Abstract
Gallium atoms have been introduced into the framework of Y zeolite by treating the zeolite with an aqueous solution of ammonium hexafluoro gallate. Desulfurization of various model fuels containing about 500 μg/g sulfur were studied over the synthesized Y zeolite ([Ga]AlY) with a liquid hourly space velocity of 7.2 h−1 at ambient conditions. The sulfur adsorption capacity was 7.0, 14.5, and 17.4 mg(S)/g adsorbent for thiophene, 4,6-dimethyldibenzothiophene (4,6-DMDBT), and tetrahydrothiophene (THT), respectively. The charges on S atom in thiophene, 4,6-DMDBT and THT, calculated by using density functional theory (DFT), are −0.159, −0.214 and −0.298, respectively, implying that the S–M bond between the adsorption sites and thiophene is much weaker than that between the adsorption sites and THT or 4,6-DMDBT.
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