Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Capability study of 1-butyl-3- methylimidazolium bis(trifluoromethylsulfonyl)imide and trihexyl(tetradecyl)phosphonium bis(2,4,4-trimethylpentyl)phosphinate as solvents in the separation of 1-propanol from water

Cumplido, M. P.[Ma Pilar], Chafer, A.[Amparo], de la Torre, J.[Javier], Quimica, E. L. D. d. I.[Estela Lladosa Departamento de Ingenieria], de Ingenieria, E. T. S.[Escuela Tecnica Superior]
Fluid Phase Equilib. 2018, 469, 1-8
ABSTRACT
The liquid-liquid equilibria of the ternary systems water (1) + 1-propanol (2) + 1- butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim][Tf2N]) (3) and water (1) + 1-propanol (2) + trihexyl(tetradecyl)phosphonium bis(2,4,4- trimethylpentyl)phosphinate ([TDTHP][Phosph]) (3) at 283.2, 303.2 and 323.2 K and atmospheric pressure were determined to study their behavior, determine their thermodynamic parameters and know the capability as solvents of [bmim][Tf2N] and [TDTHP][Phosph] in the separation of the azeotropic mixture water + 1-propanol. The non-random two-liquid (NRTL) and universal quasichemical (UNIQUAC) models were used in the calculation of the thermodynamic parameter with great results (the maximum root-mean-square deviation was 0.70%). The capability of both ionic liquids was studied through distribution coefficient and selectivity and was compared with the results obtained with other ionic liquids studied before by our research group.
Compounds
# Formula Name
1 H2O water
2 C3H8O propan-1-ol
3 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
4 C48H102O2P2 trihexyltetradecylphosphonium bis(2,4,4-trimethylpentyl)phosphinate
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 - 2 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 19
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 21
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 1
  • Chromatography
  • 3