Abstract
In this research, N-butyl-pyridinium tetrafluoroborate ([BPy][BF4]) ionic liquid (IL) was synthesized and characterized by 1H-NMR, 13C-NMR, and FT-IR spectroscopy. The synthesized ionic liquid was employed as an extractive agent for the removal of dibenzothiophene (DBT), a typical organosulfur pollutant from the organic medium. The effect of extractive desulfurization on a model fuel with DBT was investigated. The impact of operating parameters, i.e., temperature, extraction time, IL-to-fuel ratio, and fuel to oxidizing agent ratio, on the extraction efficiency was investigated. It was observed that the IL to model fuel ratio and the H2O2 dosage have significant effects on desulfurization efficiency. An 89.49% DBT removal efficiency was obtained at a temperature of 30 °C after 35 min of extraction when the volume ratio of IL:model fuel:H2O2 was 1:1:0.04. A density functional theory (DFT) study was carried out to investigate the interactions between the IL and the sulfur-containing compounds DBT/DBTO2.