Brownian dynamics simulations of planar mixed flows of polymer solutions at finite concentrations

Abstract

Periodic boundary conditions for planar mixed flows are implemented in the context of a multi-chain Brownian dynamics simulation algorithm. The effect of shear rate $\dot{\gamma}$, and extension rate $\dot{\epsilon}$, on the size of polymer chains, \left, and on the polymer contribution to viscosity, $\eta$, is examined for solutions of FENE dumbbells at finite concentrations, with excluded volume interactions between the beads taken into account. The influence of the mixedness parameter, $\chi$, and flow strength, $\dot{\Gamma}$, on \left and $\eta$, is also examined, where $\chi \rightarrow 0$ corresponds to pure shear flow, and $\chi \rightarrow 1$ corresponds to pure extensional flow. It is shown that there exists a critical value, $\chi_\text{c}$, such that the flow is shear dominated for $\chi < \chi_\text{c}$, and extension dominated for $\chi > \chi_\text{c}$.Comment: 18 pages, 12 figures, to appear in Chemical Engineering Scienc