This title appears in the Scientific Report : 2017 

Thermal lattice Boltzmann method for catalytic flows
Berger, Daniel (Corresponding author)
Harting, Jens / Smith, Ana / Smith, David / Vučemilović-Alagić, Nataša / Stepić, Robert / Wick, Christian
Helmholtz-Institut Erlangen-Nürnberg Erneuerbare Energien; IEK-11
COST Meeting Flowing matter 2017, Erlangen (Germany), 2017-02-28 - 2017-03-03
ohne Topic
Please use the identifier: in citations.
Many catalyst devices employ porous or foam-like structures to optimize the surface to volume ratio in order to maximize the catalytic efficiency. The porous structure leads to acomplex macroscopic mass and heat transport. Local heat accumulation changes the local reaction conditions, which in turn affects the catalytic turn over rate and eventuallycompromises the stability of the catalytic device.We present a thermal multicomponent model based on the entropic lattice Boltzmann method [1] to simulate catalytic flows through porous media. This method reproducesthe Navier-Stokes equations and allows the tracking of temperature dynamics. The viscosity, diffusivity, and heat diffusivity are calculated from the Lennard-Jones parametersof the gases, while the chemical surface reactions are incorporated in a very flexible fashion through the flux boundary conditions at the walls.