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

Liquid-Liquid Equilibria Determination and Prediction for Ternary Systems of Water + 1,6-Hexanediamine + (1-Butanol or 1-Pentanol) at 298.2, 308.2, and 318.2 K

Li, Huanxin, Zhang, Junwei, Dou, Yonghui, Xu, Li, Liu, Guoji
J. Chem. Eng. Data 2018, 63, 1, 89-94
ABSTRACT
Data of liquid-liquid equilibria for water+1,6-Hexanediamine+1-butanol and water+1,6-Hexanediamine+1-pentanol ternary systems were determined at T= (298.2, 308.2 and 318.2) K under atmospheric pressure. The distribution coefficients and selectivity factors calculated from LLE data were applied to evaluate the feasibility and effectiveness of extracting 1,6-Hexanediamine from the aqueous solution. The results showed that the selectivity factors decrease with the amount of 1,6-Hexanediamine increasing in aqueous phase and the effect of temperature is insignificant in this study. The NRTL and UNIQUAC activity coefficient models were also applied to regress the experimental equilibrium data of the two ternary systems and the RMSD values between the correlated and experimental results were lower than 0.7%. It turned out that these phase equilibrium behaviors can be described by the two models. Meanwhile, the binary model parameters were acquired from the relevant process simulations.
Compounds
# Formula Name
1 C6H16N2 1,6-hexanediamine
2 C4H10O butan-1-ol
3 C5H12O pentan-1-ol
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
  • 4
  • 1
  • 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 35
  • POMD
  • 4
  • 1
  • 3
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 34