Thermodynamics Research Center, ThermoML : Journal of Chemical and Engineering Data

Liquid-Liquid Equilibria for the Ternary and Quaternary Systems of Water + Trimethylolpropane + (2-Ethylhexan-1-ol/Octan-1-ol) + Formaldehyde at 298.15 K

Lee, S.[Sunjae], Choi, J.[Jaehoon], Song, K. H.[Kwang Ho]
J. Chem. Eng. Data 2019, 64, 12, 5295-5301
ABSTRACT
Ternary and quaternary liquid-liquid equilibria of three solutions (water + trimethylolpropane (TMP) + 2-ethylhexanol, water + TMP + octan-1-ol, and water + TMP + 2-ethylhexanol + formaldehyde) were studied at 298.15K under atmospheric pressure. The consistency of the measured tie-line data was evaluated using the Othmer-Tobias, Bachman, and Hand equations. The properties of solvents, such as distribution constants, separation factors, and insolubilities, were examined in the ternary and quaternary liquid-liquid equilibrium systems. NRTL and UNIQUAC models were used to regress the ternary and quaternary systems and calculate binary interaction parameters. Finally, a comparison of experimental and calculated data, using the NRTL and UNIQUAC models, was performed.
Compounds
# Formula Name
1 C8H18O 2-ethyl-1-hexanol
2 C6H14O3 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
3 C8H18O octan-1-ol
4 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
  • 4
  • 2
  • 3
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 6
  • POMD
  • 4
  • 2
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 6