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

Liquid-Liquid Equilibria for the Ternary Systems of (Water + Tetrahydrofuran + Polar Solvent) at 298.15 K

Senol, A.[Aynur]
J. Chem. Eng. Data 2004, 49, 6, 1827-1832
ABSTRACT
Liquid-liquid equilibrium data and tie-line end compositions are presented for mixtures of [water (1) + tetrahydrofuran (2) + trichloroethylene or + 1-hexanol or + 3-methylbutyl ethanoate (3)] at T = 298.15 K and P = (101.3 +/- 0.7) kPa. Among the studied solvents, 3-methylbutyl ethanoate represents the best performance for the extraction of tetrahydrofuran. The properties and liquid-liquid equilibria (LLE) of the associated ternaries containing polar components capable of hydrogen bonding or dipole-dipole interaction have been estimated using a solvatochromic approach (SERLAS). The tie lines were also correlated using the UNIFAC-original model. The reliability of the models has been analyzed against the LLE data with respect to the distribution ratio and separation factor. The proposed solvatochromic model appears to be an improvement in data fit for the ternary systems, yielding a mean error of 15% for all the systems considered.
Compounds
# Formula Name
1 H2O water
2 C4H8O tetrahydrofuran
3 C2HCl3 trichloroethene
4 C6H14O hexan-1-ol
5 C7H14O2 3-methylbutyl ethanoate
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
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • 1
  • POMD
  • 3
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:4
  • 1
  • POMD
  • 4
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • 1
  • POMD
  • 4
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:4
  • 1
  • POMD
  • 5
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • 1
  • POMD
  • 5
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:4
  • 1
  • POMD
  • 3
  • 2
  • 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 6
  • POMD
  • 2
  • 4
  • 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 6
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 6