Topological Analysis of Linear Polymer Melts

Abstract

We introduce an algorithm for the reduction of computer generated atomistic polymer samples to networks of primitive paths. By examining network ensembles of Polyethylene and cis-1,4 Polybutadiene melts, we quantify the underlying topologies through the radial distribution function of entanglements and the distribution of the number of monomers between entanglements. A suitable scaling of acquired data leads to a unifying microscopic topological description of both melts.

4 pages 3 figures. Work presented at '5th International Discussion Meeting on Relaxations in Complex Systems (5IDMRCS)', Lille, France, July 7-13, 2005, and at 'Modeling and simulation of entangled polymeric liquids', CECAM, Lyon, France, July 18-21, 2005