BROWNIAN DYNAMICS SIMULATIONS OF LOCAL POLYMER DYNAMICS

被引：32

作者：

EDIGER, MD

ADOLF, DB

机构：

来源：

ATOMISTIC MODELING OF PHYSICAL PROPERTIES | 1994年 / 116卷

关键词：

D O I：

10.1007/BFb0080197

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

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.

引用

页码：73 / 109

页数：37

共 98 条

[91] COMPARISON OF LANGEVIN AND MOLECULAR-DYNAMICS SIMULATIONS - EQUILIBRIUM AND DYNAMICS OF ETHYLENE-GLYCOL IN WATER [J].