Thermodynamics Research Center, ThermoML : Journal of Chemical and Engineering Data

Measurements and Thermodynamic Modeling of Liquid-Liquid Equilibria Data for the Ternary (Methyl Propyl Ketone + Catechol/Resorcinol/Hydroquinone + Water) Systems

Chen, Z.[Zehao], Jiang, M.[Meiling], Chen, Y.[Yun], Wang, Y.[Youchang]
J. Chem. Eng. Data 2019, 64, 12, 5497-5509
ABSTRACT
The extraction efficiency of the solvent on the polyphenols greatly determines whether the phenol-containing wastewater can be handled well. In this work, liquid-liquid equilibrium (LLE) data for the mixture of pentan-2-one + benzene-1,2-diol/benzene-1,3-diol/benzene-1,4-diol + water were determined at 333.15 K, 343.15 K and 353.15 K under 101.3kPa. Distribution coefficients and selectivity factors were calculated to evaluate the extraction efficiency of polyphenols from wastewater. The reliability of the LLE data was verified by the Hand and Bachman equations. The thermodynamic NRTL and UNIQUAC models were successfully applied to regress and correlate the experimental LLE data of the studied systems. And the root-meansquare deviation of both models are less than 0.0060. The experimental results indicate that pentan-2-one is a suitable extractant for removal of polyphenols from wastewater.
Compounds
# Formula Name
1 C6H6O2 1,2-benzenediol
2 C6H6O2 1,3-benzenediol
3 C6H6O2 1,4-benzenediol
4 C5H10O pentan-2-one
5 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
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 27
  • POMD
  • 4
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 27
  • POMD
  • 4
  • 3
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 27
  • POMD
  • 4
  • 5
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 4
  • 5
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3