F.Zhangetal./ProceedingsoftheCombustionInstitute33(2011)3151–3158

Table1

InitialconditionsofCH3OH/O2/Armixturesinashock-tube.

CH3OH(%)

MixtureMixtureMixtureMixture

1234

2.0010.751

O2(%)4.0021.501

Ar(%)94.0097.0097.7598.00

Pressure(atm)1.453.254.153.1

3153

Table2

InitialconditionsofCH3OH/O2/N2mixturesin ow-reactors.T(K)10001030949

P(atm)112.5

U1.61.220.83

CH3OH0.007350.009430.00333

O20.0068910.0115940.006018

N20.9857590.9789760.990652

constantvolumesystem.Theinterestparameterofshock-tubedataisignitiondelaytimes.Itisde nedasthetimeintervalwhichtheproductofCO-andO-atomconcentrationsreachesthemax-imum.Table1showstheInitialconditionsofCH3OH/O2/Armixturesina3.8cmstainlesssteelshock-tubeperformedbyBowman[2].Allmen-tionedmixturesweremodeledandrepresentativeresultsformixturesofCH3OH/O2/ArconditionsareshowninFig.1.Itindicatesthereisanexcel-lentagreementbetweencomputedandexperimen-talvaluesofignitiondelaytimes.

Flow-reactorexperimentsessentiallybridgethegapbetweenstatic-reactorandshock-tubeexperi-mentsfortheunderstandinganddevelopmentofkineticschemes.Reactor-typeexperimentsprovideinformationforthelowandintermediatetempera-tureregimestypicallyintherangeof800–1200K.Adiabaticsolutionswereadoptedforthenumericalmodelingofthe ow-reactordata.Inthepresent

investigationthedataofAronowitzetal.[16],NortonandDryer[4],andHeldandDryer[17]foroxidationconditionsweresimulated.Theexperimentalconditionsof parisonsinFigs.2–4demonstratethatthecalculatedspeciesandtem-peraturepro lesareingenerallygoodagreementwiththespeciestimehistorymeasurementsin ow-reactors[16,4,17].Forallcases,thepredictedpeakvaluesandlocationsofCOareclosetotheexperimentaldata.CH2O,thekeyspeciesformeth-anoloxidation,alsohasagoodagreementbetweencomputedandexperimentalconcentrationpro les.However,thecomputedlevelofH2istoohigh.3.Methanol-gasolinemechanism

Themethanol-gasolineoxidationmechanismisanoxidationmechanismofgasolinesurrogatecombinedwiththemethanolmechanism.Thegasolinesurrogatemechanismwasformedwithiso-octane(IC8H18,iso-alkanerepresentative),