title: Thermal multicomponent lattice Boltzmann model for catalytic reactive flows.
abstract: Catalytic reactions are of great interest in many applications related to power generation, fuel reforming and pollutant abatement, as well as in various biochemical processes. A recently proposed lattice Boltzmann model for thermal binary-mixture gas flows [J. Kang, N. I. Prasianakis, and J. Mantzaras, Phys. Rev. E. 87, 053304 (2013)] is revisited and extended for the simulation of multispecies flows with catalytic reactions. The resulting model can handle flows with large temperature and concentration gradients. The developed model is presented in detail and validated against a finite volume Navier-Stokes solver in the case of channel-flow methane catalytic combustion. The surface chemistry is treated with a one-step global reaction for the catalytic total oxidation of methane on platinum. In order to take into account thermal effects, the catalytic boundary condition of S. Arcidiacono, J. Mantzaras, and I. V. Karlin [Phys. Rev. E 78, 046711 (2008)] is adapted to account for temperature variations. Speed of sound simulations further demonstrate the physical integrity and unique features of the model.
authors.affiliation: Combustion Research Laboratory Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland.
authors.forename: Jinfen
authors.initials: J
authors.lastname: Kang
authors.affiliation: Combustion Research Laboratory Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland.
authors.forename: Nikolaos I
authors.initials: NI
authors.lastname: Prasianakis
authors.affiliation: Combustion Research Laboratory Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland.
authors.forename: John
authors.initials: J
authors.lastname: Mantzaras
mesh_terms: D002384:Catalysis; D005740:Gases / Q000737:chemistry*; D008697:Methane / Q000737:chemistry*; D008956:Models, Chemical; D010084:Oxidation-Reduction; D010984:Platinum / Q000737:chemistry*; D012212:Rheology / Q000379:methods*; D013696:Temperature; D013816:Thermodynamics
chemical_list: D005740:Gases; D010984:Platinum; D008697:Methane