Title | BROWNIAN DYNAMICS SIMULATIONS OF LOCAL POLYMER DYNAMICS |
Publication Type | Journal Article |
Year of Publication | 1994 |
Authors | Ediger, M. D., and D. B. Adolf |
Journal | Atomistic Modeling of Physical PropertiesAtomistic Modeling of Physical Properties |
Volume | 116 |
Pagination | 73-109 |
Type of Article | Review |
ISBN Number | 0065-3195 |
Accession Number | WOS:A1994BB09B00003 |
Keywords | CONFORMATIONAL 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. |