Book Synopsis Understanding Molecular Simulation by : Daan Frenkel
Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Book Synopsis Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics by : Bruce J Berne
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Book Synopsis Membrane Gas Separation by : Benny Freeman
Download or read book Membrane Gas Separation written by Benny Freeman and published by John Wiley & Sons. This book was released on 2011-06-20 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gas separation membranes offer a number of benefits over other separation technologies, and they play an increasingly important role in reducing the environmental impacts and costs of many industrial processes. This book describes recent and emerging results in membrane gas separation, including highlights of nanoscience and technology, novel polymeric and inorganic membrane materials, new membrane approaches to solve environmental problems e.g. greenhouse gases, aspects of membrane engineering, and recent achievements in industrial gas separation. It includes: Hyperbranched polyimides, amorphous glassy polymers and perfluorinated copolymers Nanocomposite (mixed matrix) membranes Polymeric magnetic membranes Sequestration of CO2 to reduce global warming Industrial applications of gas separation Developed from sessions of the most recent International Congress on Membranes and Membrane Processes, Membrane Gas Separation gives a snapshot of the current situation, and presents both fundamental results and applied achievements.
Book Synopsis Metal-Organic Framework Materials by : Leonard R. MacGillivray
Download or read book Metal-Organic Framework Materials written by Leonard R. MacGillivray and published by John Wiley & Sons. This book was released on 2014-09-19 with total page 1210 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal-Organic Frameworks (MOFs) are crystalline compounds consisting of rigid organic molecules held together and organized by metal ions or clusters. Special interests in these materials arise from the fact that many are highly porous and can be used for storage of small molecules, for example H2 or CO2. Consequently, the materials are ideal candidates for a wide range of applications including gas storage, separation technologies and catalysis. Potential applications include the storage of hydrogen for fuel-cell cars, and the removal and storage of carbon dioxide in sustainable technical processes. MOFs offer the inorganic chemist and materials scientist a wide range of new synthetic possibilities and open the doors to new and exciting basic research. Metal-Organic Frameworks Materials provides a solid basis for the understanding of MOFs and insights into new inorganic materials structures and properties. The volume also reflects progress that has been made in recent years, presenting a wide range of new applications including state-of-the art developments in the promising technology for alternative fuels. The comprehensive volume investigates structures, symmetry, supramolecular chemistry, surface engineering, recognition, properties, and reactions. The content from this book will be added online to the Encyclopedia of Inorganic and Bioinorganic Chemistry: http://www.wileyonlinelibrary.com/ref/eibc
Book Synopsis Materials for Carbon Capture by : De-en Jiang
Download or read book Materials for Carbon Capture written by De-en Jiang and published by John Wiley & Sons. This book was released on 2020-02-25 with total page 397 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers a wide range of advanced materials and technologies for CO2 capture As a frontier research area, carbon capture has been a major driving force behind many materials technologies. This book highlights the current state-of-the-art in materials for carbon capture, providing a comprehensive understanding of separations ranging from solid sorbents to liquid sorbents and membranes. Filled with diverse and unconventional topics throughout, it seeks to inspire students, as well as experts, to go beyond the novel materials highlighted and develop new materials with enhanced separations properties. Edited by leading authorities in the field, Materials for Carbon Capture offers in-depth chapters covering: CO2 Capture and Separation of Metal-Organic Frameworks; Porous Carbon Materials: Designed Synthesis and CO2 Capture; Porous Aromatic Frameworks for Carbon Dioxide Capture; and Virtual Screening of Materials for Carbon Capture. Other chapters look at Ultrathin Membranes for Gas Separation; Polymeric Membranes; Carbon Membranes for CO2 Separation; and Composite Materials for Carbon Captures. The book finishes with sections on Poly(amidoamine) Dendrimers for Carbon Capture and Ionic Liquids for Chemisorption of CO2 and Ionic Liquid-Based Membranes. A comprehensive overview and survey of the present status of materials and technologies for carbon capture Covers materials synthesis, gas separations, membrane fabrication, and CO2 removal to highlight recent progress in the materials and chemistry aspects of carbon capture Allows the reader to better understand the challenges and opportunities in carbon capture Edited by leading experts working on materials and membranes for carbon separation and capture Materials for Carbon Capture is an excellent book for advanced students of chemistry, materials science, chemical and energy engineering, and early career scientists who are interested in carbon capture. It will also be of great benefit to researchers in academia, national labs, research institutes, and industry working in the field of gas separations and carbon capture.
Book Synopsis Advanced CO2 Capture Technologies by : Shin-ichi Nakao
Download or read book Advanced CO2 Capture Technologies written by Shin-ichi Nakao and published by Springer. This book was released on 2019-05-07 with total page 90 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarises the advanced CO2 capture technologies that can be used to reduce greenhouse gas emissions, especially those from large-scale sources, such as power-generation and steel-making plants. Focusing on the fundamental chemistry and chemical processes, as well as advanced technologies, including absorption and adsorption, it also discusses other aspects of the major CO2 capture methods: membrane separation; the basic chemistry and process for CO2 capture; the development of materials and processes; and practical applications, based on the authors’ R&D experience. This book serves as a valuable reference resource for researchers, teachers and students interested in CO2 problems, providing essential information on how to capture CO2 from various types of gases efficiently. It is also of interest to practitioners and academics, as it discusses the performance of the latest technologies applied in large-scale emission sources.
