Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) equilibria for the ternary (water + acetic acid + toluene) system at different temperatures: Experimental data and correlation

Saien, J.[Javad], Mozafarvandi, M.[Maryam], Daliri, S.[Shabnam], Norouzi, M.[Mahdi]
J. Chem. Thermodyn. 2013, 57, 76-81
ABSTRACT
(Liquid + liquid) equilibrium (LLE) of the ternary (water + acetic acid + toluene) system was investigated at temperatures of (288.2, 298.2, and 313.2) K, under atmospheric pressure. This chemical system is frequently used in liquid liquid extraction investigations. The results show that the distribution coefficient of acetic acid between organic and aqueous phases rises with increasing temperature, but the separation factor decreases within the temperature range covered. Meanwhile, a maximum extraction factor (about 100) was achieved for the solute aqueous phase mass fraction around 0.27 at T = 288.2 K. The tie line data for this system were sufficiently correlated by Othmer Tobias and Hand equations. The experimental results were used to obtain binary interaction parameters as predicted by the non-random two liquid (NRTL) and universal quasi chemical (UNIQUAC) equation models using the Aspen Plus simulator. Root mean square deviation (RMSD) values as low as 0.0119 and 0.0139 were obtained for these models, respectively; indicating excellent correlation results for the provided experimental solubility data.
Compounds
# Formula Name
1 H2O water
2 C7H8 toluene
3 C2H4O2 acetic acid
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
  • 3
  • 2
  • 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • 24