Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Phase Equilibria in Systems with Levulinic Acid and Ethyl Levulinate

Resk, A. J.[Alexander J.], Peereboom, L.[Lars], Kolah, A. K.[Aspi K.], Miller, D. J.[Dennis J.], Lira, C. T.[Carl T.]
J. Chem. Eng. Data 2014, 59, 4, 1062-1068
ABSTRACT
P x data for the vapor liquid equilibrium (VLE) of four binary systems water + levulinic acid, water + ethyl levulinate, ethanol + levulinic acid, and ethanol + ethyl levulinate were collected at 60 deg C. Liquid liquid equilibrium (LLE) data for ethyl levulinate + water + levulinic acid and ethyl levulinate + water + ethanol were measured at 30 deg C. The consistency of the LLE data was confirmed using the Othmer Tobias method. Data were regressed using ASPEN PLUS software to generate binary interaction parameters for the NRTL-HOC property method. The resulting parameters were able to successfully reproduce experimental VLE data, and were semiquantitative for reproducing experimental LLE data.
Compounds
# Formula Name
1 C5H8O3 4-oxopentanoic acid
2 H2O water
3 C7H12O3 ethyl levulinate
4 C2H6O ethanol
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 24
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 23
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 2
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 2
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 4
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 17
  • POMD
  • 1
  • 3
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 17
  • POMD
  • 4
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 19
  • POMD
  • 4
  • 3
  • 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 10