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Diffusion in Nanoporous Materials, 2 Volumes
  • Language: en
  • Pages: 932

Diffusion in Nanoporous Materials, 2 Volumes

Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well-known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. Specific topics include: new families of nanoporous materials, micro-imaging and single-particle tracking, direct monitoring of transient profiles by interference microscopy, single-file diffusion and new approaches to molecular modeling.

Simulation Methods for Polymers
  • Language: en
  • Pages: 572

Simulation Methods for Polymers

  • Type: Book
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  • Published: 2004-03-01
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  • Publisher: CRC Press

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Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics
  • Language: en
  • Pages: 881

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics

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.

Bridging the Time Scales
  • Language: en
  • Pages: 498

Bridging the Time Scales

The behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally be described using standard molecular dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade. Written as a set of tutorial reviews, the book will be of use to specialists and nonspecialists alike.

Handbook of Materials Modeling
  • Language: en
  • Pages: 2903

Handbook of Materials Modeling

The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by a...

Zeolite Science 1994: Recent Progress and Discussions
  • Language: en
  • Pages: 538

Zeolite Science 1994: Recent Progress and Discussions

  • Type: Book
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  • Published: 1995-10-13
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  • Publisher: Elsevier

This book is a supplementary volume to J. Weitkamp et al. (Editors), Zeolites and Related Microporous Materials: State of the Art 1994 - Proceedings of the 10th International Zeolite Conference, Garmisch-Partenkirchen, Germany, July 17-22, 1994. The larger part of this supplementary volume contains full texts of the Recent Research Reports, which were presented as posters, and the discussions of all the lectures and posters. One full paper is included, because one page was missing in the version published in the Proceedings. A complete list of participants is also included.

Materials Science of Membranes for Gas and Vapor Separation
  • Language: en
  • Pages: 466

Materials Science of Membranes for Gas and Vapor Separation

Materials Science of Membranes for Gas and Vapor Separation is a one-stop reference for the latest advances in membrane-based separation and technology. Put together by an international team of contributors and academia, the book focuses on the advances in both theoretical and experimental materials science and engineering, as well as progress in membrane technology. Special attention is given to comparing polymer and inorganic/organic separation and other emerging applications such as sensors. This book aims to give a balanced treatment of the subject area, allowing the reader an excellent overall perspective of new theoretical results that can be applied to advanced materials, as well as the separation of polymers. The contributions will provide a compact source of relevant and timely information and will be of interest to government, industrial and academic polymer chemists, chemical engineers and materials scientists, as well as an ideal introduction to students.

Progress in Zeolite and Microporous Materials
  • Language: en
  • Pages: 749

Progress in Zeolite and Microporous Materials

  • Type: Book
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  • Published: 1996-12-04
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  • Publisher: Elsevier

The proceedings of the 11th Zeolite Conference has been published in three volumes, containing 5 plenary lectures and 274 full papers. Part A comprises Synthesis and Characterization (99 papers), Part B Catalysis and Environment (102 papers) and Part C Adsorption and Diffusion, Modifications, Novel Materials and Theory (78 papers). Zeolite science and technology has been and continues to be an area receiving great attention. Increasing interest in the synthesis and the characterization of zeolite and microporous materials is reflected in the large number of contributions. Other areas gaining recognition include novel materials, adsorption, theory and modeling.

Thin film MOFs (SURMOFs) for application in gas separation
  • Language: en
  • Pages: 180

Thin film MOFs (SURMOFs) for application in gas separation

In this work, the deposition of ZIF-8 surface-anchored metal-organic framework (SURMOF) films was systematically studied. A proper characterization and optimization of the synthesized films was performed and their separation performance was determined. Furthermore, a general description of the system was achieved using the Maxwell-Stefan surface diffusion model.

Models for Polymeric and Anisotropic Liquids
  • Language: en
  • Pages: 256

Models for Polymeric and Anisotropic Liquids

Models should be as simple as possible, but no simpler. For the physics of polymeric liquids, whose relevant lengths and time scales are out of reach for first principles calculations, this means that we have to choose a minimum set of sufficiently detailed descriptors such as architecture (linear, ring, branched), connectivity, semiflexibility, stretchability, excluded volume, and hydrodynamic interaction. These 'universal' fluids allow the prediction of material properties under external flow- or electrodynamic fields, the results being expressed in terms of reference units, specific for any particular chosen material. This book provides an introduction to the kinetic theory and computer simulation methods needed to handle these models and to interpret the results. Also included are a number of sample applications and computer codes.