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Quantum Chemical Evaluation of Deep Eutectic Solvents for the Extractive Desulfurization of Fuel

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Sulfur compounds in fuels are converted to SOx during combustion, poisoning automotive catalytic converters and creating serious environmental concerns (e.g., acid rain). The efficient desulfurization of liquid fuel is thus… Click to show full abstract

Sulfur compounds in fuels are converted to SOx during combustion, poisoning automotive catalytic converters and creating serious environmental concerns (e.g., acid rain). The efficient desulfurization of liquid fuel is thus a critical step toward minimizing SOx emissions and their associated environmental impact. To address this problem, governments worldwide have passed stringent legislation regulating the maximal sulfur levels allowable in fuels. In the petroleum refining industry, the conventional method for removing sulfur from fuel is catalytic hydrodesulfurization which, while highly efficient for removing mercaptans, thioethers, and disulfides, shows limited performance in removing aromatic organosulfur compounds exemplified by dibenzothiophene. To meet these strict environmental targets, innovative strategies beyond hydrodesulfurization for the deep desulfurization of fuel are sought. One key strategy entails the oxidation of refractory organosulfur compounds in liquid fuel, coupled with efficient...

Keywords: desulfurization; quantum chemical; desulfurization fuel; chemical evaluation; fuel; evaluation deep

Journal Title: ACS Sustainable Chemistry & Engineering
Year Published: 2018

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