Brownian dynamics of polymer rheological properties with hydrodynamic interaction and excluded-volume effects Online publication date: Mon, 31-Mar-2014
by Zhiyu Min; Jiuhua Yu; Li Kang; Junhua Hu
International Journal of Nanomanufacturing (IJNM), Vol. 9, No. 3/4, 2013
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.
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