A theoretical study using quantum chemistry and molecular dynamics methods is reported on the properties of deep eutectic solvent prepared by tetrabutylammonium bromide and formic acid regarding to oil desulfurization. The objective of the work is to obtain molecular level insights on the mechanisms of extractive desulfuration by deep eutectic solvents for designing suitable processes for deep desulfuration purposes. This paper is featured and highlighted in Energy & Fuels website in October 2018.(Access full paper from here)