Book Synopsis Membranes For Gas Separations by : Moises A Carreon
Download or read book Membranes For Gas Separations written by Moises A Carreon and published by World Scientific. This book was released on 2017-08-11 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims at illustrating several examples of different membrane compositions ranging from inorganic, polymeric, metallic, metal organic framework, and composite which have been successfully deployed to separate industrially relevant gas mixtures including hydrogen, nitrogen, methane, carbon dioxide, olefins/parafins among others. Each book chapter highlights some of the current and key fundamental and technological challenges for these membranes that must be overcome in order to envision its application at industrial level.
Book Synopsis Gas Adsorption in Metal-Organic Frameworks by : T. Grant Glover
Download or read book Gas Adsorption in Metal-Organic Frameworks written by T. Grant Glover and published by CRC Press. This book was released on 2018-09-03 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text discusses the synthesis, characterization, and application of metal-organic frameworks (MOFs) for the purpose of adsorbing gases. It provides details on the fundamentals of thermodynamics, mass transfer, and diffusion that are commonly required when evaluating MOF materials for gas separation and storage applications and includes a discussion of molecular simulation tools needed to examine gas adsorption in MOFs. Additionally, the work presents techniques that can be used to characterize MOFs after gas adsorption has occurred and provides guidance on the water stability of these materials. Lastly, applications of MOFs are considered with a discussion of how to measure the gas storage capacity of MOFs, a discussion of how to screen MOFs to for filtration applications, and a discussion of the use of MOFs to perform industrial separations, such as olefin/paraffin separations. Throughout the work, fundamental information, such as a discussion on the calculation of MOF surface area and description of adsorption phenomena in packed-beds, is balanced with a discussion of the results from research literature.
Book Synopsis Modified Clay and Zeolite Nanocomposite Materials by : Mariano Mercurio
Download or read book Modified Clay and Zeolite Nanocomposite Materials written by Mariano Mercurio and published by Elsevier. This book was released on 2018-11-29 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modified Clay and Zeolite Nanocomposite Materials: Environmental and Pharmaceutical Applications retraces the most important knowledge gaps that the scientific community is facing, including a drawback of real-world applications. This valuable resource explores the novel applications of this group of nanomaterials that can be suitably surface-modified to obtain properties that can be applied in environmental and pharmaceutical fields. For example, modification with surfactants has given new motivation to the study of these materials by producing an inversion in the ion exchange behavior from cationic to anionic. This strategy has paved the way for new uses highlighted in this timely resource. - Explores the combination of both minerals (clay and zeolite) together, with their application in two broad areas of emerging research - Explains better utilization and applications for modified clay and zeolite through detailed comparative studies - Consolidates information on the modification and tuning of clay and zeolite materials for novelty applications - Helps users in the selection of materials, surface features, and other functionalization for diverse applications
Book Synopsis Carbon Dioxide Capture and Conversion by : Sonil Nanda
Download or read book Carbon Dioxide Capture and Conversion written by Sonil Nanda and published by Elsevier. This book was released on 2022-07-28 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon Dioxide Capture and Conversion: Advanced Materials and Process provides information about the fundamental principles and recent development of various methods and processes for CO2 mitigation and transformation. Beginning with a brief overview of recent advancements in CO2 capture and valorization technologies, the book elaborates on CO2 capture and conversion by covering nanoporous materials, biomaterials, innovative solvents, advanced membrane technology, nanocatalyst synthesis and design, cutting-edge characterization techniques as well as reaction mechanisms and kinetics. In addition to techno-economic evaluation and life-cycle assessment for CO2 capture and conversion processes, future perspectives, opportunities and current challenges regarding these processes in terms of their industrial applications, are systematically discussed. Carbon Dioxide Capture and Conversion: Advanced Materials and Process is, therefore, an essential resource for academic researchers, postgraduates, scientists, and engineers seeking fundamental knowledge and practical applications for use in their research and development, studies and industrial operations. - Includes recent developments in nanomaterials and advanced processes implemented for CO2 capture and conversion - Contains state-of-the-art CO2 capture and conversion technology written by leading experts - Offers advanced techniques of nanomaterials synthesis, characterization, evaluation, and industrial implementation in a wide range of CO2 capture and conversion processes
Book Synopsis Energy Efficient Solvents for CO2 Capture by Gas-Liquid Absorption by : Wojciech M. Budzianowski
Download or read book Energy Efficient Solvents for CO2 Capture by Gas-Liquid Absorption written by Wojciech M. Budzianowski and published by Springer. This book was released on 2016-12-01 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews and characterises promising single-compound solvents, solvent blends and advanced solvent systems suitable for CO2 capture applications using gas-liquid absorption. Focusing on energy efficient solvents with minimal adverse environmental impact, the contributions included analyse the major technological advantages, as well as research and development challenges of promising solvents and solvent systems in various sustainable CO2 capture applications. It provides a valuable source of information for undergraduate and postgraduate students, as well as for chemical engineers and energy specialists.
Book Synopsis Industrial Catalysis and Separations by : K. V. Raghavan
Download or read book Industrial Catalysis and Separations written by K. V. Raghavan and published by CRC Press. This book was released on 2014-07-01 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: With contributions from experts from both the industry and academia, this book presents the latest developments in the identified areas. In addition, a thorough and updated coverage of the traditional aspects of heterogeneous catalysis such as preparation, characterization and use in well-established technologies such as nitration, ammoxidation and hydrofluorination is included. This book incorporates appropriate case studies, explanatory notes, and schematics for more clarity and better understanding.
Book Synopsis Modelling and Simulation in the Science of Micro- and Meso-Porous Materials by : C.Richard A. Catlow
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