Abstract

Semi-empirical molecular orbital theory and parametric model 3 methods were used to calculate the quantum chemistry properties of dibenzothiophene (DBT) and its corresponding sulfone compounds to investigate the essential theory of a formic acid/H2O2 oxidation desulfurization system. To study oxidation kinetics of the oxidation desulfurization reaction, DBT was also employed as a model compound to obtain the oxidation kinetic parameters. Desulfurization of fluid catalytic cracking (FCC) diesel was also performed in this process, and the sulfur content was reduced from 7,200 μg·g−1 to 598 μg·g−1 after being extracted by polyethylene glycol 200.

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