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

Liquid-Liquid Equilibrium for the Water + Acetonitrile + Limonene System at different temperatures

Barrera Zapata, R.[Rolando], Villa, A. L.[Aida L.], Montes de Correa, C.[Consuelo]
J. Chem. Eng. Data 2005, 50, 4, 1353-1356
ABSTRACT
Isobaric liquid-liquid equilibrium (ELL) data (tie lines and miscibility gaps) for the ternary system water + acetonitrile + limonene were determined at atmospheric pressure and at temperatures ranging from (296.15 +- 0.5) K to (323.15 +- 0.5) K. The reliability of the experimental tie-line data was ascertained by using two overall concentrations for each tie-line. The equilibrium data were correlated using NRTL and UNIQUAC equations to obtain new and previously unavailable UNIQUAC and NRTL interaction parameters. Experimental data were also compared with those predicted by UNIFAC group contribution method. At the studied temperatures, the UNIQUAC equation fitted the experimental data better than NTRL, with a root-mean square deviation value between 0.51 and 1.1 %. The miscibility gap disappears for an acetonitrile mass fraction equal to about 81% at 306.15 K.
Compounds
# Formula Name
1 C10H16 (R)-1-methyl-4-(1-methylethenyl)cyclohexene
2 C2H3N acetonitrile
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
  • 3
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 4
  • POMD
  • 2
  • 1
  • 3
  • Mass fraction - 1 ; 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
  • CHROM:UFactor:32
  • CHROM:UFactor:32
  • CHROM:UFactor:32
  • 28
  • POMD
  • 2
  • 1
  • 3
  • Mass fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:4
  • 64