Deep oxidative desulfurization with task-specific ionic liquids: An experimental and computational study

作者：Gui Jianzhou^*; Liu Dan; Sun Zhaolin; Liu Daosheng; Min Dayoung; Song Busub; Peng Xilai

来源：Journal of Molecular Catalysis A: Chemical , 2010, 331(1-2): 64-70.

DOI：10.1016/j.molcata.2010.08.003

• Task-specific ionic liquid
• Oxidative desulfurization
• Model diesel
• DFT

A series of task-specific acidic ionic liquids (TSILs), immiscible with oil, halogen-free and containing -COOH group in the cations, were used for oxidative desulfurization as both the catalyst and extractant. The removal of dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (4,6-DMDBT) from model diesel at 298 K could reach 96.7% and 95.1%, respectively. The TSIL could be recycled 5 times without any apparent loss of the catalytic activity. Meanwhile, the structures, acidities and interactions between the cation and the anion of TSILs have been investigated by density functional theory (DFT) method, and found that catalytic properties of TSILs are close related to the structures, acidities and extraction capabilities. Furthermore, an oxidative desulfurization mechanism has been proposed.

• 出版日期2010-10-1
• 单位辽宁石油化工大学