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

Design of a Salt-Free Aqueous Two-Phase System Containing Butanol, n-Butylpyridine Dicyanamide, and Water: Equilibrium Data and Correlation

Xu, S.[Shuai], Zhu, Q.[Qi], Nie, T.[Tiantian], He, C.[Chong], Li, Y.[Yuliang], Lin, X.[Xuliang]
J. Chem. Eng. Data 2019, 64, 8, 3547-3555
ABSTRACT
Aqueous two-phase system containing ionic liquid, salt, and water have been widely used in extraction, but the salt used sometimes precipitate the salt out. The salt-free aqueous two-phase system is needed in this case. For this purpose, this paper studied the phase behavior of n-butylpyridine dicyanamide + isobutanol or n-butanol + water aqueous twophase systems and determined the tie lines at 303.15, 308.15, 313.15 and 323.15 K and 97 kPa. The solubility data were obtained using cloud point titration method, and three empirical equations which are nonlinear were used to fit it. The reliability of liquid-liquid equilibrium data was verified by fitting to the Bancroft equation and Othmer-Tobias equation. Moreover, the phase-forming ability was studied by the Setschenow-type equation. The NRTL model was used to correlate the tie lines data and RMSD was calculated to evaluate the fitting results. All the equations and model fit the experimental data very well. The graphical method was used to estimated critical point to clear the phase behavior. Furthermore, this study also found that the lower temperature is a benefit to separate into two phases.
Compounds
# Formula Name
1 C11H14N4 1-butylpyridinium dicyanamide
2 C4H10O butan-1-ol
3 H2O water
4 C4H10O 2-methyl-1-propanol
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
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 176
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 32
  • POMD
  • 1
  • 4
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 225
  • POMD
  • 1
  • 4
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 32
  • POMD
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 4
  • 3
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 2