Nonequilibrium Thermodynamics of Interfacial Transport
Speaker
Phillip Rauscher
Research Scientist
Polymer Physics Group at Syensqo
Abstract
Nonequilibrium Thermodynamics of Interfacial Transport
Transport of heat and mass at interfaces is critical in many industrial processes, including various separations (accounting for some 15% of global energy consumption) and heterogeneous catalysis (contributing to 80% of chemical products). However, the thermodynamics of interfaces out-of-equilibrium are notoriously subtle and have not been firmly or rigorously established, hampering critical engineering analysis. In this presentation, I will discuss a transport theory for multiphase, multicomponent interfaces that builds upon the “sharp” interface concept first introduced by Gibbs. By requiring that the physics be insensitive to the precise location of the dividing surface, one can identify profound relationships between various interfacial quantities and devise strategies to characterize the thermodynamic state of the nonequilibrium interface. I will then present the results of extensive, high-precision nonequilibrium molecular dynamics (NEMD) simulations, which verify the theory, laying the groundwork for accurate and thermodynamically consistent modeling of transport at interfaces.
Bio
Phil Rauscher is a Research Scientist in the Polymer Physics group at Syensqo (formerly Solvay). He obtained his B.S. in Physics and Chemistry from Emory University in 2013 before working as a software consultant in the Cloud Services group at IBM. In 2016, he joined the Pritzker School of Molecular Engineering at the University of Chicago as a graduate student under the direction of Prof. Stuart Rowan and Prof. Juan de Pablo. He completed his Ph.D. in 2020, moving into a postdoctoral position until 2021, when he joined the Specialty Polymers business unit at Solvay (now Syensqo) as a Polymer Physicist. His research is centered on applying polymer and soft matter physics to industrial and technological challenges, with an emphasis on closely tying theory, simulation, and machine learning with experimental investigations. Current topics of interest include thermodynamics of complex formulations, rheology and mechanics of polymer materials, interfacial transport, and materials informatics. His work has been applied in a wide range of industries, including electronics, healthcare, automotive, aerospace, batteries, and chemical processes.