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This article describes two kinds of model oil samples made of a benzothiophene/octane mixture and a 2-methylthiophene/octane mixture.Furthermore,this paper investigates the oxidative desulfurization selectivity and reaction efficiency when Ce4+ compound and H2O2 having identical electron equivalent weight were used as oxidants.The test results showed that the two kinds of oxidants were more effective to remove benzothiophene in the model oil samples.For oxidative desulfurization of 2-methylthiophene,Ce4+ compound was obviously superior than H2O2.This paper by means of quantum chemistry analyses elaborates the complex formed between Ce4+ species and 2-methylthiophene and FT-IR spectrograms of model oil samples before and after oxidation by Ce4+ compound and H2O2,respectively.The results demonstrated that Ce4+ compound could remove sulfur compounds not only through oxidation reaction but also through complexation reaction.