Journal Article

PreJuSER-12600

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Semidilute Polymer Solutions at Equilibrium and under Shear Flow

Huang, C. C.FZJ* ; Winkler, R. G.FZJ* ; Sutmann, G.FZJ* ; Gompper, G.FZJ*

2010
Soc. Washington, DC

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Please use a persistent id in citations: doi:10.1021/ma101836x

Abstract: The properties of semidilute polymer solutions are investigated at equilibrium and under shear flow by mesoscale simulations, which combine molecular dynamics simulations and the multiparticle collision dynamics approach. In semidilute solution, intermolecular hydrodynamic and excluded volume interactions become increasingly important due to the presence of polymer overlap. At equilibrium, the dependence of the radius of gyration, the structure factor, and the zero-shear viscosity on the polymer concentration is determined and found to be in good agreement with scaling predictions. In shear flow, the polymer alignment and deformation are calculated as a function of concentration. Shear thinning, which is related to flow alignment and finite polymer extensibility, is characterized by the shear viscosity and the normal stress coefficients.

Keyword(s): J

Note: The financial support by the Deutsche Forschungsgemeinschaft (DFG) within SFB TR6 (project A4) is gratefully acknowledged. We are grateful to the Julich Supercomputer Centre (JSC) for allocation of a special CPU-time grant.

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Contributing Institute(s):

1. Theorie der Weichen Materie und Biophysik (IFF-2)
2. Theorie der Weichen Materie und Biophysik (IAS-2)
3. Jülich Supercomputing Centre (JSC)
4. Jülich Aachen Research Alliance - High-Performance Computing (JARA-HPC)

Research Program(s):

1. BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung (FUEK505) (FUEK505)
2. Scientific Computing (FUEK411) (FUEK411)
3. 411 - Computational Science and Mathematical Methods (POF2-411) (POF2-411)

Appears in the scientific report 2010

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