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Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme

Kulyk N, Berger D, Smith AS, Harting J (2020)

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Publication Type: Journal article

Publication year: 2020

Journal

Book Volume: 256

Article Number: 107443

DOI: 10.1016/j.cpc.2020.107443

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

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How to cite

APA:

Kulyk, N., Berger, D., Smith, A.-S., & Harting, J. (2020). Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme. Computer Physics Communications, 256. https://doi.org/10.1016/j.cpc.2020.107443

MLA:

Kulyk, Nadiia, et al. "Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme." Computer Physics Communications 256 (2020).

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