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Author : Alexander van Heukelum
Publisher :
ISBN 13 : 9789039335741
Total Pages : 96 pages
Book Rating : 4.3/5 (357 download)
Download or read book Simulation of Polymer Dynamics in Gels and Melts written by Alexander van Heukelum and published by . This book was released on 2003 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Kurt Binder
Publisher : Oxford University Press
ISBN 13 : 0195357469
Total Pages : 602 pages
Book Rating : 4.1/5 (953 download)
Download or read book Monte Carlo and Molecular Dynamics Simulations in Polymer Science written by Kurt Binder and published by Oxford University Press. This book was released on 1995-08-03 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Michael T. Waroblak
Publisher :
ISBN 13 :
Total Pages : 108 pages
Book Rating : 4.:/5 (31 download)
Download or read book Nonequilibrium Molecular Dynamics Simulations of Polymer Melts written by Michael T. Waroblak and published by . This book was released on 1993 with total page 108 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Kurt Binder
Publisher : Oxford University Press, USA
ISBN 13 : 0195094387
Total Pages : 602 pages
Book Rating : 4.1/5 (95 download)
Download or read book Monte Carlo and Molecular Dynamics Simulations in Polymer Science written by Kurt Binder and published by Oxford University Press, USA. This book was released on 1995 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Julie Ann McCormick
Publisher :
ISBN 13 :
Total Pages : 241 pages
Book Rating : 4.:/5 (59 download)
Download or read book Simulations of the Dynamics of Entangled Polymer Melts written by Julie Ann McCormick and published by . This book was released on 2002 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt: Keywords: entanglement, polymer, tube model, molecular dynamics simulation, hard chain model, reptation.
Author : Stefan Descher
Publisher : BoD – Books on Demand
ISBN 13 : 3737608776
Total Pages : 162 pages
Book Rating : 4.7/5 (376 download)
Download or read book Modeling and Simulation of Crystallization Processes in Polymer Melt Flows written by Stefan Descher and published by BoD – Books on Demand. This book was released on 2020-01-01 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: Describing crystallization processes in polymer melt flows involves many effects. Objective of this work is to capture a selection in a simulation environment, for a certain material, starting from executing experiments on. This means aspects of experimental investigations, modeling and special numerical methods used to create a simulation environment will be highlighted. Because this involves many fields, works covering all aspects are rare1. It is intended to contribute such a work by the publication of this thesis.
Author : Elizabeth A. Colbourn
Publisher : Longman Publishing Group
ISBN 13 :
Total Pages : 360 pages
Book Rating : 4.3/5 (91 download)
Download or read book Computer Simulation of Polymers written by Elizabeth A. Colbourn and published by Longman Publishing Group. This book was released on 1994 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 :
Publisher : Springer
ISBN 13 : 3540451412
Total Pages : 237 pages
Book Rating : 4.5/5 (44 download)
Download or read book Molecular Simulation Fracture Gel Theory written by and published by Springer. This book was released on 2003-07-03 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Manolis Doxastakis
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (129 download)
Download or read book Segmental Dynamics in Polymer Melts and Blends written by Manolis Doxastakis and published by . This book was released on 2000 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Oleksandr Chulkin
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (955 download)
Download or read book Microscopic Dynamics of Polymer Melts written by Oleksandr Chulkin and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Petri Nikunen
Publisher :
ISBN 13 :
Total Pages : 6 pages
Book Rating : 4.:/5 (5 download)
Download or read book Reptational Dynamics in Dissipative Particle Dynamics Simulations of Polymer Melts written by Petri Nikunen and published by . This book was released on 2005 with total page 6 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Vassilios Galiatsatos
Publisher : John Wiley & Sons
ISBN 13 : 0471464813
Total Pages : 325 pages
Book Rating : 4.4/5 (714 download)
Download or read book Molecular Simulation Methods for Predicting Polymer Properties written by Vassilios Galiatsatos and published by John Wiley & Sons. This book was released on 2005-02-03 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Nicholas A. Rorrer
Publisher :
ISBN 13 :
Total Pages : 175 pages
Book Rating : 4.:/5 (932 download)
Download or read book Efficient Simulation of Polymer Melt Viscoelasticity by Dynamic Monte Carlo Simulation written by Nicholas A. Rorrer and published by . This book was released on 2015 with total page 175 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Neil Moe
Publisher :
ISBN 13 :
Total Pages : 544 pages
Book Rating : 4.:/5 (89 download)
