Industry/University Collaboration: Molecular Theory of Transport Properties and Non-Newtonian Rheology

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This program seeks to use non-equilibrium molecular dynamics simulation techniques to develop an molecular level understanding of the transport properties of Newtonian fluids and mixtures and to the non-Newtonian rheological properties of polymeric fluids. For Newtonian fluids, particular attention will be focused on the viscosity, thermal conductivity, and mutual diffusion in representative liquid mixtures. For non-newtonian fluids, attention will be directed towards the stress tensor in both steady-state and transient states.