A mesoscopic model with vectorial structure parameter for interacting star polymers

Journal article (2018)

Authors

B. Fitzgerald Intensified Reaction and Separation Systems - Mechanical, Maritime and Materials Engineering
W. J. Briels Forschungszentrum Jülich, University of Twente
Research Group
Intensified Reaction and Separation Systems (Mechanical, Maritime and Materials Engineering) (TU Delft)
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Published Date

2018

Language

English

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Faculty

Mechanical, Maritime and Materials Engineering

Department

Process and Energy

Research Group

Intensified Reaction and Separation Systems

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.

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