Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibria for the system (water + carboxylic acid + chloroform): Thermodynamic modeling

Senol, A.[Aynur]
Fluid Phase Equilib. 2006, 243, 1-2, 51-56
ABSTRACT
Liquid liquid equilibrium (LLE) data of the solubility curves and tie-line end compositions are presented for mixtures of [water (1) + acetic acid, or pyruvic acid, or valeric acid (2) + chloroform (3)] at T = 293.15K and atmospheric pressure. Among the studied ternary systems, the largest separation factors give valeric acid. A solvation energy relation (SERLAS) has been used to estimate the liquid liquid equilibria of associated systems containing a protic solvent. The tie-lines were also predicted through the UNIFAC-original model. The reliability of both models has been analyzed against the LLE data with respect to the distribution ratio and separation factor. SERLAS matches LLE data relatively accurately, yielding a mean error of 18.5% for all the systems considered.
Compounds
# Formula Name
1 CHCl3 trichloromethane
2 C2H4O2 acetic acid
3 C3H4O3 2-oxopropanoic acid
4 C5H10O2 pentanoic acid
5 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
  • 5
  • Mole fraction - 5 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 1
  • 5
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 6
  • POMD
  • 1
  • 3
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 6
  • POMD
  • 1
  • 4
  • 5
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 6