Computer Simulation Of Polymeric Materials
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Computer Simulation Of Polymeric Materials
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Author : Japan Association for Chemical Innovation
language : en
Publisher: Springer
Release Date : 2016-08-09
Computer Simulation Of Polymeric Materials written by Japan Association for Chemical Innovation and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-08-09 with Science categories.
This book is the first to introduce a mesoscale polymer simulation system called OCTA. With its name derived from "Open Computational Tool for Advanced material technology," OCTA is a unique software product, available without charge, that was developed in a project funded by Japanese government. OCTA contains a series of simulation programs focused on mesoscale simulation of the soft matter COGNAC, SUSHI, PASTA, NAPLES, MUFFIN, and KAPSEL. When mesoscale polymer simulation is performed, one may encounter many difficulties that this book will help to overcome. The book not only introduces the theoretical background and functions of each simulation engine, it also provides many examples of the practical applications of the OCTA system. Those examples include predicting mechanical properties of plastic and rubber, morphology formation of polymer blends and composites, the micelle structure of surfactants, and optical properties of polymer films. This volume is strongly recommended as a valuable resource for both academic and industrial researchers who work in polymer simulation.
Computer Simulation Of Polymeric Materials
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Author : Japan Association for Chemical Innovation
language : en
Publisher: Springer
Release Date : 2016-07-30
Computer Simulation Of Polymeric Materials written by Japan Association for Chemical Innovation and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-07-30 with Science categories.
This book is the first to introduce a mesoscale polymer simulation system called OCTA. With its name derived from "Open Computational Tool for Advanced material technology," OCTA is a unique software product, available without charge, that was developed in a project funded by Japanese government. OCTA contains a series of simulation programs focused on mesoscale simulation of the soft matter COGNAC, SUSHI, PASTA, NAPLES, MUFFIN, and KAPSEL. When mesoscale polymer simulation is performed, one may encounter many difficulties that this book will help to overcome. The book not only introduces the theoretical background and functions of each simulation engine, it also provides many examples of the practical applications of the OCTA system. Those examples include predicting mechanical properties of plastic and rubber, morphology formation of polymer blends and composites, the micelle structure of surfactants, and optical properties of polymer films. This volume is strongly recommended as a valuable resource for both academic and industrial researchers who work in polymer simulation.
Monte Carlo And Molecular Dynamics Simulations In Polymer Science
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Author : Kurt Binder
language : en
Publisher: Oxford University Press
Release Date : 1995-08-03
Monte Carlo And Molecular Dynamics Simulations In Polymer Science written by Kurt Binder and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-08-03 with Science categories.
Written by leading experts from around the world, Monte Carlo and Molecular Dynamics Simulations in Polymer Science comprehensively reviews the latest simulation techniques for macromolecular materials. Focusing in particular on numerous new techniques, the book offers authoritative introductions to solutions of neutral polymers and polyelectrolytes; dynamics of polymer melts, rubbers and gels, and glassy materials; thermodynamics of polymer mixing and mesophase formation, and polymers confined at interfaces and grafted to walls. Throughout, contributors offer practical advice on how to overcome the unique challenges posed by the large size and slow relaxation of polymer coils. Students and researchers in polymer chemistry, polymer physics, chemical engineering, and materials and computational science will all benefit from the cogent, step-by-step introductions contained in this important new book.
Computer Simulation In Chemical Physics
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Author : M.P. Allen
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Computer Simulation In Chemical Physics written by M.P. Allen 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 2012-12-06 with Science categories.
Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software. All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings.
Computer Simulations Of Liquid Crystals And Polymers
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Author : Paolo Pasini
language : en
Publisher: Springer Science & Business Media
Release Date : 2005-02-15
Computer Simulations Of Liquid Crystals And Polymers written by Paolo Pasini 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 2005-02-15 with Science categories.
Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas.
Rheology In Polymer Processing
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Author : Krzysztof Wilczyński
language : en
Publisher:
Release Date : 2021-01-05
Rheology In Polymer Processing written by Krzysztof Wilczyński and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-01-05 with categories.
"Rheology in Polymer Processing" introduces the fundamentals of rheology and rheometry as the basis for modeling and computer-aided design in plastics processing. The logically structured content enables the reader to intelligently use the tools of computer-aided design and modeling of plastics processing, with correct interpretation of the results. The book presents difficult and complex issues of rheology and modeling in an accessible way, with particular emphasis on the practical engineering aspects. The software described in the book allows modeling all the important problems of plastics processing. Particular attention is paid to the extrusion process, which is fundamentally important as a processing technology in mass manufacture of plastic parts, and the basis of compounding processes (blending, filling, granulation, and reinforcement). This book is aimed equally at engineers, researchers, and scientists, as well as intermediate students, for whom it will serve as an ideal course book.
Simulation Methods For Polymers
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Author : Michael Kotelyanskii
language : en
Publisher: CRC Press
Release Date : 2004-03-15
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 2004-03-15 with Science categories.
Synthetic Lubricants and High-Performance Functional Fluids, Second Edition offers state-of-the-art information on all the major synthetic fluids, describing established products as well as highly promising experimental fluids with commercial potential. This second edition contains chapters on polyinternalolefins, polymer esters, refrigeration lubes, polyphenyl ethers, highly refined mineral oils, automotive gear oils and industrial gear oils. The book also assesses automotive, industrial, aerospace, environmental, and commercial trends in Europe, Asia, South America, and the US.
Computational Modeling Of Polymers
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Author : Jozef Bicerano
language : en
Publisher: CRC Press
Release Date : 1992-03-17
Computational Modeling Of Polymers 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 1992-03-17 with Technology & Engineering categories.
Modeling And Simulation In Polymers
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Author : Purushottam D. Gujrati
language : en
Publisher: John Wiley & Sons
Release Date : 2010-03-30
Modeling And Simulation In Polymers written by Purushottam D. Gujrati 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 2010-03-30 with Technology & Engineering categories.
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.
Thermal Analysis Of Polymeric Materials
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Author : Bernhard Wunderlich
language : en
Publisher: Springer Science & Business Media
Release Date : 2005-12-06
Thermal Analysis Of Polymeric Materials written by Bernhard Wunderlich 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 2005-12-06 with Technology & Engineering categories.
Thermal analysis is an old technique. It has been neglected to some degree because developments of convenient methods of measurement have been slow and teaching of the understanding of the basics of thermal analysis is often wanting. Flexible, linear macromolecules, also not as accurately simply called polymers, make up the final, third, class of molecules which only was identified in 1920. Polymers have neverbeenfullyintegratedintothedisciplinesofscienceandengineering. Thisbook is designed to teach thermal analysis and the understanding of all materials, flexible macromolecules, as well as those of the small molecules and rigid macromolecules. The macroscopic tool of inquiry is thermal analysis, and the results are linked to microscopic molecular structure and motion. Measurements of heat and mass are the two roots of quantitative science. The macroscopic heat is connected to the microscopic atomic motion, while the macroscopic mass is linked to the microscopic atomic structure. The macroscopic unitsofmeasurementofheatandmassarethejouleandthegram,chosentobeeasily discernable by the human senses. The microscopic units of motion and structure are 12 10 the picosecond (10 seconds) and the ångstrom (10 meters), chosen to fit the atomic scales. One notes a factor of 10,000 between the two atomic units when expressed in “human” units, second and gram—with one gram being equal to one cubic centimeter when considering water. Perhaps this is the reason for the much better understanding and greater interest in the structure of materials, being closer to human experience when compared to molecular motion.