Thermal multicomponent lattice Boltzmann model for catalytic reactive flows

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Jun;89(6):063310. doi: 10.1103/PhysRevE.89.063310. Epub 2014 Jun 30.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalysis*
  • Gases / chemistry*
  • Methane / chemistry*
  • Models, Chemical*
  • Oxidation-Reduction
  • Platinum / chemistry*
  • Rheology / methods*
  • Temperature
  • Thermodynamics

Substances

  • Gases
  • Platinum
  • Methane