Modeling and Simulation of Dynamics of Polymeric Solutions: Progress and Challenges
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Quantitative understanding of the influence of physico-chemical parameters on the dynamic evolution of microstructure in polymeric solutions plays a central role in processing of wide variety of micro-structured materials. Over the past decade tremendous progress has been made in development of kinetic theory bases coarse- grained micro-mechanical models for polymeric solutions as well as robust and highly accurate continuum and multi-scale simulation techniques for flow simulation of this class of fluids in complex kinematics flows. In this presentation, I will briefly review the progress made in these areas as well the remaining challenges in development of a unified approach for predicting dynamics of polymeric solutions in prototypical complex kinematics flows. Specifically, I will address the following issues: A detailed evaluation of various coarse-grained kinetic theory based micro-mechanical models for polymeric solutions in terms of their ability to predict detailed polymer configuration states observed via single molecule microscopy as well as measured rheological properties will be given. In addition, new computationally tractable models for macromolecular scission and chain dynamics will be discussed. An overview of existing continuum and multi-scale simulation techniques for steady and dynamic simulations of polymeric solutions in complex kinematics flows will also be presented. In turn, the ability of current simulation techniques and constitutive equations/micro-mechanical models for polymeric solutions to capture the experimentally observed flow kinematics, polymeric stresses in a number of complex kinematics flow geometries will be discussed. Based on these comparisons a unified approach for predicting dynamics of polymeric solutions in complex kinematics flows will be suggested.