Molecular Simulation Methods For Predicting Polymer Properties
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Molecular Simulation Methods For Predicting Polymer Properties
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Author : Vassilios Galiatsatos
language : en
Publisher: John Wiley & Sons
Release Date : 2005-02-03
Molecular Simulation Methods For Predicting Polymer Properties written by Vassilios Galiatsatos and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-02-03 with Science categories.
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
Multiscale Modelling Of Polymer Properties
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Author : E. Perpète
language : en
Publisher: Elsevier
Release Date : 2006-11-18
Multiscale Modelling Of Polymer Properties written by E. Perpète and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-18 with Technology & Engineering categories.
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
Molecular Simulation And Industrial Applications
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Author : Keith E. Gubbins
language : en
Publisher: Taylor & Francis
Release Date : 1996
Molecular Simulation And Industrial Applications written by Keith E. Gubbins and has been published by Taylor & Francis this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Computers categories.
First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Concepts Of Mathematical Physics In Chemistry A Tribute To Frank E Harris Part A
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Author :
language : en
Publisher: Academic Press
Release Date : 2015-08-06
Concepts Of Mathematical Physics In Chemistry A Tribute To Frank E Harris Part A written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-08-06 with Science categories.
This volume presents a series of articles concerning current important topics in quantum chemistry. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology - Features detailed reviews written by leading international researchers
Statistical Thermodynamics
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Author : John W. Daily
language : en
Publisher: Cambridge University Press
Release Date : 2018-12-20
Statistical Thermodynamics written by John W. Daily and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-20 with Mathematics categories.
Clearly connects macroscopic and microscopic thermodynamics and explains non-equilibrium behavior in kinetic theory and chemical kinetics.
Modeling And Prediction Of Polymer Nanocomposite Properties
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Author : Vikas Mittal
language : en
Publisher: John Wiley & Sons
Release Date : 2012-12-07
Modeling And Prediction Of Polymer Nanocomposite Properties written by Vikas Mittal and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-07 with Technology & Engineering categories.
The book series 'Polymer Nano-, Micro- and Macrocomposites' provides complete and comprehensive information on all important aspects of polymer composite research and development, including, but not limited to synthesis, filler modification, modeling, characterization as well as application and commercialization issues. Each book focuses on a particular topic and gives a balanced in-depth overview of the respective subfi eld of polymer composite science and its relation to industrial applications. With the books the readers obtain dedicated resources with information relevant to their research, thereby helping to save time and money. This book lays the theoretical foundations and emphasizes the close connection between theory and experiment to optimize models and real-life procedures for the various stages of polymer composite development. As such, it covers quantum-mechanical approaches to understand the chemical processes on an atomistic level, molecular mechanics simulations to predict the filler surface dynamics, finite element methods to investigate the macro-mechanical behavior, and thermodynamic models to assess the temperature stability. The whole is rounded off by a look at multiscale models that can simulate properties at various length and time scales in one go - and with predictive accuracy.
Accurate Condensed Phase Quantum Chemistry
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Author : Fred Manby
language : en
Publisher: CRC Press
Release Date : 2010-08-02
Accurate Condensed Phase Quantum Chemistry written by Fred Manby and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-08-02 with Science categories.
The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which allow one to approach very high accuracy, provided t
Simulation Methods For Polymers
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Author : Michael Kotelyanskii
language : en
Publisher: CRC Press
Release Date : 2004-03-01
Simulation Methods For Polymers written by Michael Kotelyanskii and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-03-01 with Technology & Engineering categories.
Prediction Of Polymer Properties
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Author : Jozef Bicerano
language : en
Publisher: CRC Press
Release Date : 2002-08-01
Prediction Of Polymer Properties written by Jozef Bicerano and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-08-01 with Science categories.
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
Applying Molecular And Materials Modeling
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Author : Phillip R. Westmoreland
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Applying Molecular And Materials Modeling written by Phillip R. Westmoreland and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.