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

Isobaric Vapor Liquid Liquid Phase Equilibria Measurements of Three Ternary Water + 2-Butanone + Aliphatic Alcohol (Ethanol, 1-Propanol, 2-Propanol) Systems at 101.3 kPa

Brits, L.[Leanne], Kouakou, A. C., Burger, A. J.[Andries J.], Schwarz, C. E.[Cara E.]
J. Chem. Eng. Data 2017, 62, 6, 1767-1775
ABSTRACT
Vapor-liquid-liquid equilibrium (VLLE) data were measured for the ternary systems water + 2-butanone + alcohol at 101.3 kPa by means of a Gillespie type still equipped with an ultrasonic homogenizer. VLLE were observed in the temperature ranges of (346.65 to 346.79) K, (346.74 to 352.70) K and (346.52 to 346.75) K for the water + 2-butanone + ethanol, water + 2- butanone + 1-propanol and water + 2-butanone + 2-propanol systems, respectively. For all three systems a region of liquid-liquid immiscibility was observed and the vapor phase compositions were outside the liquid-liquid phase envelope. The absence of ternary heterogeneous azeotropes was thus established. The non-random two-liquid (NRTL), universal quasichemical (UNIQUAC) and universal functional (UNIFAC) activity coefficient models were used for comparison with experimental results. The parameters were fitted to the binary subsystems vapor-liquid and liquid-liquid equilibrium experimental data. While correct estimations of experimental vapor phase trends were obtained, all three activity coefficient models failed to provide a fair description of the size of the heterogeneous region. Overall, the thermodynamic modeling results were poor, emphasizing the need for experimental data and application of advanced thermodynamic models.
Compounds
# Formula Name
1 C2H6O ethanol
2 C3H8O propan-1-ol
3 C3H8O propan-2-ol
4 C4H10O butan-1-ol
5 C4H8O butanone
6 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
  • 6
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 4 ; Gas
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • 7
  • POMD
  • 1
  • 5
  • 6
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 5 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • 22
  • POMD
  • 2
  • 5
  • 6
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 5 ; Gas
  • Mole fraction - 2 ; Gas
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • 18
  • POMD
  • 3
  • 5
  • 6
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 5 ; Gas
  • Mole fraction - 3 ; Gas
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • Chromatography
  • 24
  • POMD
  • 4
  • 6
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Chromatography
  • 1
  • POMD
  • 4
  • 6
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid mixture 1
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 4
  • 6
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • 1
  • POMD
  • 4
  • 6
  • Mole fraction - 4 ; Gas
  • Temperature, K; Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 5
  • 6
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Chromatography
  • 1
  • POMD
  • 5
  • 6
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid mixture 1
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 5
  • 6
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • 1
  • POMD
  • 5
  • 6
  • Mole fraction - 5 ; Gas
  • Temperature, K; Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 5
  • 6
  • Azeotropic temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 5
  • 6
  • Azeotropic pressure, kPa ; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 6
  • Azeotropic temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 6
  • Azeotropic pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1