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

Phase Equilibrium on Extraction Methylphenols from Aqueous Solution with 3,3-Dimethyl-2-butanone at 333.2 K and 353.2 K

Xiong, Kangning, Zheng, Xiuyu, Jiang, Meiling, Gao, Dan, Wang, Furong, Chen, Yun
J. Chem. Eng. Data 2018, 63, 7, 2376-2383
ABSTRACT
The accurate measurement of liquid-liquid equilibrium (LLE) data is essential for realizing partitioning on solvent extraction. In this paper, the LLE data for the ternary system water+ 2-, 3-, 4-methylphenol + 3, 3-dimethyl-2-butanone (also known as methyl tert-butyl ketone, MTBK) were studied at 333.2K and 353.2K under 101.3kPa. The extraction performance of MTBK was estimated by partition coefficients and separation factors. The extraction efficiencies of MTBK were compared with those of MIBK, mesityl oxide, and those results of MTBK at five different temperatures from 298.2K to 353.2K were also contrasted with each other. In addition, the Non-Random Two-Liquid (NRTL) and Universal Quasi Chemical (UNIQUAC) models were applied to fit the measured LLE data. The results indicate that the calculated data based on the NRTL and UNIQUAC equations are as good reported by the experimental data, and the rootmean-square error (RMSE) values are lower than 2.50%. The obtained binary interaction parameters in this study can be used in the calculation of LLE about the ternary system (water +2-, 3-, 4-methylphenol+MTBK) as well as for the design and optimization of industrial process to remove methylphenols from effluents.
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
  • 5
  • 2
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 16
  • POMD
  • 5
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 3 ; 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
  • 5
  • 4
  • 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4 ; 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