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In his talk, Benjamin will provide an overview of his theoretical research, related applications and the research (and non-scientific) environment in Germany. He will introduce the core concepts of molecular thermodynamics and outline the pathway from molecular interactions to the thermodynamic properties of solid-fluid systems – properties that are essential for many technological applications. Benjamin will then discuss three molecular models: Classical density functional theory (DFT), which allows to calculate equilibrium properties such as contact angles and solvation free energies. Second, the concept of entropy scaling is used to determine transport properties including viscosity and diffusion coefficient. Third, hydrodynamic DFT is a continuum approach based on balance equations, similar to the Navier-Stokes equations, which accounts for the effect of solid-fluid interfaces on flow within a porous system. Finally, a process model for CO2 capture using adsorption is briefly presented, which relies on molecular models for the adsorption isotherm, thereby connecting molecular models and typical engineering approaches.
Benjamin Bursik is a Ph.D. candidate in the field of molecular thermodynamics at the Institute of Thermodynamics and Thermal Process Engineering (ITT), at the University of Stuttgart. His research focuses on developing theoretical models to study fluids in porous media. Starting from the interactions of individual molecules, he investigates dynamic processes that are relevant in a variety of applications, such as fuel cells, underground water systems or biological tissue. Currently, Benjamin is conducting a three-month research stay with Prof. Luis Franco’s group, where he applies molecular models to adsorption processes for the capture of CO2 from exhaust gases. His master thesis at ITT involved deriving a model for surfactants, which are commonly used in soaps or as emulsifiers. As an undergraduate, he spent one year at the University of California, Berkeley, broadening his academic experience in thermodynamics and fluid dynamics.