Abstract: Gallium atoms had been introduced into the framework of Y zeolite by treatment of zeolites with an aqueous solution of ammonium hexafluoro gallate. At ambient conditions and space velocity of 7 h−1, desulfurization of various model fuel, containing about 500 μg•g−1 sulfur was studied over the synthesized Y zeolite. Every gram adsorbent could adsorb 7.7, 17.4, 14.5 mg sulfur from thiophene, tetrahydrothiophene, 4,6-dimethyldibenzothiophene (4,6-DMDBT), respectively. The charge on S atom of thiophene, 4,6-DMDBT, and tetrahydrothiophene, calculated by using density functional theory (DFT), were −0.159, −0.214, and −0.298 respectively, implying that the S—M bond between the adsorption site and thiophene was much weaker than that between the adsorption site and tetrahydrothiophene or 4,6-DMDBT. The synthesized Y zeolites were evaluated for the adsorptive desulfurization of the FCC gasoline (sulfur content：299 μg•g−1) supplied by the No.2 Refinery in Fushun. After 2.1 mL gasoline being treated in one gram adsorbent, the sulfur content was 54.8 μg•g-1.

Key words: Isomorphous substitution, Heteroatom Zeolite, Adsorption desulfurization, Model Fuel, DFT