Micro-Macro Modeling of Polymeric Fluids and Shear-Induced Microscopic Behaviors

TL;DR

This paper develops a thermodynamically consistent micro-macro model for polymeric fluids incorporating various microscopic potentials, validated through numerical simulations, revealing micro-scale behaviors like bond breaking and their impact on macro-scale shear properties.

Contribution

It introduces modified Morse and Elastic-plastic potentials into micro-macro modeling of polymeric fluids, capturing microscopic bond-breaking processes and their effects on fluid behavior.

Findings

Polymer bond breaking leads to zero polymer stress in the model.

Polymer rotation causes shear-thinning at high shear rates with Hookean potential.

Micro-scale polymer behaviors differ significantly from macro-scale flow responses.

Abstract

This article delves into the micro-macro modeling of polymeric fluids, considering various microscopic potential energies, including the classical Hookean potential, as well as newly proposed modified Morse and Elastic-plastic potentials. These proposed potentials encompass microscopic-scale bond-breaking processes. The development of a thermodynamically consistent micro-macro model is revisited, employing the energy variational method. To validate the model's predictions, we conduct numerical simulations utilizing a deterministic particle-FEM method. Our numerical findings shed light on the distinct behaviors exhibited by polymer chains at the micro-scale in comparison to the macro-scale velocity and induced shear stresses of fluids under shear flow. Notably, we observe that polymer elongation, rotation, and bond breaking contribute to the zero polymer-induced stress in the micro-macro model when employing Morse and Elastic-plastic potentials. Furthermore, at high shear rates, polymer rotation is found to induce shear-thinning behavior in the model employing the classical Hookean potential.