Simulation Methods for Polymers
Author : Michael Kotelyanskii
Publisher : CRC Press
Page : 572 pages
File Size : 48,98 MB
Release : 2004-03-01
Category : Technology & Engineering
ISBN : 0824751310
Monte Carlo and Molecular Dynamics Simulations in Polymer Science
Author : Kurt Binder
Publisher : Oxford University Press
Page : 602 pages
File Size : 13,56 MB
Release : 1995-08-03
Category : Science
ISBN : 0195357469
Book Description
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.
Modeling and Simulation in Polymers
Author : Purushottam D. Gujrati
Publisher : John Wiley & Sons
Page : 564 pages
File Size : 14,74 MB
Release : 2010-03-30
Category : Technology & Engineering
ISBN : 9783527630264
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.
Computer Simulation of Polymeric Materials
Author : Japan Association for Chemical Innovation
Publisher : Springer
Page : 391 pages
File Size : 38,37 MB
Release : 2016-07-30
Category : Science
ISBN : 9811008159
Book Description
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 Simulations of Liquid Crystals and Polymers
Author : Paolo Pasini
Publisher : Springer Science & Business Media
Page : 368 pages
File Size : 46,47 MB
Release : 2005-08-11
Category : Science
ISBN : 1402027605
Book Description
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.
Molecular Simulation Methods for Predicting Polymer Properties
Author : Vassilios Galiatsatos
Publisher : John Wiley & Sons
Page : 325 pages
File Size : 33,92 MB
Release : 2005-02-03
Category : Science
ISBN : 0471464813
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
Spectroscopic Techniques for Polymer Characterization
Author : Yukihiro Ozaki
Publisher : John Wiley & Sons
Page : 500 pages
File Size : 48,21 MB
Release : 2021-10-29
Category : Science
ISBN : 3527830324
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.
Rheology in Polymer Processing
Author : Krzysztof Wilczyński
Publisher :
Page : 392 pages
File Size : 20,17 MB
Release : 2021-01-05
Category :
ISBN : 9781569906606
Book Description
"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.
Stochastic Processes in Polymeric Fluids
Author : Hans C. Öttinger
Publisher : Springer Science & Business Media
Page : 384 pages
File Size : 33,86 MB
Release : 2012-12-06
Category : Technology & Engineering
ISBN : 3642582907
Book Description
This book consists of two strongly interweaved parts: the mathematical theory of stochastic processes and its applications to molecular theories of polymeric fluids. The comprehensive mathematical background provided in the first section will be equally useful in many other branches of engineering and the natural sciences. The second part provides readers with a more direct understanding of polymer dynamics, allowing them to identify exactly solvable models more easily, and to develop efficient computer simulation algorithms in a straightforward manner. In view of the examples and applications to problems taken from the front line of science, this volume may be used both as a basic textbook or as a reference book. Program examples written in FORTRAN are available via ftp from ftp.springer.de/pub/chemistry/polysim/.
Fluorinated Polymers
Author : Bruno Ameduri
Publisher : Royal Society of Chemistry
Page : 417 pages
File Size : 24,37 MB
Release : 2016-10-25
Category : Science
ISBN : 1782626719
Book Description
Fluoropolymers display a wide range of remarkable properties and are used in a number of applications including high performance elastomers, thermoplastics, coatings for optical fibers, and hydrophobic and lipophobic surfaces. Fluorinated Polymers: Synthesis, Properties, Processing and Simulation covers the fundamentals of different fluorinated polymers. Topics include the kinetics of homopolymerisation and copolymerization, process chemistry, and controlled radical co-polymerisation techniques. Written by internationally recognized academic and industrial contributors, the book will be of interest to those in industry and academia working in the fields of materials science, polymer chemistry and energy applications of polymers. Together with Fluorinated Polymers: Applications, these books provide a complete overview of different fluorinated polymer materials and their uses.
