Atomistic Modeling of Physical Properties

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With contributions by: R.H. Boyd; B.G. Sumpter, D.W. Noid, G.L. Liang, B. Wunderlich; M.D. Ediger, D.B. Adolf; R.-J. Roe; I. Bahar, B. Erman, L. Monnerie; A.A. Gusev, F. Müller-Plathe, W.F. van Gunsteren, U.W. Suter; L.R. Dodd, D.N. Theodorou; E. Leontidis, J.J. de Pablo, M. Laso, U.W. Suter; K.S. Schweizer.

Author(s): R. H. Boyd (auth.), Prof. Dr. Lucien Monnerie, Prof. Dr. U. W. Suter (eds.)
Series: Advances in Polymer Science 116
Edition: 1
Publisher: Springer-Verlag Berlin Heidelberg
Year: 1994

Language: English
Commentary: +OCR
Pages: 389
City: Berlin; New York
Tags: Polymer Sciences; Condensed Matter; Characterization and Evaluation of Materials; Physical Chemistry

Prediction of polymer crystal structures and properties....Pages 1-25
Atomistic dynamics of macromolecular crystals....Pages 27-72
Brownian dynamics simulations of local polymer dynamics....Pages 73-109
MD simulation study of glass transition and short time dynamics in polymer liquids....Pages 111-144
Effect of molecular structure on local chain dynamics: Analytical approaches and computational methods....Pages 145-206
Dynamics of small molecules in bulk polymers....Pages 207-247
Atomistic Monte Carlo simulation and continuum mean field theory of the structure and equation of state properties of alkane and polymer melts....Pages 249-281
A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases....Pages 283-318
PRISM theory of the structure, thermodynamics, and phase transitions of polymer liquids and alloys....Pages 319-377