001034277 001__ 1034277
001034277 005__ 20250203133232.0
001034277 0247_ $$2doi$$a10.1016/j.electacta.2024.145280
001034277 0247_ $$2ISSN$$a0013-4686
001034277 0247_ $$2ISSN$$a1873-3859
001034277 0247_ $$2datacite_doi$$a10.34734/FZJ-2024-07066
001034277 0247_ $$2WOS$$aWOS:001348120300001
001034277 037__ $$aFZJ-2024-07066
001034277 041__ $$aEnglish
001034277 082__ $$a540
001034277 1001_ $$0P:(DE-Juel1)191435$$aJanotta, Benjamin$$b0$$eCorresponding author$$ufzj
001034277 245__ $$aAn assessment of electroneutrality implementations for accurate electrochemical ion transport models
001034277 260__ $$aNew York, NY [u.a.]$$bElsevier$$c2024
001034277 3367_ $$2DRIVER$$aarticle
001034277 3367_ $$2DataCite$$aOutput Types/Journal article
001034277 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1734434839_28897
001034277 3367_ $$2BibTeX$$aARTICLE
001034277 3367_ $$2ORCID$$aJOURNAL_ARTICLE
001034277 3367_ $$00$$2EndNote$$aJournal Article
001034277 520__ $$aDuring the diffusion and migration of ions in electrolytes, the electrodynamic ion-ion interactions prevent charge separation despite different ionic mobilities, ultimately enforcing electroneutrality in the bulk electrolyte. To model ion transport accurately, a method to enforce electroneutrality must be implemented. In this study, four strategies to implement electroneutrality are discussed and evaluated. The ion distributions that result from a transport model with the different electroneutrality implementations are calculated, considering various electrolytes and sets of electrochemical parameters. The meaningfulness and applicability of each implementation are assessed through spatial charge accumulations, transference numbers, and experimental data from the literature. Combining the electrochemical ion transport models with the electroneutrality constraint for all ions is shown to result in an overdetermined system of equations if the driving forces are calculated under neglection of diffusion potentials. The often-reported model simplification of using the electroneutrality constraint to resolve the transport of one specific species explicitly results in non-physically correct mass transport. A practical approach to precisely describe the measured physicochemical ion movements is obtained by equilibrating spatial charges with the ion conduction for every time step in the ion transport model, which is reasonably applicable to multi-ion systems in three-dimensional frameworks. This comprehensive assessment aims to guide readers in selecting an appropriate electroneutrality implementation framework for ion transport models.
001034277 536__ $$0G:(DE-HGF)POF4-1231$$a1231 - Electrochemistry for Hydrogen (POF4-123)$$cPOF4-123$$fPOF IV$$x0
001034277 536__ $$0G:(DE-Juel1)HITEC-20170406$$aHITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406)$$cHITEC-20170406$$x1
001034277 588__ $$aDataset connected to CrossRef, Journals: juser.fz-juelich.de
001034277 7001_ $$0P:(DE-Juel1)179453$$aSchalenbach, Maximilian$$b1$$eCorresponding author
001034277 7001_ $$0P:(DE-Juel1)161208$$aTempel, Hermann$$b2
001034277 7001_ $$0P:(DE-Juel1)156123$$aEichel, Rüdiger-A.$$b3$$ufzj
001034277 773__ $$0PERI:(DE-600)1483548-4$$a10.1016/j.electacta.2024.145280$$gVol. 508, p. 145280 -$$p145280 -$$tElectrochimica acta$$v508$$x0013-4686$$y2024
001034277 8564_ $$uhttps://juser.fz-juelich.de/record/1034277/files/1-s2.0-S0013468624015160-main.pdf$$yOpenAccess
001034277 8767_ $$d2025-01-08$$eHybrid-OA$$jDEAL
001034277 909CO $$ooai:juser.fz-juelich.de:1034277$$pdnbdelivery$$popenCost$$pVDB$$pdriver$$pOpenAPC_DEAL$$popen_access$$popenaire
001034277 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)191435$$aForschungszentrum Jülich$$b0$$kFZJ
001034277 9101_ $$0I:(DE-588b)36225-6$$6P:(DE-Juel1)191435$$aRWTH Aachen$$b0$$kRWTH
001034277 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)179453$$aForschungszentrum Jülich$$b1$$kFZJ
001034277 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)161208$$aForschungszentrum Jülich$$b2$$kFZJ
001034277 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)156123$$aForschungszentrum Jülich$$b3$$kFZJ
001034277 9101_ $$0I:(DE-588b)36225-6$$6P:(DE-Juel1)156123$$aRWTH Aachen$$b3$$kRWTH
001034277 9131_ $$0G:(DE-HGF)POF4-123$$1G:(DE-HGF)POF4-120$$2G:(DE-HGF)POF4-100$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-1231$$aDE-HGF$$bForschungsbereich Energie$$lMaterialien und Technologien für die Energiewende (MTET)$$vChemische Energieträger$$x0
001034277 9141_ $$y2024
001034277 915pc $$0PC:(DE-HGF)0000$$2APC$$aAPC keys set
001034277 915pc $$0PC:(DE-HGF)0001$$2APC$$aLocal Funding
001034277 915pc $$0PC:(DE-HGF)0002$$2APC$$aDFG OA Publikationskosten
001034277 915pc $$0PC:(DE-HGF)0125$$2APC$$aDEAL: Elsevier 09/01/2023
001034277 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2023-08-24
001034277 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
001034277 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2023-08-24
001034277 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
001034277 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz$$d2024-12-09$$wger
001034277 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2024-12-09
001034277 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2024-12-09
001034277 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2024-12-09
001034277 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bELECTROCHIM ACTA : 2022$$d2024-12-09
001034277 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2024-12-09
001034277 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2024-12-09
001034277 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search$$d2024-12-09
001034277 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC$$d2024-12-09
001034277 915__ $$0StatID:(DE-HGF)9905$$2StatID$$aIF >= 5$$bELECTROCHIM ACTA : 2022$$d2024-12-09
001034277 920__ $$lyes
001034277 9201_ $$0I:(DE-Juel1)IET-1-20110218$$kIET-1$$lGrundlagen der Elektrochemie$$x0
001034277 9801_ $$aFullTexts
001034277 980__ $$ajournal
001034277 980__ $$aVDB
001034277 980__ $$aUNRESTRICTED
001034277 980__ $$aI:(DE-Juel1)IET-1-20110218
001034277 980__ $$aAPC