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Fluids 2016, 1(1), 7; doi:10.3390/fluids1010007

Simulation of Individual Polymer Chains and Polymer Solutions with Smoothed Dissipative Particle Dynamics

Chair of Computational Science, ETH Zurich, CH-8092 Zurich, Switzerland
Department of Applied Physics, Technische Universiteit Eindhoven, P.O. Box 513, 5600 MB Eindhoven, The Netherlands
Lehrstuhl für Aerodynamik und Strömungsmechanik, Technische Universität München, 85748 Garching, Germany
Zienkiewicz Centre for Computational Engineering, Swansea University, SA1 8EN Swansea, UK
Author to whom correspondence should be addressed.
Academic Editor: Mehrdad Massoudi
Received: 3 December 2015 / Accepted: 1 February 2016 / Published: 6 February 2016
(This article belongs to the Special Issue Rheology and the Thermo-Mechanics of Non-Newtonian Fluids)
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In an earlier work (Litvinov et al., Phys.Rev.E 77, 066703 (2008)), a model for a polymer molecule in solution based on the smoothed dissipative particle dynamics method (SDPD) has been presented. In the present paper, we show that the model can be extended to three-dimensional situations and simulate effectively diluted and concentrated polymer solutions. For an isolated suspended polymer, calculated static and dynamic properties agree well with previous numerical studies and theoretical predictions based on the Zimm model. This implies that hydrodynamic interactions are fully developed and correctly reproduced under the current simulated conditions. Simulations of polymer solutions and melts are also performed using a reverse Poiseuille flow setup. The resulting steady rheological properties (viscosity, normal stress coefficients) are extracted from the simulations and the results are compared with the previous numerical studies, showing good results. View Full-Text
Keywords: polymer suspensions; mesoscopic modelling; smoothed dissipative particle dynamics polymer suspensions; mesoscopic modelling; smoothed dissipative particle dynamics

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Litvinov, S.; Xie, Q.; Hu, X.; Adams, N.; Ellero, M. Simulation of Individual Polymer Chains and Polymer Solutions with Smoothed Dissipative Particle Dynamics. Fluids 2016, 1, 7.

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