Modeling polyatomic molecules in kinetic theory: from physics to PDEs to simulations

Modeling polyatomic molecules in kinetic theory: from physics to PDEs to simulations

This presentation is on the mathematical description of polyatomic molecules in kinetic theory (Boltzmann, BGK, Fokker–Planck, etc.). Relying on a general framework we developed, we link the physical molecular models to the kinetic polyatomic models of the mathematical community, as well as to kinetic models suited for particle-based simulations. We show that there are three equivalent descriptions, each relevant for a specific part of the global picture: from physics (states), to mathematical analysis (energy levels), to numerical simulations (energy quantiles).

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