Regensburg 2019 – scientific programme

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DY: Fachverband Dynamik und Statistische Physik

DY 17: Statistical Physics (General) I

DY 17.10: Talk

Tuesday, April 2, 2019, 12:30–12:45, H19

Multiscale model for heterogeneous catalysis in open-cell metal foam structures — •Sebastian Mühlbauer, Severin Strobl, and Thorsten Pöschel — Institute for Multiscale Simulation, Friedrich-Alexander-Universität Erlangen-Nürnberg

Heterogeneous catalysis in metallic or ceramic foam structures represents a very promising alternative to catalysis in packed beds or monoliths. Due to high porosity, specific surface and tortuosity, these structures provide excellent mass transport properties at moderate pressure drops. To investigate the reaction rate in such open-cell foam structures in the mass transfer limited regime, we develop a particle based simulation software. We combine an isotropic, lattice-free variant of Stochastic Rotation Dynamics with specialized boundary condition capable of modeling inlet and outlet for reactive flow. The foam structure itself is modeled as an inverse sphere packing, which is described via constructive solid geometry.

Using the developed simulation tool, we first investigate the flow through single unit cells for a wide range of parameters. The gathered results are then condensed to relations for pressure drop and reaction rate, which can be validated based on experimental data. Exploiting the derived relations, we follow a multiscale approach enabling us to investigate reactive flow through complex porous metal foam structures on macroscopic scale. We apply this multiscale model to find optimum foam structures which, for example, minimize flow resistance, while maximizing the reaction rate in a macroscopic catalytic converter.