ie502672q_si_001.pdf (1.06 MB)
Dispersion of Asphaltenes in Petroleum with Ionic Liquids: Evaluation of Molecular Interactions in the Binary Mixture
journal contribution
posted on 2014-12-03, 00:00 authored by Adeniyi S. Ogunlaja, Eric Hosten, Zenixole R. TshentuIonic liquids containing imidazolium
cations 1-butyl-3-methylimidazolium
chloride, 1-butyl-3-methylimidazolium nitrate, and 1-methyl-1H-imidazol-3-ium-2-carboxybenzoate were successfully synthesized
and employed for the dispersion of asphaltenes in heavy oil, which
is becoming a necessity during oil recovery and transportation. Molecular
interaction studies indicated that 1-butyl-3-methylimidazolium chloride
displayed a small HOMO–LUMO energy gap, which best explains
its higher polarizability and reactivity as compared with 1-butyl-3-methylimidazolium
nitrate and 1-methyl-1H-imidazol-3-ium-2-carboxybenzoate.
Dispersion indices obtained from the experiments were in agreement
with the modeling studies. Maximum asphaltene dispersion indices (%)
of 78, 70, and 53 were obtained for 1-butyl-3-methylimidazolium chloride,1-butyl-3-methylimidazolium
nitrate, and 1-methyl-1H-imidazol-3-ium-2-carboxybenzoate,
respectively, when using an ionic liquid-to-asphaltenes molarity ratio
of 9:1. The excellent performance displayed by 1-butyl-3-methylimidazolium
chloride is based on the thermodynamic interaction energy and HOMO–LUMO
energy it holds.