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Star polymers as unit cells for coarse-graining cross-linked networks

Taras Y. Molotilin1, Salim R. Maduar1, and Olga I. Vinogradova1,2,3,*

  • 1A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31 Leninsky Prospect, 119071 Moscow, Russia
  • 2Department of Physics, M.V. Lomonosov Moscow State University, 119991 Moscow, Russia
  • 3DWI–Leibniz Institute for Interactive Materials, Forckenbeckstrasse 50, 52056 Aachen, Germany

  • *Corresponding author: oivinograd@yahoo.com
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Phys. Rev. E 97, 032504 – Published 13 March, 2018

DOI: https://doi.org/10.1103/PhysRevE.97.032504

Abstract

Reducing the complexity of cross-linked polymer networks by preserving their main macroscale properties is key to understanding them, and a crucial issue is to relate individual properties of the polymer constituents to those of the reduced network. Here we study polymer networks in a good solvent, by considering star polymers as their unit elements, and first quantify the interaction between their centers of masses. We then reduce the complexity of a network by replacing sets of its bridged star polymers by equivalent effective soft particles with dense cores. Our coarse graining allows us to approximate complex polymer networks by much simpler ones, keeping their relevant mechanical properties, as illustrated in computer experiments.

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Phys. Rev. E 97, 032504– Published 13 March, 2018
  • Received 7 September 2016
  • Revised 20 February 2018
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