Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibrium of the ternary system water + acetic acid + sec-butyl acetate

Hu, S.[Song], Chen, Q.-l.[Qing-lin], Zhang, B.-j.[Bing-jian], Liang, Y.-l.[Yuan-lan], Gao, X.-n.[Xue-nong]
Fluid Phase Equilib. 2010, 293, 1, 73-78
ABSTRACT
Experimental liquid liquid equilibrium (LLE) of the water-acetic acid-sec-butyl acetate ternary system was investigated at 298.15, 303.15, 308.15 and 313.15 K and at atmospheric pressure. Separation factors were also evaluated for the immiscibility region. The NRTL and UNIQUAC models were applied to fit the experimental data for the ternary system. The binary interaction parameters obtained from both models were found to be successfully correlated with the equilibrium compositions. The UNIFAC group contribution method was employed to predict the observed ternary LLE data. It was found that four types of the UNIFAC model (UNIFAC, UNIFAC-LL, UNIFAC-DMD, and UNIFAC-LBY) did not provide a good prediction of the LLE data for this ternary system.
Compounds
# Formula Name
1 H2O water
2 C2H4O2 acetic acid
3 C6H12O2 1-methylpropyl ethanoate
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
  • 2
  • 3
  • 1
  • 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
  • 32