Rouse model with fluctuating internal friction

Abstract

A coarse-grained bead-spring-dashpot chain model with the dashpots representing the presence of internal friction is solved exactly numerically for the case of chains with more than two beads. Using a decoupling procedure to remove the explicit coupling of a bead’s velocity with that of its nearest neighbors, the governing set of stochastic differential equations are solved with Brownian dynamics simulations to obtain material functions in oscillatory and steady simple shear flow. Simulation results for the real and imaginary components of the complex viscosity have been compared with the results of previously derived semi-analytical approximations, and the difference in the predictions is seen to diminish with an increase in the number of beads in the chain. The inclusion of internal friction results in a nonmonotonous variation of the viscosity with shear rate, with the occurrence of continuous shear-thickening following an initial shear-thinning regime. The onset of shear-thickening in the first normal stress coefficient is pushed to lower shear rates with an increase in the internal friction parameter.