A Mesoscopic Model with Vectorial Structure Parameter for Interacting Star Polymers

Barry W. Fitzgerald (Corresponding Author), Wim J. Briels

Research output: Contribution to journalArticleAcademicpeer-review

2 Citations (Scopus)

Abstract

An updated mesoscopic model for transient forces between two star polymers is presented. Calculation of the transient forces is based on the response of a vectorial structure parameter between two star polymers and differs from previous models that used a scalar structure parameter. The update of the model is motivated by the occurrence of two distinct processes in previous small-scale simulations of two star polymers moving past each other. A simple model that takes these processes into account turns out to fit into an obvious generalization of the RaPiD model introduced by us some time ago. The model reproduces forces from the simulation quite well, and at the same time removes an unphysical feature of the RaPiD model used so far.

Original languageEnglish
Article number1700069
JournalMacromolecular theory and simulations
Volume27
Issue number1
DOIs
Publication statusPublished - 1 Jan 2018

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Stars
Polymers
stars
polymers
simulation
occurrences
scalars

Keywords

  • UT-Hybrid-D
  • Mesoscopic model
  • Polymers
  • RaPiD
  • Topological constraints
  • Coarse graining
  • mesoscopic model
  • topological constraints
  • coarse graining
  • polymers

Cite this

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A Mesoscopic Model with Vectorial Structure Parameter for Interacting Star Polymers. / Fitzgerald, Barry W. (Corresponding Author); Briels, Wim J.

In: Macromolecular theory and simulations, Vol. 27, No. 1, 1700069 , 01.01.2018.

Research output: Contribution to journalArticleAcademicpeer-review

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