To verify the reliability of ionic liquids' molecular design method based on COSMO-SAC model

ionic liquids desulfurization mechanism analysis and experimental results are compared with COSMO simulation. By analyzing[HMIM] [BF4]

[HMIM] [PF6]

[BMIM] [BF4]

[BMIM] [PF6]

[EMIM] [BF4] and[EMIM] [PF6] on mechanism level

[HMIM] [PF6] was considered as a better extractive desulfurization agent than others

and the order of desulfurization efficiency was consistent with the calculation results from COSMO-SAC model. The experimental result shows that the difference between the COSMO simulation and experiments is not significant. In this study

[HMIM] [PF6] was used as an extractive desulfurization agent to remove benzothiophene from fuels

and the change of sulfur content in model oil was determined by liquid chromatography. Through considering the effect of extraction temperature

time and the ratio of solvent to oil

the optimal operating conditions

20℃

40 min and 2:1 respectively

were determined in orthogonal experiment with an efficiency over 72.74%. With[HMIM] [PF6] used as the deep extraction desulfurization solvent

the sulfur content decreased from 1200 μg·g-1 to 6.98 μg·g-1 by 4-stages extraction

which met the Phase Ⅴ Emission Standards in China.