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

Liquid-Liquid Equilibrium in the Ternary Systems Water + Cyclohexanone + Benzene or Methyl Isobutyl Carbinol at 303.15 and 323.15 K: Experimental Data and Correlation

Liu, Hai, Yu, Xuemin, Cui, Peng, Shi, Midong, Xin, Kun, Yu, Yingmin, Li, Qingsong
J. Chem. Eng. Data 2017, 62, 10, 3512-3517
ABSTRACT
Liquid-liquid equilibria provide fundamental data for designing and simulating a proper extraction process. The aim of this work is to extract cyclohexanone from wastewater using appropriate solvents. Liquid-liquid equilibrium experimental results were measured for water + cyclohexanone + benzene or methyl iso-butyl carbinol ternary systems at 303.15 K and 323.15 K under 101.3 kPa. The distribution ratios as well as selectivity values were calculated according to the experimental data to assess the extracting behaviors of the selected solvents. The selectivity value has a slight decrease with the increasing temperature from 303.15K to 323.15K, which indicates that temperature has an adverse effect and low temperature is more suitable for extraction. Besides, the consistency and reliability of the obtained experimental results were ascertained by applying both the Hand and Bachman equations. The obtained experimental tie-line data fitted well with the NRTL and UNIQUAC activity coefficient models, yielding the the root-mean-square deviation (rmsd) values as low as 0.17 and 0.16 for the two models, respectively.
Compounds
# Formula Name
1 H2O water
2 C6H10O cyclohexanone
3 C6H6 benzene
4 C6H14O 4-methyl-2-pentanol
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 - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 16
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; 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
  • 16