Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibria for ternary mixtures of water + 2-propanol + 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids at 298.15 K

Liu, W.[Wei], Zhang, Z.[Zhen], Ri, Y.[Yongsaeng], Xu, X.[Xicai], Wang, Y.[Yinglong]
Fluid Phase Equilib. 2016, 412, 205-210
ABSTRACT
Ternary liquid-liquid equilibria for three systems of water + 2-propanol + 1-hexyl-3- methylimidazolium bis(trifluoromethylsulfonyl)imide ([Hmim][NTf2]), 1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Omim][NTf2]), and 1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([Dmim][NTf2]) ionic liquids (ILs) have been determined at T = 298.15 K and atmospheric pressure. The solute distribution coefficient and the selectivity were calculated for all systems. Influence of ILs with different length of alkyl chain on the liquid-liquid equilibria was revealed. The nonrandom two liquid (NRTL) model was used to correlate ternary systems. Three ILs were studied to determine the parameters of structural volume (r) and surface area (q) by quantum chemistry approach. According to the calculated values of r and q, the universal quasichemical (UNIQUAC) model was also applied to correlate three ternary systems. The results show that both NRTL and UNIQUAC models are capable of correlating the studied systems with reasonable accuracy.
Compounds
# Formula Name
1 C3H8O propan-2-ol
2 H2O water
3 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
4 C14H23F6N3O4S2 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
5 C16H27F6N3O4S2 1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide
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
  • 1
  • 2
  • 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1