Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Separation of azeotropic mixtures using high ionicity ionic liquid based on 1-ethyl-3- methylimidazolium thiocyanate

Bastos, P. D. A.[Pedro D. A.], Oliveira, F. S.[Filipe S.], Rebelo, L. P. N.[Luis P. N.], Pereiro, A. B.[Ana B.], Marrucho, I. M.[Isabel M.]
Fluid Phase Equilib. 2015, 389, 48-54
ABSTRACT
The separation of azeotropic mixtures, so that their components can be reused in productions cycles, is of particular interest in modern sustainable chemical plants. In the last decade, ionic liquids have shown to possess the ability to act as extraction solvents and have been emerging as a greener alternative to organic solvents in the separation of azeotropes. Recently, high ionicity ionic liquids (HIILs) have been developed through the addition of inorganic salts to an ionic liquid, as well as by mixing two or more ionic liquids. In this work, a high ionicity ionic liquid, prepared by mixing 0.1 of 1-ethyl-3- methylimidazolium thiocyanate ([C2MIM][SCN]) and 0.9 of [C2MIM][C2SO4] was used to separate the azeotrope ethanol + heptane. Liquid-liquid equilibria for the two ternary systems: ethanol + heptane + [C2MIM][SCN] and ethanol + heptane + HIIL was measured at 298.15 K and 0.1 MPa. Both the selectivity and the distribution coefficient were used in the assessment of the extraction solvent feasibility and a correlation of these parameters with the ionicity of the solvent was established.
Compounds
# Formula Name
1 C7H11N3S 1-ethyl-3-methylimidazolium thiocyanate
2 C8H16N2O4S 1-ethyl-3-methylimidazolium ethyl sulfate
3 C8H11N5 1-ethyl-3-methylimidazolium dicyanamide
4 C7H16 heptane
5 C2H6O ethanol
6 CH4N2S ammonium isothiocyanate
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
  • 5
  • 4
  • 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 7
  • POMD
  • 5
  • 4
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 34
  • POMD
  • 5
  • 4
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 34
  • POMD
  • 5
  • 4
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • visual
  • 34
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 60
  • POMD
  • 1
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 60
  • POMD
  • 1
  • 3
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 30
  • POMD
  • 1
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 96
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 96
  • POMD
  • 1
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 48
  • POMD
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 48
  • POMD
  • 6
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Concentric cylinders viscometry
  • 48
  • POMD
  • 6
  • 1
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 24