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arXiv · 1701.01866

Simulation of Entangled Polymer Solutions

Airidas Korolkovas·Philipp Gutfreund·Jean-Louis Barrat
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Abstract

We present a computer simulation of entangled polymer solutions at equilibrium. The chains repel each other via a soft Gaussian potential, appropriate for semi-dilute solutions at the scale of a correlation blob. The key innovation to suppress chain crossings is to use a pseudo-continuous model of a backbone which effectively leaves no gaps between consecutive points on the chain, unlike the usual bead-and-spring model. Our algorithm is sufficiently fast to observe the entangled regime using a standard desktop computer. The simulated structural and mechanical correlations are in fair agreement with the expected predictions for a semi-dilute solution of entangled chains.

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Airidas Korolkovas, Philipp Gutfreund, Jean-Louis Barrat. 2017-01-07. Simulation of Entangled Polymer Solutions. https://doi.org/10.1063/1.4963400

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