Coupling of reaction and hydrodynamics around a reacting block modeled by Lattice Boltzmann Method (LBM)

Flow around a chemically reacting block is simulated using two different models for the reaction kinetics which are dynamically coupled to transport processes, modeled by the Lattice-Boltzmann Method (LBM). The first model for the reaction kinetics uses the mean field deterministic governing equations which adaptively operate at the time scales of LBM, whilst the second model uses kinetic Monte Carlo (kMC) technique that operates at time scales much smaller than those of LBM. It is found that the kMC–LBM method exhibits noticeably different physics than the mean field-LBM in the context of species generation and transport. This is due to the strong interplay between micro and meso/macro time scales in the flow field. The micro time scales are associated with the reaction whereas the meso/macro time scales are associated with diffusion and convection mechanism. The results indicate that there is a need for multi-scale temporal scaling that seamlessly links the reaction kinetics to the transport processes.

► Coupling of reaction and hydrodynamics using LBM.
► Flow around a chemically reacting block is simulated.
► Mean field deterministic and kinetic Monte Carlo are used for reaction kinetics.
► Strong interplay between the micro and meso/macro scales is found.