Interfacial behaviour of substituted dibenzothiophenes for their extraction in biphasic dodecane-ionic liquid systems

• Published in: Chemical physics 2018-07, Vol.511, p.54-62
• Main Authors: Singh, Meena B., Chheda, Saumil P., Reddy, Revathi D., Haria, Labdhi K., Vaidya, Sonali M., Gaikar, Vilas G.
• Format: Article
• Language: English
• Subjects: Desulfurization; Dimethyl dibenzothiophene (DMDBT); Extraction mechanism; Ionic liquids; Methyldibenzothiophene (MDBT); Molecular Dynamics (MD) simulation
• ISSN: 0301-0104
• DOI: 10.1016/j.chemphys.2018.06.001

[Display omitted] •Biphasic extraction of substituted dibenzothiophenes by ionic liquids is studied.•Molecular insight has been provided for the interactions at the interface.•Rate of extraction of organosulfur compounds depends on size of species.•MDBT shows a higher mass transfer rate than DMDBT in the biphasic system. Deep desulfurization of fuels by using ionic liquids (ILs) has gained notable attention and has been a subject of concern. This study aims at the extraction tendencies of two alkylated derivatives of an aromatic sulfur compound, 4-Methyldibenzothiophene (MDBT) and 4,6-Dimethyldibenzothiophene (DMDBT) from oil using four ILs namely, Ethylmethylimidazolium tetrafluoroborate [EMIM][TFB], Butylmethylimidazolium tetrafluoroborate [BMIM][TFB], Ethylmethylimidazolium thiocyanate [EMIM][SCN], Butylmethylimidazolium thiocyanate [BMIM][SCN] via molecular dynamics simulation. A interfacial phenomena of extraction pathway of MDBT and DMDBT in biphasic system of dodecane and ILs was studied at molecular level. The transfer of sulfur compounds during the extraction processes, were observed to be controlled by type of IL as well as sulfur compound and interfacial resistance. This study will also help in selecting an appropriate IL as an extractant and improving the process conditions.