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Simulation Methods for Polymers

Simulation Methods for Polymers
Author: Michael Kotelyanskii
Publisher: CRC Press
Total Pages: 900
Release: 2004-03-15
Genre: Science
ISBN: 0203021258

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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 lube


Modeling and Simulation in Polymers

Modeling and Simulation in Polymers
Author: Purushottam D. Gujrati
Publisher: John Wiley & Sons
Total Pages: 564
Release: 2010-03-30
Genre: Technology & Engineering
ISBN: 9783527630264

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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.


Molecular Simulation Methods for Predicting Polymer Properties

Molecular Simulation Methods for Predicting Polymer Properties
Author: Vassilios Galiatsatos
Publisher: John Wiley & Sons
Total Pages: 325
Release: 2005-02-03
Genre: Science
ISBN: 0471464813

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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


Simulation Methods for Polymers

Simulation Methods for Polymers
Author: Michael Kotelyanskii
Publisher: CRC Press
Total Pages: 572
Release: 2004-03-01
Genre: Technology & Engineering
ISBN: 0824751310

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Computer Simulation of Polymers

Computer Simulation of Polymers
Author: Elizabeth A. Colbourn
Publisher: Longman Publishing Group
Total Pages: 360
Release: 1994
Genre: Science
ISBN:

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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


Monte Carlo and Molecular Dynamics Simulations in Polymer Science

Monte Carlo and Molecular Dynamics Simulations in Polymer Science
Author: Kurt Binder
Publisher: Oxford University Press, USA
Total Pages: 602
Release: 1995
Genre: Language Arts & Disciplines
ISBN: 0195094387

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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.


Stochastic Processes in Polymeric Fluids

Stochastic Processes in Polymeric Fluids
Author: Hans C. Öttinger
Publisher: Springer Science & Business Media
Total Pages: 384
Release: 2012-12-06
Genre: Technology & Engineering
ISBN: 3642582907

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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/.


Modeling and Simulation in Polymer Reaction Engineering

Modeling and Simulation in Polymer Reaction Engineering
Author: Klaus-Dieter Hungenberg
Publisher: John Wiley & Sons
Total Pages: 302
Release: 2018-05-29
Genre: Technology & Engineering
ISBN: 3527338187

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Introducing a unique, modular approach to modeling polymerization reactions, this useful book will enable practitioners - chemists and engineers alike - to set up and structure their own models for simulation software like Predici®, C++, MatLab® or others. The generic modules are exemplified for concrete situations for various reactor types and reaction mechanisms and allow readers to quickly find their own point of interest - a highly useful information source for polymer engineers and researchers in industry and academia.