环境化学中常用模型介绍

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1、实用标准文案ANNEXCDESCRIPTIONSOFMAINPROCESSESThisAnnexcontainsthedescriptionsofthemainprocessesdeterminingPOPenvironmentalbehaviorusedintheparticipatingmodels.C.1.Gas/particlepartitioningEVN-BETRandUK-MODELThegas-particlepartitioningisdescribedwiththehelpoftheFinizioAerosolPartitioncoefficie

2、ntKQA.It’sdependenceontheoctanol-airpartitioncoefficientKoaisdepictedbythefollowingformula:KQA=3.5·KoaThefugacitycapacityofthebulkaircompartmentcanthenbewrittenasthesumofthegaseousandparticle-boundchemicalfraction:(1–particlesinairvolumefraction)·Zair+(particlesinairvolumefraction)·KQA

3、·ZairwhereZair-1/(R·T)isthefugacitycapacityinair;T-correctedenvironmentaltemperatureforannualmeanof90C;R-gasconstant=8.314Pa·m3/molK;Particlesinairvolumefraction-2·10-11;Koa=Kow/Kaw-51616649forPCB153attheaveragedambienttemperatureT;Averagedambienttemperature=9°C(basetemperature).CliMoC

4、hemcitedfrom[Scheringeretal.,2003]Thegas/particlepartitioningiscalculatedasfollows[Finizioetal.,1997]:ThisequationisusedtocalculatethefractionPhi,whichindicatestheparticle-boundfractionofthesubstance.Phi-valuesrangefrom0-1.in(m3/g)ParameterDescriptionNumericvalueReferencetspTotalsuspen

5、dedparticles86.10-6g/m3Bennettetal.[2001]onlymentionedPhiparticle-boundfractionofsubstancebetween0-1KhHenry’slawconstantdependingonsubstance,SeeChapter3andAnnexBKowOctanol/waterpartitioningcoefficientdependingonsubstance,SeeChapter3andAnnexB精彩文档实用标准文案G-CIEMSWhenKoaisnotavailableasinput

6、:Kqa=6·106/Pls,whereKqaisdimensionlessparticle/gaspartitioncoefficientandPlsisliquidvapourpressure.FinalpartitioningiscalculatedwithTSPanddensityofaerosolparticlesinfugacityformat.Vapourpressureistemperaturecorrectedwhenthetemperatureisdifferentfrom25°C.WhenKoaisavailableasinput:Kqa=y·

7、Koa/(r/1000),where,Kqaisdimensionlessparticle/gaspartitioncoefficient,yisorganicmattermassfraction,andristhedensityofaerosolparticles.(Note:G-CIEMSmodelcancalculateV/Ppartitioningfromonlymolecularweight(forpreliminaryassessmentpurpose)orfromKoa.Twooutput1and2ispresentedinChapter4asG-