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

Liquid Liquid Equilibrium for the Ternary Systems Methyl tert-Butyl Ketone + o-, m-, p-Cresol + Water at (298.2, 313.2, and 323.2) K

Zhou, S.[Shaoming], Liao, M.[Mochen], Liu, D.[Dong], Li, L.[Libo], Chen, Y.[Yun]
J. Chem. Eng. Data 2017, 62, 7, 1929-1936
ABSTRACT
Liquid liquid equilibrium (LLE) for the methyl tert-butyl ketone (MTBK) + o-, m-, and p-cresol + water ternary systems, at temperatures of (298.2, 313.2, and 323.2) K and 101 kPa, were determined in this work. High distribution coefficient and selectivity values were calculated from the LLE data, which indicated that MTBK extracted cresols from wastewater with high efficiency. MTBK also has good physical properties (e.g., low solubility in water, suitable boiling point). The experimental results were regressed and correlated by the NRTL and UNIQUAC activity coefficient models, which both predicted LLE data in close agreement with experiments with RMSD below 3.5%. The corresponding binary interaction parameters were also regressed by these two models, which would be useful for separation process designing or optimizing.
Compounds
# Formula Name
1 C6H12O 3,3-dimethyl-2-butanone
2 C7H8O 2-methylphenol
3 C7H8O 3-methylphenol
4 C7H8O 4-methylphenol
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
  • 1
  • 2
  • 5
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 30
  • POMD
  • 1
  • 3
  • 5
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 30
  • POMD
  • 1
  • 4
  • 5
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 30
  • POMD
  • 1
  • 5
  • Mass 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
  • 5
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3