BROWNIAN DYNAMICS SIMULATIONS OF LOCAL POLYMER DYNAMICS

TitleBROWNIAN DYNAMICS SIMULATIONS OF LOCAL POLYMER DYNAMICS
Publication TypeJournal Article
Year of Publication1994
AuthorsEdiger, M. D., and D. B. Adolf
JournalAtomistic Modeling of Physical PropertiesAtomistic Modeling of Physical Properties
Volume116
Pagination73-109
Type of ArticleReview
ISBN Number0065-3195
Accession NumberWOS:A1994BB09B00003
KeywordsCONFORMATIONAL TRANSITIONS, CORRELATIONS, DILUTE-SOLUTION, FREELY, MOLECULAR-DYNAMICS, ORIENTATIONAL, RESTRICTIVE ENVIRONMENT, ROTATING BONDS, SEGMENTAL DYNAMICS, STOCHASTIC DIFFERENTIAL-EQUATIONS, TIME-CORRELATION FUNCTIONS, VISCOSITY DEPENDENCE
Abstract

This article describes stochastic computer simulations of the local segmental dynamics of synthetic polymers. Particular attention is given to local dynamics in solution. Related work involving experimental methods, analytical theory, and molecular dynamics simulations will also be discussed. An introduction to the concepts involved in stochastic simulations will be presented. Methods of characterizing local segmental dynamics will also be described. The main portion of the article describes various features of the simulated dynamics. The approximations inherent in stochastic approaches and their influence on the observed dynamics will be discussed. Issues of cooperativity in conformational transitions will be highlighted.