Exploring the Molecular Distributions in Dilute Polymer Solutions Using a Multi-Scale Numerical Solver

Polymers (Basel). 2018 Apr 1;10(4):387. doi: 10.3390/polym10040387.

Abstract

Simulating the rheological behaviors of polymer solutions is intrinsically a multi-scale problem. To study the macroscopic and microscopic characteristics in the fluid flow of dilute polymer solutions, we designed a multi-scale solver, which couples the Brownian Configuration Fields with the macroscopic hydrodynamic governing equations. Numerical simulation results using the multi-scale solver exhibited good accordance with the macroscopic only approach. Through a scalar field D we also quantitatively studied the flow behaviours in 2D planar channels, and analyzed the correlation between the molecular distribution and the macroscopic fluid flow in polymer solutions. Our results verified the correctness of the solver, which could provide valuable guidance for multi-scale simulations of complex fluids based on OpenFOAM.

Keywords: OpenFOAM; dilute polymer solutions; molecular distributions; multi-scale simulation.