Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Experimental and Theoretical Study of the Phase Equilibria in Ternary Aqueous Mixtures of 1,4-Butanediol with Alcohols at 298.2 K

Ghanadzadeh, A., Ghanadzadeh, H., Bahrpaima, K.[Khatereh]
J. Chem. Eng. Data 2009, 54, 3, 1009-1014
ABSTRACT
Ternary liquid-liquid equilibrium (LLE) data for the mixtures of water + 1,4-butanediol + organic solvent (cyclohexanol, 2-ethyl-1-hexanol, and 1-decanol) were determined at 298.2 K and atmospheric pressure. These three ternary systems exhibit type-1 behavior of LLE. The immiscibility region was found to be larger for the branched aliphatic alcohol, 2-ethyl-1-hexanol. The experimental ternary LLE data were correlated using the UNIQUAC and NRTL models, and the binary interaction parameters were obtained. The reliability of the experimental tie-line data was tested through the Othmer-Tobias and Bachman correlation equations. Distribution coefficients and separation factors were calculated to evaluate the extracting capability of the solvents. The LLE results show that 2-ethyl-1-hexanol may be considered to be a reliable organic solvent for the extraction of 1,4-butanediol from aqueous solutions.
Compounds
# Formula Name
1 H2O water
2 C4H10O2 1,4-butanediol
3 C8H18O 2-ethyl-1-hexanol
4 C10H22O decan-1-ol
5 C6H12O cyclohexanol
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
  • 3
  • 2
  • 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; 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
  • Chromatography
  • Chromatography
  • Chromatography
  • 5
  • POMD
  • 2
  • 4
  • 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; 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
  • Chromatography
  • Chromatography
  • Chromatography
  • 5
  • POMD
  • 5
  • 2
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 5