Download or read book A Study of Local Polymer Dynamics Using Computer Simulations and NMR Experiments written by Neil Moe and published by . This book was released on 1997 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Simulations of the Dynamics of Entangled Polymer Melts written by and published by . This book was released on 2002 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The objective of this thesis is to increase our understanding of the basic physical principles governing the dynamics of entangled polymer melts. Discontinuous molecular dynamics simulations are performed on systems containing 32 hard chains of length 192 at three volume fractions, 0.40, 0.45, and 0.50, to investigate their dynamic properties. The mean squared displacement of the chain center of mass, the mean squared displacements of the inner, outer, and intermediate segments along the chain, the end-to-end vector autocorrelation function, and the apparent self-diffusion coefficient are calculated over the course of the simulations. First, we study the relaxation and release of entanglements and compare with that predicted by the tube model and that associated with the release of interchain entanglements, or knots. The initial relaxation of chain segments occurs from the ends toward the middle as the tube model predicts. However, different methods for predicting the longest relaxation time provide inconsistent results. An analysis of the mean squared displacement behavior of chain segments at various positions along the chain suggests that the final relaxation is occurring at the chain ends, inconsistent with the tube model but compatible with the release of interchain entanglements or knots. A combined analysis of the end-to-end vector autocorrelation function, the outer segment mean squared displacement, and the apparent diffusion coefficient suggests that knot release behavior is occurring in the systems. The results provide support for a proposed mechanism of interchain entanglement relaxation consisting of initial relaxation, followed by memory and final release from a chain end; however, the uncertainty is large at these long times. Next, we investigate the effect of position along the chain on the segmental mean squared displacement. The mean squared displacements of various sized blocks of segments at different positions along the chain are calculated. An.
Author : S. F. Edwards
Publisher :
ISBN 13 :
Total Pages : 19 pages
Book Rating : 4.:/5 (228 download)
Download or read book Dynamics of Polymers in Solution and Melts written by S. F. Edwards and published by . This book was released on 1983 with total page 19 pages. Available in PDF, EPUB and Kindle. Book excerpt: Simple models of polymer dynamics are available in dilute solution, moderate concentrations and melts, since it is possible to make models of the motion in these cases. A series of power laws result which fit well with computer simulation. It is more difficult to derive these models directly from sensible equations of motion, but progress in this direction is reported in the paper. (Author).
Author : Li-Tang Yan
Publisher : John Wiley & Sons
ISBN 13 : 3527350985
Total Pages : 325 pages
Book Rating : 4.5/5 (273 download)
Download or read book Dynamics and Transport in Macromolecular Networks written by Li-Tang Yan and published by John Wiley & Sons. This book was released on 2024-04-08 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive knowledge on concepts and experimental advancement, as well as state-of-the-art computational tools and techniques for simulation and theory Dynamics and Transport in Macromolecular Networks: Theory, Modeling, and Experiments provides a unique introduction to the currently emerging, highly interdisciplinary field of those transport processes that exhibit various dynamic patterns and even anomalous behaviors of dynamics, investigating concepts and experimental advancement, as well as state-of-the-art computational tools and techniques for the simulation of macromolecular networks and the transport behavior in them. The detailed text begins with discussions on the structural organization of various macromolecular networks, then moves on to review and consolidate the latest research advances and state-of-the-art tools and techniques for the experimental and theoretical studies of the transport in macromolecular networks. In so doing, the text extracts and emphasizes common principles and research advancement from many different disciplines while providing up-to-date coverage of this new field of research. Written by highly experienced and internationally renowned specialists in various disciplines, such as polymer, soft matter, chemistry, biophysics, and more, Dynamics and Transport in Macromolecular Networks covers sample topics such as: Modeling (visco)elasticity macromolecular and biomacromolecular networks, covering statistical and elastic models and permanent biomacromolecular networks Focus on controlled degradation in modeling reactive hydrogels, covering mesoscale modeling of reactive polymer networks and modeling crosslinking due to hydrosilylation reaction Dynamic bonds in associating polymer networks, covering segmental and chain dynamics and phase-separated aggregate dynamics Direct observation of polymer reptation in entangled solutions and junction fluctuations in crosslinked networks, covering tube width fluctuations and dynamic fluctuations of crosslinks A much-needed overview of developments and scientific findings in the transport behaviors in macromolecular networks, Dynamics and Transport in Macromolecular Networks is a highly valuable resource for chemists, physicists, and other scientists and engineers working in fields related to macromolecular network systems, both theoretically and experimentally.
