Monte Carlo and Molecular Dynamics Simulations in Polymer Science

by Kurt Binder

Overview

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.

Product Details

ISBN-13:	9780195094381
Publisher:	Oxford University Press
Publication date:	08/03/1995
Series:	Topics in Polymer Science Ser.
Pages:	608
Product dimensions:	6.14(w) x 9.21(h) x 1.31(d)

About the Author

Johannes Gutenberg-Universitat Mainz

Table of Contents

1. Introduction: General Aspects of Computer Simulation Techniques and Their Applications, K. Binder2. Monte Carlo Methods for the Self-Avoiding Walk, A.D. Sokal3. Structure and Dynamics of Neutral and Charged Polymer Solutions4. Entanglement Effects in Dense Polymers, K. Kremer and M. Stevens5. Molecular Dynamics Simulations of Glassy Polymers, J.H.R. Clarke6. Monte Carlo Simulations of the Glass Transition of Polymers, J. Baschnagel and W. Paul7. Monte Carlo Studies of Polymer Blends and Block Copolymer Thermodynamics, K. Binder8. Simulation Studies of Polymers Confined by Solid Surfaces, D.Y. Yoon and G.D. Smith9. Computer Simulations of Tethered Chains, G.S. Grest

Editorial Reviews

"This treatise provides a valuable perspective on theory, methodology, and selected applications of computer simulation to polymer physics and contains a unique collection of articles that will be of interest to those exploring the macroscopic behavior of macromolecules with atomistic models. The reader of this book will find it filled to the brim with timely current theory and valuable methodological details."—Journal of the American Chemical Society

"This text provides the reader with important and concrete computational approaches to study complex polymer systems and is an important addition to the library of researchers in polymer physics."—American Scientist

From the Publisher