PrintedMarch1998SupercedesSAND86-8246BAFORTRANCOMPUTERCODEPACKAGEFORTHEEVALUATIONOFGAS-PHASE,MULTICOMPONENTTRANSPORTPROPERTIESRobertJ.KeeComputationalMechanicsDivisionSandiaNationalLaboratoriesLivermore,CA94551GrahamDixon-LewisDepartmentofFuelandCombustionScienceUniversityofLeedsLeeds,LS29JT,EnglandJürgenWarnatzInstitutfürAngewandtePhysikalisheChemieUniversitätHeidelberg6900Heidelberg,GermanyMichaelE.ColtrinLaserandAtomicPhysicsDivisionSandiaNationalLaboratoriesAlbuquerque,NM87185JamesA.MillerCombustionChemistryDivisionSandiaNationalLaboratoriesLivermore,CA94551HarryK.MoffatSurfaceProcessingSciencesDivisionSandiaNationalLaboratoriesAlbuquerque,NM87185AbstractThisreportdocumentsaFORTRANcomputercodepackagethatisusedfortheevaluationofgas-phasemulticomponentviscosities,thermalconductivities,diffusioncoefficients,andthermaldiffusioncoefficients.TheTRANSPORTPropertypackageisintwoparts.Thefirstisapreprocessorthatcomputespolynomialfitstothetemperaturedependentpartsofthepurespeciesviscositiesandbinarydiffusioncoefficients.Thecoefficientsofthesefitsarepassedtoalibraryofsubroutinesviaalinkingfile.Then,anysubroutinefromthislibrarymaybecalledtoreturneitherpurespeciespropertiesormulticomponentgasmixtureproperties.Thispackageusesthegas-phasechemicalkineticspackageCHEMKIN-III,andtheTRANSPORTpropertysubroutinesaredesignedtobeusedinconjunctionwiththeCHEMKIN-IIIsubroutinelibrary.5AFORTRANCOMPUTERCODEPACKAGEFORTHEEVALUATIONOFGAS-PHASEMULTICOMPONENTTRANSPORTPROPERTIESI.INTRODUCTIONCharacterizingthemoleculartransportofspecies,momentum,andenergyinamulticomponentgaseousmixturerequirestheevaluationofdiffusioncoefficients,viscosities,thermalconductivities,andthermaldiffusioncoefficients.Althoughevaluationofpurespeciespropertiesfollowsstandardkinetictheoryexpressions,onecanchoosefromarangeofpossibilitiesforevaluatingmixtureproperties.Moreover,computingthemixturepropertiescanbeexpensive,anddependingontheuseoftheresults,itisoftenadvantageoustomakesimplifyingassumptionstoreducethecomputati...
