Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibrium for ternary systems, methyl isobutyl ketone +(catechol, resorcinol and hydroquinone) + water at 333.15 K, 343.15 K and 353.15 K

Chen, Y.[Yun], Wang, H.[Huimin], Lv, R.[Ran], Li, L.[Libo]
Fluid Phase Equilib. 2017, 433, 206-211
ABSTRACT
Liquid-liquid equilibrium (LLE) data are vital to extraction process design and optimization. To provide fundamental data for the extracting process of dihydric phenol from wastewater, experimental liquid-liquid equilibrium data for ternary systems {methyl isobutyl ketone + catechol + water}, {methyl isobutyl ketone + resorcinol + water} and {methyl isobutyl ketone + hydroquinone + water} were determined at 333.15 K, 343.15 K and 353.15 K under atomospheric pressure. The NRTL and UNIQUAC models were used to correlate the experimental data and relevant binary interaction parameters were yielded. The experimental data were successfully correlated with the two models, and the root mean square deviations RMSD) between the calculated and experimental values were less than 2%. Moreover, NRTL model performed slightly better than UNIQUAC model since the RMSD was smaller. Distribution coefficient and selectivity were employed to assess methyl isobutyl ketone s extraction capacity, which indicate that, methyl isobutyl ketone is a desirable extractant with extraction performance and physiochemical properties outperforming other extractants.
Compounds
# Formula Name
1 C6H12O 4-methylpentan-2-one
2 C6H6O2 1,2-benzenediol
3 H2O water
4 C6H6O2 1,3-benzenediol
5 C6H6O2 1,4-benzenediol
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
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 30
  • POMD
  • 1
  • 4
  • 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 30
  • POMD
  • 1
  • 5
  • 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 30
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3