Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Salt effect on (liquid + liquid) equilibrium of (water + tertbutanol + 1-butanol) system: Experimental data and correlation

Pereira, M. A. P.[Milton A.P.], Aznar, M.[Martin]
J. Chem. Thermodyn. 2006, 38, 1, 84-89
ABSTRACT
(Liquid + liquid) equilibrium data for the quaternary systems (water + tert-butanol + 1-butanol + KBr) and (water + tert-butanol + 1-butanol + MgCl2) were experimentally determined at T = 293.15 K and T = 313.15 K. For mixtures with KBr, the overall salt concentrations were 5 and 10 mass percent; for mixtures with MgCl2, the overall salt concentrations were 2 and 5 mass percent. The experimental results were used to estimate molecular interaction parameters for the NRTL activity coefficient model, using the Simplex minimization method and a concentration-based objective function. The correlation results are extremely satisfactory, with deviations in phase compositions below 1.7%.
Compounds
# Formula Name
1 H2O water
2 C4H10O 2-methylpropan-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
  • 3
  • 2
  • 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 12