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

Liquid Liquid Equilibria for the System Water + 4-Methylpentan-2-one + Acetic Acid at Several Temperatures

Saien, J.[Javad], Daliri, S.[Shabnam], Norouzi, M.[Mahdi]
J. Chem. Eng. Data 2012, 57, 9, 2553-2559
ABSTRACT
The effect of temperature on the liquid liquid equilibrium (LLE) of the ternary system of {water (1) + acetic acid (2) + 4-methylpentan-2-one (3)}, a recommended system for liquid liquid extraction studies, was investigated at (288.2, 313.2, and 333.2) K. The reliability of the experimental tie line data was examined with the Othmer Tobias and the Hand correlations that represented an excellent agreement. The distribution coefficient of acetic acid between organic and aqueous phases increases significantly with temperature, more than 18 % with low solute concentrations, and its value exceeds 1. Meanwhile, a high separation factor within 3.27 to 43.50 was revealed to extract acetic acid from aqueous phase at different temperatures. Higher separations are relevant for low concentrations of acetic acid at 313.2 K. In addition, the binary molecular interaction parameters for the nonrandom two-liquid (NRTL) and the universal quasichemical (UNIQUAC) models were estimated from the experimental results. Results show that these models with their obtained parameters predict tie lines with root-mean square deviation values of 0.0052 and 0.0245, respectively.
Compounds
# Formula Name
1 C2H4O2 acetic acid
2 C6H12O 4-methylpentan-2-one
3 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
  • 1
  • 2
  • 3
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 3; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • 24