Computer Simulation of Liquids PDF Download
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Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 9780198556459
Category : Computers
Languages : en
Pages : 412
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Book Description
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.
Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 9780198556459
Category : Computers
Languages : en
Pages : 412
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Book Description
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.
Author: Lawrence J. Dunne
Publisher: Springer Science & Business Media
ISBN: 9048124816
Category : Technology & Engineering
Languages : en
Pages : 301
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Book Description
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.
Author: P. Somasundaran
Publisher: CRC Press
ISBN: 9780849396045
Category : Science
Languages : en
Pages : 1148
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Book Description
Author: M Suzuki
Publisher: Elsevier
ISBN: 0080887724
Category : Technology & Engineering
Languages : en
Pages : 819
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Book Description
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.
Author: Nick Quirke
Publisher: CRC Press
ISBN: 1420023357
Category : Science
Languages : en
Pages : 198
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Book Description
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
Author: Jozsef Toth
Publisher: CRC Press
ISBN: 0824744497
Category : Science
Languages : en
Pages : 887
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Book Description
This text offers an overview of the recent theoretical and practical results achieved in gas-solid, liquid-solid and gas-liquid adsorption research.
Author: British Library
Publisher: Walter de Gruyter
ISBN: 3111725944
Category : Reference
Languages : en
Pages : 528
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Book Description
Author: Eduardo J. Bottani
Publisher: Elsevier
ISBN: 0080559425
Category : Technology & Engineering
Languages : en
Pages : 773
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Book Description
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
Author: G Q Max Lu
Publisher: World Scientific
ISBN: 178326179X
Category : Technology & Engineering
Languages : en
Pages : 911
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Book Description
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
Author: Ilya Prigogine
Publisher: John Wiley & Sons
ISBN: 0471619671
Category : Science
Languages : en
Pages : 551
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Book Description
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.
