Elementary kinetic modelling applied to solid oxide fuel cell pattern anodes and a direct flame fuel cell system [Elektronische Ressource] / put forward by Marcel Vogler

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theDissertationMarcelsubmittedPuttoexamination:thectorComybiornnedyFofacNaturaluardltiesyforoglertheHeilbronnNaturalGermanSciencesforanddegreeforDoMathematicsofofSciencestheforwRupberto-CarolaDipl.-PhUs.nivVersitbyinofOralHeidelb27.05.2009erg,olfgangElementReferees:arflameyPuccikineticamodellingcellappliedDr.toDr.sBessleroliddirectofuelxidesystemfuelProf.cellAnnemariepPriv.-Doz.aWtternG.anodesandCElemenvtarkinetiscC)hebleMoamedellierungpvhargeonwFkineticestoforxid-kineticundcurrenDirektammen-BrennstozellenproZusammenfassung:alloImtheRsameahmewnfueldiesertheArbharacteristicseitdelwurdeandeinTheMoanddellthesiszurnVexporhersageydrogenmathekdirectroskofopiscticationherdesign,ZellcerwharakteristiktoadesvcellonthesisFpestoxidexid-Brenstozellenelop(SolidanOxidecFtaluelmassCell,wsSOFofC)ossibilitiesenofttica-wicdeterminationkaeltumericalundmozuridenUnetersucandheungxidationvsystemer-cscossiblehiedenerdSystemecessesvemenerwncreaseendet.onDasElemenModellingdellobasiertpatternaufaeineerAbstract:eleofmenmotar-predictionkinetiscisationhensolidBesccellshreibungaselektroThecbasedhemiscmenherofProzessereac-undedenationgrundlegeesnenergy-deldenpredictErhaltungsprinzipienoltagef?rSOFMasseidealundmoEnergie.TheEshierlaubttheeiofnandethequanpath-ti-duringtativTheeulationVtsorhersageanovedonaZelltosmostpannharge-transferungeundof-stromort.undydrogener?nettodamitfuelguteC)Vthata-olidierungsm?glicishkoneiten.

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theDissertationMarcelsubmittedPuttoexamination:thectorComybiornnedyFofacNaturaluardltiesyforoglertheHeilbronnNaturalGermanSciencesforanddegreeforDoMathematicsofofSciencestheforwRupberto-CarolaDipl.-PhUs.nivVersitbyinofOralHeidelb27.05.2009erg,olfgangElementReferees:arflameyPuccikineticamodellingcellappliedDr.toDr.sBessleroliddirectofuelxidesystemfuelProf.cellAnnemariepPriv.-Doz.aWtternG.anodesandCElemenvtarkinetiscC)hebleMoamedellierungpvhargeonwFkineticestoforxid-kineticundcurrenDirektammen-BrennstozellenproZusammenfassung:alloImtheRsameahmewnfueldiesertheArbharacteristicseitdelwurdeandeinTheMoanddellthesiszurnVexporhersageydrogenmathekdirectroskofopiscticationherdesign,ZellcerwharakteristiktoadesvcellonthesisFpestoxidexid-Brenstozellenelop(SolidanOxidecFtaluelmassCell,wsSOFofC)ossibilitiesenofttica-wicdeterminationkaeltumericalundmozuridenUnetersucandheungxidationvsystemer-cscossiblehiedenerdSystemecessesvemenerwncreaseendet.onDasElemenModellingdellobasiertpatternaufaeineerAbstract:eleofmenmotar-predictionkinetiscisationhensolidBesccellshreibungaselektroThecbasedhemiscmenherofProzessereac-undedenationgrundlegeesnenergy-deldenpredictErhaltungsprinzipienoltagef?rSOFMasseidealundmoEnergie.TheEshierlaubttheeiofnandethequanpath-ti-duringtativTheeulationVtsorhersageanovedonaZelltosmostpannharge-transferungeundof-stromort.undydrogener?nettodamitfuelguteC)Vthata-olidierungsm?glicishkoneiten.hanism.ZielthederlossArbtheeiimprotonist80%dieeciencyIdenproptizierung80%varten.ontaryraten-mobappliedestimmendensolidProzessexidencellundanodieandAufkl?rungdirectdesfuReaktionswlegessystembIneimcourseLadungstransfer.thisDurcahdeldiethenofumeriscolar-hecSimofulationovfuelon(SOFExpwerimendevtened.anmoMoisdellanoondeneleisttaryesdescriptiongeelectrolungen,hemicaleitionsnthefundamennconservWprinciasserstotransferlalofsandw.ahrscmoheinlialloctoh-thestent-vLadungstransfermecrelationhanismanusCzuoersidenptizierenforunddeldenalidation.Einu?aimvtonsDif-isfusionsprozessenidenaufzuzeigetionn.rate-limitingDiecessesAnthewofendungelemedertaryWwassersto-Kinetikyaufcdastransfer.KnomplettsystemsimderofDirektammen-Brennstozelleerimen(directwithamedelfueldescell,wDFFtoC)tifyzeigte,hdasstransferdamitbaucthehproba-diecelektroreactioncrevhemiscaledheinuenceUmsetzungdiusivvtransponApplyingCOhm?glicohkineticsithest.ameVcellerb(DFFessungsvshoorscedhl?ge,electrogewhemicalonnenxidationausCOderpQuanbasedtizierungthedermecVBaseerlonuquanstprozeofsseproiminDDFFFFsystem,CvSystem,tslassecellnpredictingeineiLeofistun,gssteereigerungosed.v.Con.ten.ts.1.In.tro.duction.and.bacthekgr.ou.nd.1.1.1ortIn.tro23duction..............Multi-scale...principles.Homo.....Mi.transp.....24...the.Mass.2.3.10.......Surface.....171.1.2.Bac.kground......Ge.........20.......electronic.22.......ort.....t.....Mass.des...the....2.1.2.1.F.uel.cells....16.hemistry...........Charge...........17.ort...........19.conserv......2191.2.2approacT.yp.es.of.fuelChargec.ells........20.ionic.(MIEC)...He.............Gas-phase...........Stagnation-p5w1.2.3.Soli.d.o.xide28fuelortcelorousl....29.ort.and.................32..............5.1.2.42.2.2SOFcC.ma.t.e.rials..............2.2.3.transfer.......................2.3.transp..6.1.2.5.Ele.ctro.c.hemical.c.haracterisation........2.3.1.neral.ation............7.1.2.62.3.2Mogenisationdelhano.des..............2.3.3.transp.......................2.3.4.xed.and.conductors9.2.Ph.ysico-c2.3.5hematiortcal.mo.delling.11.2.1.Electro.c.hemistry........2.3.6.transp.....................2.3.7.oin.o..............12.2.2.Elemen.tary2.3.8kineticstransp.in.p.electro...........2.3.9.transp.on.surface.in.bulk.....30.Conclusions............15.2.2.1.Gas-phase.c.hemistry....i..ii.CONTENTS.3.Ni/YSZResultsmo.del.ano.de.33del3.1.In.tro.duction........alidation.....del.cesses.........4.1...67.......70...4.3..............33843.2.Elemen.tary4.5c.harge-transfer.reactionConclusions.......ame.................4.2.1....35.3.3cellMo.del....for...........of.....Mo.............of.....Mo...............64....38.3.3.1.Sim.ulation.metho.dology4.cell.tro...............Mo..............39.3.3.2phaseCompil.ation.of.mo.del.parameters..F...............ulation.del....40.3.476Simdiscussionulation.targets.for.mo.del.v4.4.1alidationfull.........77.reduction...........4.4.3.alidation46.3.5.Results......Analysi.pr.........88.optimisation.......................92.......3.7..........47.3.5.1.Comparison.of.c.harge-transfer.mec.hanisms....65.Direct.fuel.67.In.duction47.3.5.2.Sensitivi.t.y.analysis..................4.2.del....................52.3.5.3.Conned-regio.n.and.fully-spreaded69cGasharge.transfer.......54.3.5.4.Apparen.t.T.afel.slop.es.and4.2.2rate-limitinguelsteps.............55.3.5.5.In.terstitial.c.h.a71rSimgetargetstransfermo.v...............4.4.and............57.3.6.Discussion......77.Results.the.mo...................4.4.2.del.......................8163Mo3.6.1vEle.ctro.c.hemistry.of.h.ydrogen.o.xidation.on.Ni.ano4.4.4dess.loss63o3.6.2.Apparen.t.T.afel.slop.es......4.4.5.del-based.................90.Conclusions..........63.3.6.3.Recom.mendations.for.further.studies........CONTENTS.iiihanism5hanismSummary.95laApp.endix.99mecA105Thermo.dynamicolsdata.ofTin.terstitial.spB.2.1ecies.101.A.1electroHydrogen.in110YSZList.119.....105.reaction...........C.........DFF.surface.......Nusselt.113.sym.Bibliograph..101.A.2.Hydrogen.in.nic.kB.2elabulated.mec...................105.DFF.gas-phase.hanisms...............B.2.2.C.de102mecB.DFF.C.supplemen.tary.information.105CB.1indexIonicwconductivitDyofofbthe115SDCyelectrolyte.