Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Novel liquid-liquid equilibrium data for six ternary systems containing IL, hydrocarbon and thiophene at 25 C

Mafi, M.[Morteza], Dehghani, M. R.[Mohammad Reza], Mokhtarani, B.[Babak]
Fluid Phase Equilib. 2016, 412, 21-28
ABSTRACT
Ionic Liquids (IL's) are now considered as useful alternative solvent for the desulfurization of gasoline and diesel oils by liquideliquid extraction. In this work, 1-hexyl-3-methylimidazolium thiocyanate([Hmim] [SCN]) and 1-octyl-3-methylimidazolium thiocyanate([Omim][SCN]) as ionic liquids were investigated as model solvents for removal of thiophene from some aliphatic hydrocarbons (n-hexane, n-octane and n-decane) as fuel model. Liquid-liquid phase equilibrium data were measured for ternary systems containing one ionic liquid as solvent, thiophene as sulfur component and one aliphatic hydrocarbon as fuel model at 298.15 K under ambient pressure. It was found that the IL with lower molecular weight of cation has higher selectivity but lower solute distribution coefficients. Besides, the experimental data demonstrates that the selectivity increases as alkane chain length of fuel model increases while the solubility of ionic liquids decreases, hence the costs of desulfurization process will be decreased. Our results show that for the case of [Hmim][SCN](1) + n-decane(2) + thiophene(3) the highest selectivity and lowest alkane solubility were obtained. In other words [Hmim][SCN] is a more suitable solvent than [Omim] [SCN] for desulfurization of higher alkane. Finally in order to find the model parameters, the nonrandom two liquid (NRTL) was used to correlate the experimental data. The results show the model can successfully correlate the experimental data.
Compounds
# Formula Name
1 C6H14 hexane
2 C8H18 octane
3 C10H22 decane
4 C4H4S thiophene
5 C11H19N3S 1-hexyl-3-methylimidazolium thiocyanate
6 C13H23N3S 1-methyl-3-octyl-1H-imidazolium thiocyanate
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 4
  • 1
  • 6
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 10
  • POMD
  • 4
  • 2
  • 6
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 13
  • POMD
  • 4
  • 3
  • 6
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 11
  • POMD
  • 4
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 14
  • POMD
  • 4
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 12
  • POMD
  • 4
  • 3
  • 5
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 10