Atomistic Modeling of Physical Properties

1. Auflage 1994
ISBN: 978-3-540-57827-7
Verlag: Springer-Verlag GmbH

Buch, Englisch, Band 116, 389 Seiten, Book, Format (B × H): 155 mm x 235 mm, Gewicht: 765 g

Reihe: Advances in Polymer Science

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.

Zielgruppe

Research

Autoren/Hrsg.

Monnerie, Lucien

Suter, U. W.

Weitere Mitwirkende

Adolf, D.B.

Bahar, I.

Boyd, R.H.

Curro, J.G.

Pablo, J.J. de

Dodd, L.R.

Ediger, M.D.

Erman, B.

Gusev, A.A.

Laso, M.

Leontidis, E.

Liang, G.L.

Monnerie, Lucien

Müller-Plathe, F.

Noid, D.W.

Roe, R.-J.

Schweizer, K.S.

Sumpter, B.G.

Suter, U.W.

Theodorou, D.N.

Gunsteren, W.F.van

Wunderlich, B.

Inhaltsverzeichnis

Prediction of polymer crystal structures and properties.- Atomistic dynamics of macromolecular crystals.- Brownian dynamics simulations of local polymer dynamics.- MD simulation study of glass transition and short time dynamics in polymer liquids.- Effect of molecular structure on local chain dynamics: Analytical approaches and computational methods.- Dynamics of small molecules in bulk polymers.- Atomistic Monte Carlo simulation and continuum mean field theory of the structure and equation of state properties of alkane and polymer melts.- A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases.- PRISM theory of the structure, thermodynamics, and phase transitions of polymer liquids and alloys.