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Keywords
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Dynamic electroreduction, Benzothiophene, Model diesel, DFT calculation, Desulfurization
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Abstract
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In this paper, desulfurization of benzothiophene from model diesel fuel was investigated
experimentally using dynamic electroreduction method. Also based on possible reaction
pathway of benzothiophene electroreduction, the corresponding reduction potential was
calculated by Gibbs free energy of relative reaction derived from DFT calculation and
confirmed with experimental studies. This calculation revealed that the appropriate reduction
potential for direct desulfurization of benzothiophene to Styrene is ‒0.147 V.
Finally, bulk desulfurization of emulsified model-diesel was done at best operational
conditions (i.e., 0.3 V adsorption potential, ‒0.15 V reduction potential and frequency of 10
Hz). Initial and desulfurized fuels were analyzed with Fourier transform infrared
spectroscopy, and GC-MS analysis showed the styrene and dihydrobenzothiophene were
products of BT desulfurization. The total sulfur content was measured by the total elemental
sulfur analyzer which revealed that 23.3%, 38.4% and 48.2% of sulfur content was converted
to H2S after 4 h, 6 h, and 8 h respectively
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