Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) equilibrium of (water + 2-propanol + 1-butanol + salt) systems at T = 313.15 K and T = 353.15 K: Experimental data and correlation

Pereira, M. A. P.[Milton A.P.], Aznar, M.[Martin]
J. Chem. Thermodyn. 2006, 38, 6, 672-677
ABSTRACT
(Liquid + liquid) equilibrium data for the quaternary systems (water + 2-propanol + 1-butanol + potassium bromide) and (water + 2-propanol + 1-butanol + magnesium chloride) were measured at T = 313.15 K and T = 353.15 K. The overall salt concentrations were 5 and 10 mass percent. Ternary (liquid + liquid) equilibrium data for the salt-free system (water + 2-propanol + 1-butanol) were also determined and found to be in good agreement with data from the literature. The NRTL model for the activity coefficient was used to correlate the data. New interaction parameters were estimated, using the Simplex minimization method and a concentration-based objective function. The results are very satisfactory, with root mean square deviations between experimental and calculated compositions of both phases being less than 0.5%.
Compounds
# Formula Name
1 H2O water
2 C3H8O propan-2-ol
3 C4H10O butan-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
  • 3
  • 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 14