Molecular Simulation Methods for Predicting Polymer Properties PDF Download
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Author: Vassilios Galiatsatos
Publisher: John Wiley & Sons
ISBN: 0471464813
Category : Science
Languages : en
Pages : 325
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Book Description
Among the thousands of synthesized polymers, new polymeric substances and materials with new, often unusual, properties often arise. Consequently, this presents a problem in determining the physical properties of polymers, and thus makes it difficult to ascertain how to synthesize polymers with desired properties. This book discusses what molecular modelling can do to predict the properties of realistic polymer systems. Organized by property, each chapter will address the methods one may use to study the particular system. * Focuses on polymer properties rather than methods, making it more accessible to the average scientist/engineer * All important polymers will be covered, such as amorphous polymers, semicrystalline polymers, elastomers, emulsions, polymer interfaces and surfaces * Chapters contributed by experts in the field * Discusses current commercial software used in molecular simulation
Author: Vassilios Galiatsatos
Publisher: John Wiley & Sons
ISBN: 0471464813
Category : Science
Languages : en
Pages : 325
Get Book
Book Description
Among the thousands of synthesized polymers, new polymeric substances and materials with new, often unusual, properties often arise. Consequently, this presents a problem in determining the physical properties of polymers, and thus makes it difficult to ascertain how to synthesize polymers with desired properties. This book discusses what molecular modelling can do to predict the properties of realistic polymer systems. Organized by property, each chapter will address the methods one may use to study the particular system. * Focuses on polymer properties rather than methods, making it more accessible to the average scientist/engineer * All important polymers will be covered, such as amorphous polymers, semicrystalline polymers, elastomers, emulsions, polymer interfaces and surfaces * Chapters contributed by experts in the field * Discusses current commercial software used in molecular simulation
Author: E. Perpète
Publisher: Elsevier
ISBN: 0080466737
Category : Technology & Engineering
Languages : en
Pages : 425
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Book Description
Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature.Multiscale Modelling of Polymer Properties assembles research done on modeling of polymeric materials from a hierarchical point of view, in which several methods are combined in a multilevel approach to complex polymeric materials. Contributions from academic and industrial experts are organized in two parts: the first one addresses the methodological aspects while the second one focuses on specific applications. The book aims at comprehensively assessing the current state of the field, including the strengths and shortcomings of available modelling techniques, and at identifying future needs and trends. * Several levels of approximation to the field of polymer modelling; ranging from first-principles to purely macroscopic * Contributions from both academic and industrial experts with varying fields of expertise* Assesses current state of this emerging and rapidly growing field
Author: Michael Kotelyanskii
Publisher: CRC Press
ISBN: 0824751310
Category : Technology & Engineering
Languages : en
Pages : 572
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Book Description
Author: Kurt Binder
Publisher: Oxford University Press, USA
ISBN: 0195094387
Category : Language Arts & Disciplines
Languages : en
Pages : 602
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Book Description
Talks about various computer simulation techniques used for macromolecular materials. This book describes how to use simulation to explain experimental data and gain insight into structure and dynamic properties of polymeric structures. Explanations are given on how to overcome challenges posed by large size and slow relaxation polymer coils.
Author: Yukihiro Ozaki
Publisher: John Wiley & Sons
ISBN: 3527348336
Category : Science
Languages : en
Pages : 500
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Book Description
An insightful exploration of cutting-edge spectroscopic techniques in polymer characterization In Spectroscopic Techniques for Polymer Characterization: Methods, Instrumentation, Applications, a team of distinguished chemists delivers a comprehensive exploration of the vast potential of spectroscopic characterization techniques in polymer research. The book offers a concise outline of the principles, advantages, instrumentation, experimental techniques, and noteworthy applications of cutting-edge spectroscopy. Covering a wide range of polymers, from nylon to complex polymeric nanocomposites, the author presents recent developments in polymer science to polymer, analytical, and material chemists, assisting them in keeping track of the progress in modern spectroscopy. Spectroscopic Techniques for Polymer Characterization contains contributions from pioneers in modern spectroscopic techniques from around the world. The included materials bridge the gap between spectroscopists, polymer scientists, and engineers in academia and industry. The book also offers: A thorough introduction to the progress in spectroscopic techniques, including polymer spectroscopy and near-infrared spectroscopy Comprehensive explorations of topical polymers studied by spectroscopy, including polymer thin films, fluoropolymers, polymer solutions, conductive polymers Practical discussions of infrared imaging, near-infrared imaging, two-dimensional correlation spectroscopy, and far-ultraviolet spectroscopy In-depth examinations of spectroscopic studies of weak hydrogen bonding in polymers Spectroscopic Techniques for Polymer Characterization: Methods, Instrumentation, Applications is a must-read reference for polymer, analytical, and physical chemists, as well as materials scientists and spectroscopists seeking a one-stop resource for polymer characterization using spectroscopic analyses.
Author: Purushottam D. Gujrati
Publisher: John Wiley & Sons
ISBN: 9783527630264
Category : Technology & Engineering
Languages : en
Pages : 564
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Book Description
Filling a gap in the literature and all set to become the standard in this field, this monograph begins with a look at computational viscoelastic fluid mechanics and studies of turbulent flows of dilute polymer solutions. It then goes on discuss simulations of nanocomposites, polymerization kinetics, computational approaches for polymers and modeling polyelectrolytes. Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals. The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists.
Author: Elizabeth A. Colbourn
Publisher: Longman Publishing Group
ISBN:
Category : Science
Languages : en
Pages : 360
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Book Description
For chemists, physicists, and students of computer simulation, provides a detailed examination of the complex problems of time and size scaling in molecular modeling and simulation. It includes not only atomistic modeling but also coarse-grained models, which allow longer time scales and therefore larger systems to be studied. Monte Carlo methods are also discussed, and have proven to be particularly powerful tools for examining a range of polymer problems. Assumes a background knowledge of synthetic polymer properties and simulation. Annotation copyright by Book News, Inc., Portland, OR
Author: Jozef Bicerano
Publisher: CRC Press
ISBN: 0203910117
Category : Science
Languages : en
Pages : 735
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Book Description
Highlighting a broad range multiscale modeling and methods for anticipating the morphologies and the properties of interfaces and multiphase materials, this reference covers the methodology of predicting polymer properties and its potential application to a wider variety of polymer types than previously thought possible. A comprehensive source, the
Author: Keith E. Gubbins
Publisher: Taylor & Francis
ISBN: 9789056990053
Category : Molecules
Languages : en
Pages : 568
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Book Description
First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Author: Alexander Kovarski
Publisher: CRC Press
ISBN: 1466563745
Category : Science
Languages : en
Pages : 289
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Book Description
This volume focuses on the dynamical behaviour of low-molecular additives in solid polymer matrixes. It covers: types and models of molecular motion in condensed media; dependence of motional frequency on particle structure and size, temperature, volume and stress; and polymer properties and polymeric structures. Extensive analysis of common regularities of rotational and translational dynamics of molecules introduced into polymers are given. The book also includes experimental techniques for molecular mobility evaluation, and features detailed data on rotational dynamics of additives. It should be of interest to specialists in various fields of polymer physical chemistry and materials science.
