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Individual Entanglements in a Simulated Polymer Melt

E. Ben-Naim·G. S. Grest·T. A. Witten·A. R. C. Baljon
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Abstract

We examine entanglements using monomer contacts between pairs of chains in a Brownian-dynamics simulation of a polymer melt. A map of contact positions with respect to the contacting monomer numbers (i,j) shows clustering in small regions of (i,j) which persists in time, as expected for entanglements. Using the ``space''-time correlation function of the aforementioned contacts, we show that a pair of entangled chains exhibits a qualitatively different behavior than a pair of distant chains when brought together. Quantitatively, about 50% of the contacts between entangled chains are persistent contacts not present in independently moving chains. In addition, we account for several observed scaling properties of the contact correlation function.

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E. Ben-Naim, G. S. Grest, T. A. Witten, A. R. C. Baljon. 1995-09-12. Individual Entanglements in a Simulated Polymer Melt. https://doi.org/10.1103/physreve.53.1816

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