Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme
Kulyk N, Berger D, Smith AS, Harting J (2020)
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.
Authors with CRIS profile
Ana-Suncana Smith
Physics Underlying Life Science
Jens Harting
Professur für Multiskalen-Modellierung für kontrollierte Filmbildung (HIERN)
Related research project(s)
Molecular modelling of surface and particle interactions (SFB 1411 - D01)
Design of particulate products (SFB 1411)
Jan. 1, 2020 - Dec. 31, 2023
Modelling transport of nanoparticles (SFB 1411 - D02)
Design of particulate products (SFB 1411)
Jan. 1, 2020 - Dec. 31, 2023
Involved external institutions
Germany (DE)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://dx.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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