Chemical Engineering Research & Design, Vol.136, 456-467, 2018
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. (C) 2018 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
Keywords:Lattice Boltzmann method;Collision theory;Damkohler number;Homogeneous and heterogeneous reactions