Literature DB >> 27782661

Simulation of entangled polymer solutions.

Airidas Korolkovas1, Philipp Gutfreund1, Jean-Louis Barrat1.   

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.

Entities:  

Year:  2016        PMID: 27782661     DOI: 10.1063/1.4963400

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Determine Mesh Size through Monomer Mean-Square Displacement.

Authors:  Ji-Xuan Hou
Journal:  Polymers (Basel)       Date:  2019-08-27       Impact factor: 4.329

  1 in total

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