Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibria for mixtures containing water, methanol, fatty acid methyl esters, and glycerol

Lee, M. J.[Ming-Jer], Lo, Y.-C.[Yuan-Chen], Lin, H.[Ho-mu]
Fluid Phase Equilib. 2010, 299, 2, 180-190
ABSTRACT
The liquid-liquid equilibrium (LLE) data, including tie-lines and phase boundaries, were measured for the ternary systems of water + methanol + methyl oleate, water + methanol + methyl linoleate, glycerol + methanol + methyl oleate, and glycerol + methanol + methyl linoleate at temperatures from 298.2 K to 318.2 K under atmospheric pressure. All the LLE data follow the Othmer-Tobias equation. Each ternary system behaves type-I LLE. The areas of two-liquid coexistence region decrease with increasing temperature. The experimental data were applied to test the validity of the UNIFAC model and its various modified versions, including UNIFAC-LLE and UNIFAC-Dortmund. The LLE data were also correlated with the NRTL and the UNIQUAC models. The UNIQUAC model yielded better results.
Compounds
# Formula Name
1 CH4O methanol
2 C19H36O2 methyl cis-9-octadecenoate
3 C19H34O2 methyl (Z,Z)-9,12-octadecadienate
4 C3H8O3 glycerol
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
  • 2
  • 5
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 15
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 19
  • POMD
  • 1
  • 3
  • 5
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 23
  • POMD
  • 1
  • 3
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 25
  • POMD
  • 4
  • 1
  • 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 21
  • POMD
  • 4
  • 1
  • 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 39
  • POMD
  • 4
  • 1
  • 3
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 21
  • POMD
  • 4
  • 1
  • 3
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 35