Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibria of (water + levunilic acid + alcohol) ternary systems

Uslu, H.[Hasan], Gok, A.[Asly], Kirbaslar, S. I.[S ISmail]
Fluid Phase Equilib. 2008, 273, 1-2, 21-26
ABSTRACT
Liquid liquid equilibrium (LLE) data of the solubility (binodal) curves and tie-line end compositionswere examined for mixtures of {(water (1) + levunilic acid (2) + isoamyl alcohol or hexanol or decanol (3)} at 298.15K and 101.3+-0.7 kPa. A type-1 LLE phase diagram was obtained for this ternary system. The relative mutual solubility of levunilic acid is higher in the water layers than in the isoamyl alcohol or hexanol or decanol layers. The reliability of the experimental tie-line data was confirmed by using the Othmer Tobias correlation. The LLE data of the ternary systems were predicted by UNIFAC method. Distribution coefficients and separation factors were measured to evaluate the extracting capability of the solvents. Furthermore, LSER model equation has been obtained to calculate distribution coefficients (d2) and separation factors (s) with R2 1 = 0.963 and R2 2 = 0.844.
Compounds
# Formula Name
1 H2O water
2 C5H12O 3-methylbutan-1-ol
3 C6H14O hexan-1-ol
4 C10H22O decan-1-ol
5 C5H8O3 4-oxopentanoic acid
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
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Fischer boiling apparatus
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 1
  • POMD
  • 3
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Fischer boiling apparatus
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 1
  • POMD
  • 4
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Fischer boiling apparatus
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 5
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Fischer boiling apparatus
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 1
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 5 ; 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
  • Chromatography
  • Chromatography
  • Chromatography
  • 5
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:2
  • 16
  • POMD
  • 3
  • 5
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 5 ; 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
  • 5
  • POMD
  • 3
  • 5
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:2
  • 17
  • POMD
  • 4
  • 5
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 5 ; 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
  • 5
  • POMD
  • 4
  • 5
  • 1
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • TITR:UFactor:2
  • 17