Title: Brownian dynamics of polymer rheological properties with hydrodynamic interaction and excluded-volume effects

Authors: Zhiyu Min; Jiuhua Yu; Li Kang; Junhua Hu

Addresses: Luoyang Institute of Science and technology, 90 Wangcheng Road, 471023, Luoyang City, Henan Province, China ' Luoyang Institute of Science and technology, 90 Wangcheng Road, 471023, Luoyang City, Henan Province, China ' Luoyang Institute of Science and technology, 90 Wangcheng Road, 471023, Luoyang City, Henan Province, China ' Zhengzhou University, 97 Wenhua Road, 450002, Zhengzhou City, Henan Province, China

Abstract: Based on the molecular theory of polymer rheological in steady and transient flow, hydrodynamic interactions are accounted for approximately by using the equilibrium-averaged Rotne-Prager-Yamakawa tensor, because the Oseen-Burgers tensor becomes non-positive definite when bead septations are comparable to, or less than, the bead radius. Excluded-volume interactions are incorporated through the Lennard-Jones potential, and the formulas for molecular chains configuration with hydrodynamic interactions and excluded volume are established for flow of polymer solutions. The simulations include examination of the effects of viscosity depending on length of the chain, shear rate, hydrodynamic interactions and excluded-volume interactions. Consequently, the hydrodynamic interactions and excluded volume included in a microscopic model of molecules give rise the significant effect on the macroscopic properties of polymer solutions, the viscosity is increased, and the additional stretching of molecular chains is yielded.

Keywords: FENE bead-spring model; Brownian dynamics; rheological properties; hydrodynamic interactions; excluded-volume interactions; rheology; simulation; viscosity; shear rate; nanotechnology; polymer solutions; molecular chains.

DOI: 10.1504/IJNM.2013.056047

International Journal of Nanomanufacturing, 2013 Vol.9 No.3/4, pp.229 - 237

Received: 29 Sep 2012
Accepted: 08 Jan 2013
Published online: 31 Mar 2014 *

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