Non-affine motion and selection of slip coefficient in constitutive modeling of polymeric solutions using a mixed derivative

Abstract

Constitutive models for the dynamics of polymer solutions traditionally rely on closure relations for the extra stress or related microstructural variables (e.g., conformation tensor) linking them to flow history. In this work, we study the eigendynamics of the conformation tensor within the GENERIC framework in mesoscopic computer simulations of polymer solutions to separate the effects of nonaffine motion from other sources of non-Newtonian behavior. We observe that nonaffine motion or slip increases with both the polymer concentration and the polymer chain length. Our analysis allows to uniquely calibrate a mixed derivative of the Gordon–Schowalter type in macroscopic models based on a micro-macromapping of the dynamics of the polymeric system. The presented approach paves the way for better polymer constitutive modeling in multiscale simulations of polymer solutions, where different sources of non-Newtonian behavior are modelled independently.