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1、Tutorials–MechanismAnalysisBrunoYeum,Ph.D.EChemSoftwareJanuary15,2002Revised:April1,2002ThirteenApplicationExampleshavebeenpreparedforV3.10.Youwillbeabletolearnabouttheeffectsoftheelementsinanequivalentcircuitandkineticparametersonimpedanceandgetanswerstothe
2、followingquestions:1.Whatistherelationshipbetweenelectrodekineticsandequivalentcircuit?2.Whataboutelectrodepolarizationdata(EvsI)?3.Whendowehaveanegativechargetransferresistance(Rt)?4.Whatcausespseudo-inductivebehavior?Mainemphasisisontheimplementationoftheo
3、ptimizationmethoddescribedinthe“TechNote12–StudiesofReactionMechanisms”.•ApplicabletoFaradaicreactionswithoutmasstransfercontrol.•Implementedtoreactionsinvolving1,2,3,and4adsorbedintermediates.•Equivalentcircuitallowsdeterminationoftheelectrochemicalparamete
4、rsintheFaradaicadmittanceequation.•Estimatetheelementvaluesintheequivalentcircuit.Calculatetheelectrochemicalparameterscorrespondingtomeasuredimpedance.•Optimizebasedontheelectrochemicalparameters.Findasetofthekineticparametersprovidingthebestmatchwiththeele
5、ctrochemicalparameters.REACTIONMODELKINETICPARSki=ki0*exp[bi*(E-Eo)]ADSORPTIONOFSPECIESCHARGEBALANCE(Totalcurrent)MASSBALANCE(Coverages)TRANSFERFUNCTION(Faradaicadmittance)FOR2ADSORBEDINTERMEDIATESFARADAICADMITTANCEEQUATIONEQUIVALENTCIRCUITELECTROCHEMICALELE
6、MENTVALUESPARSYF=1/Rt+(A2+jwB2)/(D2-w*w+jwT2)(CR(LR)(LR))A2,B2,C2,D2Cdl,Rt,L1,R1,L2,R2ZSIMPWINIMPEDANCEDATAMEASUREDATE1,E2,E3,...EnTutorials-MechanismAnalysis1A.SimulateModeExamplesCollectionoftheSimulateModeRunExamplespresentedinthepreviousversion.Clickonar
7、adiobuttontoshowtheequivalentcircuit,thevaluesoftheelements,andthesimulatedimpedance.Toexaminetheeffectofaparameter,changeitsvalueandclickonthe[PlotZ]button.EqualimpedancecanbeobtainedwiththeVoigt,Maxwell,andLaddercircuits(R(CR)(CR),R(CR(CR)),andR(C(R(CR))))
8、withadequateconversionsoftheelementvaluesbetweenthesecircuits[1].Berthier,Diard,andMichel[2]showedthatthecircuitscontainingCPEs(EachCreplacedbyQ)canbeequal,andpresentedtransformationformulasbetw
