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

Determination and Correlation of Liquid-Liquid Equilibria Data for Ternary System Isopropyl Acetate + Isopropanol + Water at Different Temperatures

Zhang, Lili, Liao, Zhaohui, Zhu, Chuanfu, Yu, Yingmin, Li, Qingsong
J. Chem. Eng. Data 2019, 64, 3, 972-978
ABSTRACT
The liquid-liquid equilibrium (LLE) data for (isopropyl acetate + isopropanol + water) ternary systems were determined experimentally using equilibrium cell at 298.15-323.15 K and 101.325 kPa to obtain the fundamental data guiding the separation process of isopropyl acetate and isopropanol mixtures. The solvents' extraction capacity was assessed by the solute distribution coefficient and selectivity. Othmer-Tobias and Bachman correlations for tie-lines were used to assess the smoothed trend of the data measured. The thermodynamic models NRTL and UNIQUAC are used to correlate experimental data and obtain relevant binary interaction parameters. Both models provide good descriptions of the studied systems with the root mean square deviations (RMSD) less than 0.2%. Moreover, a lower RMSD was found for the UNIQUAC model, demonstrating that it can correlate the experimental data successfully.
Compounds
# Formula Name
1 H2O water
2 C5H10O2 1-methylethyl ethanoate
3 C3H8O propan-2-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
  • 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
  • 2
  • 3
  • 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; 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
  • 54
  • POMD
  • 2
  • 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 6
  • POMD
  • 2
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 6