Naslov
Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme

Autori
Kulyk, Nadiia ; Berger, Daniel ; Smith, Ana-Sunčana ; Harting, Jens

Izvornik
Computer physics communications (0010-4655) 256 (2020); 107443, 31

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Catalytic flow ; Conjugated heat transfer ; Reaction enthalpy ; Thermal lattice Boltzmann method

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

Napomena
Funding text
We thank Nikolaos I. Prasianakis, David M. Smith, Marco Haumann and Peter Wasserscheid for fruitful discussions. The authors acknowledge financial support by the Deutsche Forschungsgemeinschaft (DFG) within the Cluster of Excellence “Engineering of Advanced Materials” (project EXC 315) (Bridge Funding) and CRC1411 “Design of Particulate Products”. We further acknowledge support by the Bundesministerium für Bildung und Forschung BMBF within project “Tubulyze” (project number03SF0564E).

POVEZANOST RADA