Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme

Nadiia Kulyk (Corresponding author), Daniel Berger, Ana Sunčana Smith, Jens Harting

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    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 catalyzing the so-called water-gas-shift reaction.

    Original languageEnglish
    Article number107443
    Number of pages10
    JournalComputer Physics Communications
    Publication statusPublished - Nov 2020


    • Catalytic flow
    • Conjugated heat transfer
    • Reaction enthalpy
    • Thermal lattice Boltzmann method


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