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A Mesoscopic Model with Vectorial Structure Parameter for Interacting Star Polymers
Author(s) -
Fitzgerald Barry W.,
Briels Wim J.
Publication year - 2018
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201700069
Subject(s) - mesoscopic physics , statistical physics , generalization , star (game theory) , star polymer , scalar (mathematics) , transient (computer programming) , physics , simple (philosophy) , classical mechanics , polymer , computer science , mathematics , mathematical analysis , quantum mechanics , geometry , astrophysics , philosophy , epistemology , nuclear magnetic resonance , polymerization , operating system
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.