Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) equilibrium data for the separation of 2,3-butanediol from aqueous streams using tetraoctyl ammonium 2-methyl-1-naphthoate

Garcia-Chavez, L. Y.[Lesly Y.], Shazad, M.[Maryam], Schuur, B.[Boelo], de Haan, A. B.[Andre B.]
J. Chem. Thermodyn. 2012, 55, 85-91
ABSTRACT
Microbiological production of 2,3-butanediol (2,3-BD) through fermentation using renewable feedstock is a promising option for the production of bio based chemicals. Liquid-liquid extraction could be a more efficient process, if a proper solvent is used. Tetraoctyl ammonium 2-methyl-1-naphthoate [TOA MNaph] is a tailor made hydrophobic ionic liquid that may be applied for the recovery of 2,3-BD from aqueous streams. In this work, the (liquid + liquid) equilibrium data for {2,3-BD + water + [TOA MNaph]} at (313.2, 333.2, and 353.2) K have been obtained and correlated to the NRTL and UNIQUAC activity coefficient models. Root square mean deviations (RMSD) values of 1.54% (NRTL) and 1.88% (UNIQUAC) were obtained, showing that both models can properly describe the experimental data. Compared to conventional solvents [TOA MNaph] presents a good balance between distribution coefficient (D_2,3BD = 1.08) and selectivity (S = 11.47).
Compounds
# Formula Name
1 C4H10O2 (R*,S*)-2,3-butanediol
2 H2O water
3 C44H77NO2 tetraoctylammonium 2-methyl-1-naphthoate
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
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 21
  • POMD
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3