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

Determination and Correlation of Liquid-Liquid Equilibria Data for Water + Cyclohexanol + (Mesityl Oxide, Toluene, and p-Xylene) Ternary Systems at Different Temperatures

Zhu, Chuanfu, Yu, Yingmin, Jiang, Hui, Li, Qingsong
J. Chem. Eng. Data 2018, 63, 5, 1190-1197
ABSTRACT
Accurate LLE data are of momentous significance for the design, emulation and optimizing of extractive process. For assembling the essential data of the operation about extracting cyclohexanol from aqueous solution, LLE data for {Water + Cyclohexanol + Toluene}, {Water + Cyclohexanol + p-Xylene} and {Water + Cyclohexanol + Mesityl Oxide} ternary systems were experimentally determined at 303.15 K and 323.15 K under atmospheric pressure. The solvents separating power was assessed with distribution coefficient and selectivity. Consistency of experimental data was confirmed with Othmer-Tobias and Bachman equations. The LLE data were also correlated with NRTL and UNIQUAC models, the regression result was better with RMSD values were all less than 0.2%. However, UNIQUAC model correlated better since the RMSD was smaller. In addition, relevant binary interaction parameters were generated during correlation process.
Compounds
# Formula Name
1 H2O water
2 C6H12O cyclohexanol
3 C8H10 1,4-dimethylbenzene
4 C7H8 toluene
5 C6H10O 4-methyl-3-penten-2-one
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • 2
  • 4
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 16
  • POMD
  • 1
  • 2
  • 3
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 16
  • POMD
  • 1
  • 2
  • 5
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 16