Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic modeling of ternary and quaternary (liquid + liquid) systems containing water, FeCl3, HCl and diisopropyl ether

Milosevic, M.[Miran], Hendriks, I.[Ilse], Smits, R. E. R.[Ralph E. R.], Schuur, B.[Boelo], de Haan, A. B.[Andre B.]
J. Chem. Thermodyn. 2013, 67, 83-90
ABSTRACT
Liquid-liquid extraction using ethers as solvents is a potentially energy saving alternative for the concentration of aqueous ferric chloride solutions. Adequate thermodynamic models that describe the behavior of the resulting quaternary systems (FeCl3, ether, acid and water) are not available in the literature. In this paper, the development of an equilibrium description applying the NRTL-model is presented, including experimental validation and fitting of the NRTL-parameters on the validated data. Equilibrium experiments were performed for the ternary systems (water + HCl + DiPE) and (water + FeCl3 + DiPE) and the obtained data is in good agreement with the results from Maljkovic et al. [38] and Cambell et al. [39]. Experimental data of the quaternary system is taken from Maljkovic et al. [37]. The obtained binary interaction parameters to describe the (liquid + liquid) quaternary system (water + FeCl3 + HCl + DiPE) and the constituting ternaries by the NRTL model are presented. Model predictions are in good agreement with the experimental data.
Compounds
# Formula Name
1 ClH hydrogen chloride
2 C6H14O diisopropyl ether
3 Cl3Fe ferric chloride
4 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
  • 2
  • 1
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 5
  • POMD
  • 2
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 3