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Stochastic Simulation Of Entangled Polymeric Liquids In Fast Flows: Microstructure Modification, Joontaek Park, David W. Mead, Morton M. Denn

Chemical and Biochemical Engineering Faculty Research & Creative Works

We have modified the full-chain stochastic tube (XDS) model developed by Xu et al. [J. Rheol. 50, 477-494 (2006)] to simulate the rheology of entangled melts and solutions of linear monodisperse polymers. The XDS model, which has a single adjustable parameter that is equivalent to the Rouse time, successfully describes steady and transient shear and normal stress data at low to moderate rates, but the results deviate systematically from experimental data at high rates. The algorithm for re-entanglement was revised, and a configuration- dependent friction coefficient (CDFC), as originally proposed by Giesekus, was incorporated to account for microstructural change of …