摘要
MoleculardynamicssimulationusingauniversalforcefieldhasbeenemployedtodeterminethediffusioncoefficientsofO2andNa2SO4vaporintoB2O3andSiCfrom700Kto1273K,respectively.Einsteindiffusionwasobservedina250～300pssimulation.ThediffusioncoefficientfortheO2rangefromabout9.279×10-9cm2/sforB2O3to2.275×10-10cm2/sforSiCataloadingof32moleculespersimulationbox,thatfortheNa2SO4vaporrangefromabout9.888×10-7cm2/sforB2O3to1.837×10-10cm2/sforSiCataloadingof8moleculespersimulationbox.EnvironmentpropertiesofC/SiCcompositewillbeincreasedviatheB2O3preventingthediffusionofO2andNa2SO4vaporintothepyrolyticinterphaseandcarbonfibers.
出版日期
2003年09月17日（中国期刊网平台首次上网日期，不代表论文的发表时间）
