Download or read book Computer Simulation of Liquids written by M. P. Allen and published by Oxford University Press. This book was released on 1989 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.
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.
Download or read book Encyclopedia of Surface and Colloid Science written by P. Somasundaran and published by CRC Press. This book was released on 2006 with total page 1148 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fundamentals of Adsorption written by M Suzuki and published by Elsevier. This book was released on 1993-12-23 with total page 819 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fundamentals of Adsorption contains 2 plenary lectures and 96 selected papers from the IVth International Conference, Kyoto, May, 1992. The topics cover a wide range of studies from fundamentals to applications: characterization of porous adsorbents, molecular simulation, adsorption isotherms, diffusion in adsorbents, breakthrough detection, chromatography, pressure swing operation, etc. Model studies on adsorption, surface characterization, microporosimetry, molecular simulations of equilibrium and diffusion, computer simulation of adsorption beds, and many theoretical studies are also included. Special attention is given to: bulk gas separation and purification, solvent recovery, bioproduct separation, environmental pollution control, methane storage, adsorption cooling and resources recovery.
Download or read book Adsorption and Transport at the Nanoscale written by Nick Quirke and published by CRC Press. This book was released on 2005-12-15 with total page 198 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoporous materials are used widely in industry as adsorbents, particularly for applications where selective adsorption of one fluid component from a mixture is important. Nanoscale structures are of increasing interest for micro- and nanofluidic devices. Computational methods have an important role to play in characterizing, understanding, and de
Download or read book Adsorption written by Jozsef Toth and published by CRC Press. This book was released on 2002-05-10 with total page 887 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text offers an overview of the recent theoretical and practical results achieved in gas-solid, liquid-solid and gas-liquid adsorption research.
Download or read book A Airports written by British Library and published by Walter de Gruyter. This book was released on 2012-05-21 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Adsorption by Carbons written by Eduardo J. Bottani and published by Elsevier. This book was released on 2011-10-10 with total page 773 pages. Available in PDF, EPUB and Kindle. Book excerpt: Adsorption by Carbons covers the most significant aspects of adsorption by carbons, attempting to fill the existing gap between the fields of adsorption and carbonaceous materials. Both basic and applied aspects are presented. The first section of the book introduces physical adsorption and carbonaceous materials, and is followed by a section concerning the fundamentals of adsorption by carbons. This leads to development of a series of theoretical concepts that serve as an introduction to the following section in which adsorption is mainly envisaged as a tool to characterize the porous texture and surface chemistry of carbons. Particular attention is paid to some novel nanocarbons, and the electrochemistry of adsorption by carbons is also addressed. Finally, several important technological applications of gas and liquid adsorption by carbons in areas such as environmental protection and energy storage constitute the last section of the book. - The first book to address the interplay between carbonaceous materials and adsorption - Includes important environmental applications, such as the removal of volatile organic compounds from polluted atmospheres - Covers both gas-solid and liquid-solid adsorption
Download or read book Nanoporous Materials Science And Engineering written by G Q Max Lu and published by World Scientific. This book was released on 2004-11-22 with total page 911 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
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.
Download or read book Advances in Chemical Physics Volume 121 written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2003-10-17 with total page 551 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 121 contains the latest research on polymer melts at solid surfaces, infrared lineshapes of weak hydrogen bonds, ab initio quantum molecular dynamics, and many other subjects.
Download or read book Fundamentals of Interface and Colloid Science written by J. Lyklema and published by Elsevier. This book was released on 1995-10-17 with total page 787 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interface and colloid science is an important, though often under-valued, branch of science. It has applications and ramifications in domains as disparate as agriculture, mineral dressing, oil recovery, chemical industry, biotechnology, medical science, and many more. Proper application of interface and colloid science requires factual knowledge and insight into the many basic laws of physics and chemistry upon which it is based. Fundamentals of Interface and Colloid Science is the first book to cover this field in the depth neccessary to be a valuable reference and an excellent textbook.From the beginning to the end of the book, systems of growing complexity are treated gradually. The presentation is particularly suited to emphasize that interfaces are not autonomous phases. As a rule, interfacial properties can be varied only by changing the adjoining phases, so that the properties of these bulk phases must be understood first. The text also recognizes common principles behind a variety of phenomena, and helps the reader to understand them and to develop and improve processes. The systematic treatment of the material in the book makes this clear, and makes the text itself an important contribution to the field. - Systematic treatment of information - An excellent addition to volume I - Two chapters contributed by other experts in the field - Uses a deductive approach to increase the order of complexity - Written by a leading expert in the field - Two chapters contributed by other outstanding scientists - Uses a systematic and deductive approach - First comprehensive review of the topic
Download or read book Graphene Simulation written by Jian Ru Gong and published by BoD – Books on Demand. This book was released on 2011-08-01 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graphene, a conceptually new class of materials in condensed-matter physics, has been the interest of many theoretical studies due to the extraordinary thermal, mechanical and electrical properties for a long time. This book is a collection of the recent theoretical work on graphene from many experts, and will help readers to have a thorough and deep understanding in this fast developing field.
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Download or read book Applications of Molecular Simulation in the Oil and Gas Industry written by Philippe Ungerer and published by Editions TECHNIP. This book was released on 2005 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular simulation is an emerging technology for determining the properties of many systems that are of interest to the oil and gas industry, and more generally to the chemical industry. Based on a universally accepted theoretical background, molecular simulation accounts for the precise structure of molecules in evaluating their interactions. Taking advantage of the availability of powerful computers at moderate cost, molecular simulation is now providing reliable predictions in many cases where classical methods (such as equations of state or group contribution methods) have limited prediction capabilities. This is particularly useful for designing processes involving toxic components, extreme pressure conditions, or adsorption selectivity in microporous adsorbents. Molecular simulation moreover provides a detailed understanding of system behaviour. As illustrated by their award from the American Institute of Chemical Engineers for the best overall performance at the Fluid Simulation Challenge 2004, the authors are recognized experts in Monte Carlo simulation techniques, which they use to address equilibrium properties. This book presents these techniques in sufficient detail for readers to understand how simulation works, and describes many applications for industrially relevant problems. The book is primarily dedicated to chemical engineers who are not yet conversant with molecular simulation techniques. In addition, specialists in molecular simulation will be interested in the large scope of applications presented (including fluid properties, fluid phase equilibria, adsorption in zeolites, etc.).Contents: 1. Introduction. 2. Basics of Molecular Simulation. 3. Fluid Phase Equilibria and Fluid Properties. 4. Adsorption. 5. Conclusion and Perspectives. Appendix
Download or read book Molecular Simulation and Industrial Applications written by Keith E. Gubbins and published by Taylor & Francis. This book was released on 1996 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Download or read book Biopolymers at Interfaces Second Edition written by Martin Malmsten and published by CRC Press. This book was released on 2003-01-15 with total page 930 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new edition features research from nearly 60 of the profession's most distinguished international authorities. Recognizing emerging developments in biopolymer systems research with fully updated and expanded chapters, the second edition discusses the biopolymer-based multilayer structures and their application in biosensors, the progress made in the understanding of protein behaviour at the air-water interface, experimental findings in ellipsometry and reflectometry, and recent developments concerning protein interfacial behaviour in microfabricated total analysis systems and microarrays. With over 3000 references, this is an essential reference for professionals and students in surface, pharmaceutical, colloid, polymer, and medicinal chemistry; chemical, formulation, and application engineering; and pharmacy.
