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<p>In this study, triethylene diamine bromide ionic liquids [C<sub>n</sub>DABCO] Br (n = 4, 6, 8, 12) were prepared to remove the DBT, BT, and TS in diesel fuel oils. The results show that the desulfurization efficiency of [C<sub>8</sub>DABCO] Br is higher than that of [C<sub>4</sub>DABCO] Br, [C<sub>6</sub>DABCO] Br, and [C<sub>12</sub>DABCO] Br. The effect of temperature, the mass ratio of ILs/model oil and extraction time on desulfurization efficiency of [C<sub>8</sub>DABCO] Br was studied to seek the optimal desulfurization process parameters. Following a multistage extraction procedure, the deep desulfurization efficiencies of the three thiophene sulfides were greater than 99%. Regeneration experiments of thiophene sulfurs removal by [C<sub>8</sub>DABCO] Br were conducted under the optimized conditions. The results demonstrate that desulfurization efficiency for DBT, BT, and TS by [C<sub>8</sub>DABCO] Br remains consistently high, signifying the stability and reliability of the [C<sub>8</sub>DABCO] Br in the process. Meanwhile, quantum chemical calculations elucidate the potential desulfurization mechanism: on one hand, van der Waals force attract the sulfides to the ILs, on the other hand, the sulfide molecules are polarized by the ILs, leading to the establishment of robust dipole–dipole interactions.</p>

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Experimental and Theoretical Studies on Extractive Desulfurization of Thiophene Sulfides in Fuel Oil by Triethylenediamine-Based Ionic Liquids

  • 期刊论文

  • 发表日期：

    2025年10月7日

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  • Pei Yao,
  • Jiale Zhang,
  • Entian Li,
  • Yuying Wang,
  • Ran Cheng

摘要

In this study, triethylene diamine bromide ionic liquids [CnDABCO] Br (n = 4, 6, 8, 12) were prepared to remove the DBT, BT, and TS in diesel fuel oils. The results show that the desulfurization efficiency of [C8DABCO] Br is higher than that of [C4DABCO] Br, [C6DABCO] Br, and [C12DABCO] Br. The effect of temperature, the mass ratio of ILs/model oil and extraction time on desulfurization efficiency of [C8DABCO] Br was studied to seek the optimal desulfurization process parameters. Following a multistage extraction procedure, the deep desulfurization efficiencies of the three thiophene sulfides were greater than 99%. Regeneration experiments of thiophene sulfurs removal by [C8DABCO] Br were conducted under the optimized conditions. The results demonstrate that desulfurization efficiency for DBT, BT, and TS by [C8DABCO] Br remains consistently high, signifying the stability and reliability of the [C8DABCO] Br in the process. Meanwhile, quantum chemical calculations elucidate the potential desulfurization mechanism: on one hand, van der Waals force attract the sulfides to the ILs, on the other hand, the sulfide molecules are polarized by the ILs, leading to the establishment of robust dipole–dipole interactions.