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

Liquid-Liquid Equilibrium Measurements and Correlation for Ternary Systems (Butyl Acetate + 1-Butanol + Ethylene Glycol/1,3-Propanediol/Ethanolamine) at 298.15 K

Wang, Z.[Zhaojie], Liu, K.[Kai], Wang, P.[Ping], Xu, D.[Dongmei], Gao, J.[Jun], Zhang, L.[Lianzheng], Li, M.[Min], Wang, Y.[Yinglong]
J. Chem. Eng. Data 2019, 64, 8, 3244-3249
ABSTRACT
For separation of the azeotropic mixture butyl acetate and butanol, ethylene glycol, 1,3-propanediol and ethanolamine were chosen as the extractants. The phase equilibria for the ternary systems (butyl acetate + butanol + ethylene glycol / 1,3propanediol / ethanolamine) were investigated and the liquid-liquid equilibrium (LLE) data were determined at 298.15 K and 101.3 kPa. During the LLE measurement, the equilibrium was achieved when the prepared ternary mixture was stirred for 2 h and settled for 12 h. To evaluate the extraction capacity of the solvents, the distribution constant (D) and selectivity (S) were calculated. From the comparison of the values of D and S, ethanolamine is the best extractive solvent among the three solvents. In the meantime, the nonrandom two-liquid (NRTL) and the universal quasi-chemical (UNIQUAC) models were applied to correlate the LLE data for the systems. The values of the root mean square deviations (RMSD) between the experimental LLE data and calculated values were less than 0.02. And the binary interaction parameters of the NRTL and UNIQUAC models were optimized.
Compounds
# Formula Name
1 C4H10O butan-1-ol
2 C6H12O2 butyl ethanoate
3 C2H6O2 1,2-ethanediol
4 C3H8O2 propan-1,3-diol
5 C2H7NO 2-aminoethan-1-ol
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
  • 2
  • 1
  • 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1