Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme

Kulyk, Nadiia; Berger, Daniel; Smith, Ana-Sunčana; Harting, Jens (2020) Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme. Computer physics communications, 256 . ISSN 0010-4655

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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.

Item Type:	Article
Uncontrolled Keywords:	Catalytic flow ; Conjugated heat transfer ; Reaction enthalpy ; Thermal lattice Boltzmann method
Subjects:	NATURAL SCIENCES > Physics
Divisions:	Division of Physical Chemistry
Depositing User:	Ana Sunčana Smith
Date Deposited:	02 Dec 2020 13:44
URI:	http://fulir.irb.hr/id/eprint/6023
DOI:	10.1016/j.cpc.2020.107443

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