Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Biobutanol and n-propanol recovery using a low density phosphonium based ionic liquid at T = 298.15 K and p = 1 atm

Rabari, D.[Dharamashi], Banerjee, T.[Tamal]
Fluid Phase Equilib. 2013, 355, 26-33
ABSTRACT
In this work, a phosphonium based ionic liquid (IL) trihexyl(tetradecyl) phosphonium bis(2,4,4- trimethylpentyl) phosphinate ([TDTHP] [Phosph]) has been used for the recovery of 1-propanol and 1-butanol. The hydrophobic IL having density (0.895 gm/cm3) lower than water has been specially chosen to recover alcohol from water. A type II ternary diagram with a large immiscible region was observed at T = 298.15 K and p = 1 atm. High values of selectivity ranging from 53 to 252 and 80 to 305 were observed for 1-propanol and 1-butanol, respectively. The distribution coefficient is greater than unity which indicates easier diffusion of solute from aqueous phase to extract phase. Hence less solvent (IL) is required for separation of specific amount of alcohol from water. The NMR spectra pointed out to the fact that the aqueous rich phase was free of IL and contains high percentage (~92% mol) water. NRTL and UNIQUAC models show deviation (RMSD) in the range of 0.1C0.5% for both the systems.
Compounds
# Formula Name
1 C3H8O propan-1-ol
2 C4H10O butan-1-ol
3 C48H102O2P2 trihexyltetradecylphosphonium bis(2,4,4-trimethylpentyl)phosphinate
4 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
  • 1
  • 4
  • 3
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 8
  • POMD
  • 2
  • 4
  • 3
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 8