Desulfurization of Dibenzothiophene from Model Diesel Fuel Using Experimental and Theoretical (Dft) Approaches

• DOI: 10.2139/ssrn.4155203
• Publication Date: 2022-07-10T10:55:36Z
• Authors: Zhuoyi Ren; Ben Bin Xu; Jiangfeng Sheng; Qibin Yuan; Wenshuai Zhu; Chunyan Dai; Xuying Nan; Zai-Feng Shi; Linhua Zhu
• Keywords: Dibenzothiophene; Ultra-low-sulfur diesel

The combustion of coal and oil produces a large amount sulfur dioxide (SO 2 ) emitting into the atmosphere, which is main cause air pollution. Herein, series novel imidazole-based heteropolyacid catalysts prepared by one-pot method for multiphase deep oxidative desulfurization fuel via peroxide oxidation are reported. experimental results show that rate can be as high 99.9% under mild conditions. catalyst was found to have good recovery performance removal could still reach 97.7 % after recycling seven times. In addition, structure-function relationship catalyzed with phosphotungstic acid (HPW) (HPW-VIM) investigated density functional theory (DFT) in detail. calculated potential energy profiles ODS process different conditions presented unraveling great effects HPW-VIM on desulfurization.