Description: Semidilute Polymer Solutions at Equilibrium and under Shear Flow

This title appears in the Scientific Report : 2010

Semidilute Polymer Solutions at Equilibrium and under Shear Flow

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 intera...

Personal Name(s):	Huang, C.C.
	Winkler, R. G. / Sutmann, G. / Gompper, G.
Contributing Institute:	JARA - HPC; JARA-HPC Jülich Supercomputing Center; JSC Theorie der Weichen Materie und Biophysik; IAS-2 Theorie der Weichen Materie und Biophysik; IFF-2
Published in:	Macromolecules, 43 (2010) S. 10107 - 10116
Imprint:	Washington, DC Soc. 2010
Physical Description:	10107 - 10116
DOI:	10.1021/ma101836x
Document Type:	Journal Article
Research Program:	Computational Science and Mathematical Methods Scientific Computing BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung
Series Title:	Macromolecules 43
Subject (ZB):	J
	Publikationsportal JuSER

Please use the identifier: http://dx.doi.org/10.1021/ma101836x in citations.

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.