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Adsorption through Advanced Nanoscale Materials: Applications in Environmental Remediation brings together the latest developments in the utilization of advanced nanoadsorbents in wastewater treatment, pollution control, removal and remediation, gas separation and other environmental applications. The book begins by providing an overview of absorption, adsorbents and nanoadsorbents, introducing properties, classification, synthesis, characterization, enhancement of adsorption capabilities, principles and advantages and disadvantages of nanoadsorbents. Other sections cover the preparation of advanced nanoadsorbents based on specific materials for wastewater treatment, including adsorbents incorporating carbon nanotubes, graphene and graphene oxide, carbon dots and fullerene, polymer nanocomposites, metal oxides, nanoclay, nanofillers, and filtration membranes. Final sections examine the role of nanoadsorbents in broader environmental applications, including areas such as pollution control and removal and gas separation. Finally, other important considerations are studied, including toxicity and health impact, ecotoxicological effects, commercialization and economic issues, challenges and research gaps, trends, and future opportunities. - Provides in-depth coverage of nanoadsorbents for a range of targeted environmental applications - Covers, in detail, fundamentals such as synthesis methods, characterization and inhibition mechanisms - Addresses key areas such as toxicity, health impact, research gaps, trends and commercialization
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
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.
The development, storage and comprehensive utilization of energy is an important subject concerned by scientists all over the world. Carbon capture and storage technology is one of the most effective mitigation technologies for global climate change, accurate understanding of the migration of multiphase fluids in reservoirs is crucial for reservoir stock evaluation and safety evaluation. Understanding Carbon Geologic Sequestration and Gas Hydrate from Molecular Simulation systematically introduces CO2 geological sequestration and gas hydrate at the molecular-scale, with research including interfacial properties of multiphase, multicomponent systems, hydrogen bonding properties, adsorption characteristics of CO2 / CH4 in the pore, kinetic properties of decomposition/nucleation/growth of gas hydrate, the influence of additives on gas hydrate growth dynamics, and hydrate prevention and control technology. This book focuses on research-based achievements and provides a comprehensive look at global progress in the field. Because there are limited resources available on carbon geologic sequestration technology and gas hydrate technology at the molecular level, the authors wrote this book to fill a gap in scientific literature and prompt further research. - Distills learnings for fundamental and advanced knowledge of molecular simulation in carbon dioxide and gas hydrate storage - Synthesizes knowledge about the development status of CGS technology and hydrate technology in the molecular field – tackling these technologies from a microscopic perspective - Analyzes scientific problems related to CGS technology and hydrate technology based on molecular simulation methods - Explores challenges relative to carbon dioxide and hydrate storage - Provides hierarchical analysis combined with the authors' own research-based case studies for enhanced comprehension and application
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.
"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.
This book is intended to present for the first time experimental methods to measure equilibria states of pure and mixed gases being adsorbed on the surface of solid materials. It has been written for engineers and scientists from industry and academia who are interested in adsorption based gas separation processes and/or in using gas adsorption for characterization of the porosity of solid materials. This book is the result of a fruitful collaboration of a theoretician (JUK) and an experimentalist (RS) over more than twelve years in the field of gas adsorption systems at the Institute of Fluid- and Thermodynamics (IFT) at the University of Siegen, Siegen, Germany. This collaboration resulted in the development of several new methods to measure not only pure gas adsorption, but gas mixture or coadsorption equilibria on inert porous solids. Also several new theoretical results could be achieved leading to new types of so-called adsorption isotherms based on the concepts of molecular association and – phenomenologically speaking – on that of thermodynamic phases of fractal dimension. Naturally, results of international collaboration of the authors over the years (1980-2000) also are included.
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.
Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
Ames Laboratory, Iowa, USA