A molecular collision based Lattice Boltzmann method for simulation of homogeneous and heterogeneous reactions

A novel molecular collision based Lattice Boltzmann model at mesoscale was extended for representing hydrodynamics and concentration field of three typical reactive systems: (a) a reactive flow in a catalytic pore, (b) a fluid flow in a rectangular channel with a homogeneous reaction in the bulk and (c) a fluid flow that passes a reactive cylindrical obstacle in a channel. For detailed comparison of the performance of the model, all problems were solved by conventional reactive Lattice Boltzmann models. Also, three Damkohler numbers including advection-based and diffusion-based were derived using dimensional analysis. For the numerical validations, the results of collision model showed a good agreement with finite element method and demonstrated the ability of the proposed model for capturing different reaction problems especially heterogeneous reactions.