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Topological Analysis of Linear Polymer Melts

Christos Tzoumanekas·Doros N. Theodorou
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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.

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Christos Tzoumanekas, Doros N. Theodorou. 2006-02-23. Topological Analysis of Linear Polymer Melts. https://arxiv.org/abs/cond-mat/0602555

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