Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibria study of (ionic liquid + water) binary mixtures

Krolikowska, M.[Marta], Karpinska, M.[Monika], Zawadzki, M.[Maciej]
Fluid Phase Equilib. 2013, 354, 66-74
ABSTRACT
The (solid + liquid) and (liquid + liquid) phase equilibria for 10 (ionic liquid + water) binary mixtures havebeen determined by a dynamic method at a wide temperature range at atmospheric pressure.The mutual immiscibility with an upper critical solution temperature (UCST) for the binarysystems {4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate, or 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)imide, or 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate, or 1-(2-methoxy-ethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide, or 1-(2-methoxyethyl)-1-methylpyrrolidiniumbis(trifluoromethylsulfonyl)imide, or 4-(2-methoxyethyl)-4-methylpyrrolidinium trifluo-rotris(perfluoroethyl)phosphate (1) + water (2)} were detected. Complete miscibility in the liquidphase, over the whole range of ionic liquid mole fraction, was observed for the binary mixtures con-taining: 1-butyl-1-methylpiperidinium dicyanamide, or 1-butyl-1-methylpyrrolidinium dicyanamide,or 1-butyl-4-methylpyridinium dicyanamide, or 1-butyl-4-methylpyridinium thiocyanate.For the tested binary systems with immiscibility gap the parameters of the LLE correlation have beenderived using the NRTL equation. The (solid + liquid) phase equilibria have been correlated by means ofNRTL, UNIQUAC and Wilson equations and compared to the literature data for different ionic liquids. Theinfluence of the ionic liquid structure on water solubility was discussed.
Compounds
# Formula Name
1 C14H18F18NO2P 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate
2 C10H18F6N2O6S2 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)amide
3 C15H20F18NOP 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate
4 C11H20F6N2O5S2 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
5 C10H18F6N2O5S2 1-(2-methoxyethyl)-1-methylpyrrolidinium bis((trifluoromethyl)sulfonyl)amide
6 C14H18F18NOP 1-(2-methoxyethyl)-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate
7 C12H22N4 1-butyl-1-methylpiperidinium dicyanamide
8 C11H20N4 1-butyl-1-methylpyrrolidinium dicyanamide
9 C12H16N4 1-butyl-4-methylpyridinium dicyanamide
10 C11H16N2S 1-butyl-4-methylpyridinium thiocyanate
11 H2O water
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
  • 11
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 10
  • POMD
  • 11
  • 2
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 18
  • POMD
  • 11
  • 3
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 7
  • POMD
  • 11
  • 4
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 11
  • POMD
  • 11
  • 6
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 6
  • POMD
  • 11
  • 5
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 15
  • POMD
  • 11
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Crystal - 7
  • Liquid
  • Crystal - 7
  • VISOBS
  • 10
  • POMD
  • 11
  • 8
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Crystal - 8
  • Liquid
  • Crystal - 8
  • VISOBS
  • 13
  • POMD
  • 11
  • 9
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 9; Liquid
  • Pressure, kPa; Crystal - 9
  • Liquid
  • Crystal - 9
  • VISOBS
  • 25
  • POMD
  • 11
  • 10
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 10; Liquid
  • Pressure, kPa; Crystal - 10
  • Liquid
  • Crystal - 10
  • VISOBS
  • 25