Simulation of Polymer Motion

Abstract

Presented here is a review of computer simulations for the dynamics of polymeric systems. Even restricting the review to the more recent results, the subject is so large that some omissions are necessary. The review is concerned with the present theoretical understanding of irreversible processes in polymeric systems. Accordingly, I do not discuss the chain dynamics associated with conservative vibrational motions in either crystalline or liquid states. More detailed reviews on the static and dynamic properties of polymers are given in (1-3). Details concerning Monte Carlo simulations of polymers are given in (4). One of the most interesting and unusual features of linear macromole­ cules is their dynamical behavior. Due to its connectivity, the motion of a flexible chain is quite different from the motion of small molecules in ordinary liquids. Two fascinating phenomena result from this property: the internal Brownian motion of an isolated chain related to its elasticity, and the collective motion of many chains governed by the topological restriction on a given chain imposed by many other chains. I discuss the former aspect in the first section of the review, the latter in the following.