000886123 001__ 886123
000886123 005__ 20240712113022.0
000886123 0247_ $$2doi$$a10.1016/j.cpc.2020.107443
000886123 0247_ $$2ISSN$$a0010-4655
000886123 0247_ $$2ISSN$$a1386-9485
000886123 0247_ $$2ISSN$$a1879-2944
000886123 0247_ $$2Handle$$a2128/26975
000886123 0247_ $$2WOS$$aWOS:000590251400013
000886123 037__ $$aFZJ-2020-04286
000886123 041__ $$aEnglish
000886123 082__ $$a530
000886123 1001_ $$0P:(DE-Juel1)172772$$aKulyk, Nadiia$$b0$$eCorresponding author
000886123 245__ $$aCatalytic flow with a coupled finite difference — Lattice Boltzmann scheme
000886123 260__ $$aAmsterdam$$bNorth Holland Publ. Co.$$c2020
000886123 3367_ $$2DRIVER$$aarticle
000886123 3367_ $$2DataCite$$aOutput Types/Journal article
000886123 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1611416891_28209
000886123 3367_ $$2BibTeX$$aARTICLE
000886123 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000886123 3367_ $$00$$2EndNote$$aJournal Article
000886123 520__ $$aMany catalyst devices employ flow through porous structures, which leads to a complex macroscopic mass and heat transport. To unravel the detailed dynamics of the reactive gas flow, we present an all-encompassing model, consisting of thermal lattice Boltzmann model by Kang et al., used to solve the heat and mass transport in the gas domain, coupled to a finite differences solver for the heat equation in the solid via thermal reactive boundary conditions for a consistent treatment of the reaction enthalpy. The chemical surface reactions are incorporated in a flexible fashion through flux boundary conditions at the gas–solid interface. We scrutinize the thermal FD-LBM by benchmarking the macroscopic transport in the gas domain as well as conservation of the enthalpy across the solid–gas interface. We exemplify the applicability of our model by simulating the reactive gas flow through a microporous material catalyzing the so-called water-gas-shift reaction.
000886123 536__ $$0G:(DE-HGF)POF3-121$$a121 - Solar cells of the next generation (POF3-121)$$cPOF3-121$$fPOF III$$x0
000886123 536__ $$0G:(GEPRIS)416229255$$aDFG project 416229255 - SFB 1411: Produktgestaltung disperser Systeme $$c416229255$$x1
000886123 588__ $$aDataset connected to CrossRef
000886123 7001_ $$0P:(DE-Juel1)169116$$aBerger, Daniel$$b1
000886123 7001_ $$0P:(DE-HGF)0$$aSmith, Ana-Sunčana$$b2
000886123 7001_ $$0P:(DE-Juel1)167472$$aHarting, Jens$$b3
000886123 773__ $$0PERI:(DE-600)1466511-6$$a10.1016/j.cpc.2020.107443$$gVol. 256, p. 107443 -$$p107443 -$$tComputer physics communications$$v256$$x0010-4655$$y2020
000886123 8564_ $$uhttps://juser.fz-juelich.de/record/886123/files/CatFlow_Berger.pdf$$yPublished on 2020-06-18. Available in OpenAccess from 2022-06-18.
000886123 8564_ $$uhttps://juser.fz-juelich.de/record/886123/files/Catalytic%20flow%20with%20a%20coupled%20finite%20difference%20_%20Lattice%20Boltzmann%20scheme.pdf$$yRestricted
000886123 8564_ $$uhttps://juser.fz-juelich.de/record/886123/files/Catalytic%20flow%20with%20a%20coupled%20finite%20difference%20_%20Lattice%20Boltzmann%20scheme.pdf?subformat=pdfa$$xpdfa$$yRestricted
000886123 909CO $$ooai:juser.fz-juelich.de:886123$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000886123 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)172772$$aForschungszentrum Jülich$$b0$$kFZJ
000886123 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)169116$$aForschungszentrum Jülich$$b1$$kFZJ
000886123 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)167472$$aForschungszentrum Jülich$$b3$$kFZJ
000886123 9131_ $$0G:(DE-HGF)POF3-121$$1G:(DE-HGF)POF3-120$$2G:(DE-HGF)POF3-100$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bEnergie$$lErneuerbare Energien$$vSolar cells of the next generation$$x0
000886123 9141_ $$y2020
000886123 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search$$d2020-01-15
000886123 915__ $$0LIC:(DE-HGF)CCBYNCND4$$2HGFVOC$$aCreative Commons Attribution-NonCommercial-NoDerivs CC BY-NC-ND 4.0
000886123 915__ $$0StatID:(DE-HGF)0530$$2StatID$$aEmbargoed OpenAccess
000886123 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bCOMPUT PHYS COMMUN : 2018$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2020-01-15
000886123 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz$$d2020-01-15$$wger
000886123 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2020-01-15
000886123 920__ $$lyes
000886123 9201_ $$0I:(DE-Juel1)IEK-11-20140314$$kIEK-11$$lHelmholtz-Institut Erlangen-Nürnberg Erneuerbare Energien$$x0
000886123 9801_ $$aFullTexts
000886123 980__ $$ajournal
000886123 980__ $$aVDB
000886123 980__ $$aUNRESTRICTED
000886123 980__ $$aI:(DE-Juel1)IEK-11-20140314
000886123 981__ $$aI:(DE-Juel1)IET-2-20140314