Typical ion-exchanged modified Y zeolites (AgY and CeY) were prepared for sulfur removal. The adsorption and desorption behavior of typical sulfur and hydrocarbon molecules in various Y zeolites has been investigated by the adsorption breakthrough and on site solvent washing experiments, as well as computer simulation. Breakthrough experiments showed that the adsorption capacity for thiophenic sulfur increased for the studied adsorbents as follows: CeY>AgY>NaY. The higher initial sulfur concentration accelerated the appearance of breakthrough, and the outlet sulfur concentration, in all cases, cannot reach the corresponding initial sulfur level. The concentration profile of washing solvent during desorption process showed that most of the sulfur compounds could be recovered at initial desorption stage. The desorption rates of typical Y zeolites follow the order: NaY>AgY>CeY, which is the reverse as that found in adsorption capacity. The distinct adsorption and desorption behavior of CeY, AgY, and NaY zeolites was markedly related with their various binding force (S–M coordination, π-complexation, and Van der Waals force) with sulfur compounds. The adsorption isotherms and density distribution snapshots study by computer simulation confirmed the preferential adsorption of thiophenic sulfur.
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