Abstract
ByamendingtheSHOCKcodeintheFortranchemicalkineticspackage,CHEMKIN Ⅲ,a
computationalmodelwasbuiltfortheshockwave-inducedgasexplosioninashocktube.And,the
detailedreactionmechanismsinvolving53speciesand325reactionswereadoptedinthemodelabove.
Thebuiltcomputationalmodelwasusedtoanalyzetheevolvementsofthefollowingparameters:
mixedgastemperature,shockwavevelocity,themolefractionsofreactants(CH4andO2),themole
fractionsofactivecenters(O,H),andthemolefractionsofcatastrophicgases(CO,CO2,NOand
NO2)intheprocessofgasexplosioninducedbyshockwave.Furthermore,theeffectsoftheinitial
pressureandthemixedgascompositionbeforegasexplosiononthekineticcharacteristicsofgasexplosioninducedbyshockwavewerediscussed.
TheresultsshowthatthemolefractionsofCO,CO2,
NOandNO2areabout0.07,0.02,0.001and10-6,respectively,aftergasexplosion.WiththeincreaseoftheinitialpressureandthedecreaseoftheCH4fractioninthemixedgas,
thedetonationtime
ofgasexplosionshortens,thetemperaturedecreases,butthepressureincreasesaftergasexplosion.
Meanwhile,themolefractionofCOdecreases,themolefractionofNOincreases.