Catalytic flow with a coupled Finite Difference -- Lattice Boltzmann scheme
Abstract
Many catalyst devices employ flow through porous structures, which leads to a complex macroscopic mass and heat transport. To unravel the detailed dynamics of the reactive gas flow, we present an all-encompassing model, consisting of thermal lattice Boltzmann model by Kang et al., used to solve the heat and mass transport in the gas domain, coupled to a finite differences solver for the heat equation in the solid via thermal reactive boundary conditions for a consistent treatment of the reaction enthalpy. The chemical surface reactions are incorporated in a flexible fashion through flux boundary conditions at the gas-solid interface. We scrutinize the thermal FD-LBM by benchmarking the macroscopic transport in the gas domain as well as conservation of the enthalpy across the solid-gas interface. We exemplify the applicability of our model by simulating the reactive gas flow through a microporous material catalysing the so-called water-gas-shift reaction.
Cite
@article{arxiv.1804.07588,
title = {Catalytic flow with a coupled Finite Difference -- Lattice Boltzmann scheme},
author = {Nadiia Kulyk and Daniel Berger and Ana-Sunčana Smith and Jens Harting},
journal= {arXiv preprint arXiv:1804.07588},
year = {2020}
}