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1、METHODSFORESTIMATINGMAXIMIUMINCREMENTALREACTIVITY(MIR)OFHYDROCARBONSOLVENTSANDTHEIRCLASSIFICATIONE.S.C.Kwok,C.Takemoto,andA.ChewTechnicalEvaluationSectionAirQualityMeasuresBranchStationarySourceDivisionCaliforniaAirResourcesBoard2020LStreetSacramento,CA95814
2、ABSTRACTHydrocarbonsolvents(HCS)arecomplexmixturesofalkanes,branchedalkanes,cycloalkanes,andaromaticsthatareusedinmanufacturingavarietyofhouseholdandcommercialproductssuchasaerosolcoatings.Thesesolventscontainvolatileorganiccompounds(VOCs)whichcanreactphotoc
3、hemicallyintheatmospheretocontributetoground-levelozoneformation.Todeterminetheair-qualityimpactofHCS,aquantitativeassessmentoftheirozoneformationpotential(i.e.reactivity)isneeded.Atpresent,exceptforafewHCS,noexperimentaldataareavailablefordeterminingtheirma
4、ximumimpactonurbanozoneformation(i.e.maximumincrementalreactivityorMIR).AlthoughacomputationalmethodexistsfordeterminingtheMIRvalue,thedetailedchemicalspeciationdataneededforsuchacalculationmaynotbeavailableforallHCS.Inthiswork,wehavedevelopedanempiricalesti
5、mationmethodforcalculatingtheMIRsofHCS.ThismethodassumesthattheoverallreactivityofaHCScanbeseparatedintothecontributionfromitschemicalconstituentclassessuchasn-alkanes,branched-alkanes,cycloalkanes,andsubstitutedaromatics.Aboilingpoint-MIRrelationshipwasdeve
6、lopedforeachchemicalclass,andcompositionweightedn-alkane-branchedalkane-cycloalkane-aromaticssurrogatemixtureswereusedtocalculatethereactivityofHCSwithdifferentboilingranges.Duringitsdevelopment,thisestimationtechniquewastestedagainstthehydrocarbonsolventdat
7、aprovidedbytheChemicalManufacturingAssociation(CMA),andover90percentofthecalculatedandexperimentalMIRvaluesofhydrocarbonsolventsdifferedbynomorethanafactorof1.15.ThisresultsuggeststhatthetechniquedevelopedcanbeusedforcalculatingtheMIRvaluesofHCSwithnoexperim
8、entaldataavailable.ThisestimationmethodwasthenusedtodevelopaHCSclassificationschemeforthereactivity-basedVOCregulationforaerosolcoatings.INTRODUCTIONHydrocarbonsolvents(HCS)arecomplexmixturesofa
