Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Deterpenation of eucalyptus essential oil by liquid + liquid extraction: Phase equilibrium and physical properties for model systems at T = 298.2 K

Goncalves, D.[Daniel], Koshima, C. C.[Cristina Chiyoda], Nakamoto, K. T.[Karina Thiemi], Umeda, T. K.[Thayla Karla], Aracava, K. K.[Keila Kazue], Goncalves, C. B.[Cintia Bernardo], Rodrigues, C. E. d. C.[Christianne Elisabete da Costa]
J. Chem. Thermodyn. 2014, 69, 66-72
ABSTRACT
As the principal source in Brazil of eucalyptus essential oil extracts, Eucalyptus citriodora contains citronellal, an oxygenated compound responsible for the flavour characteristics. Deterpenation processes, consisting of the removal of terpenic hydrocarbons with the subsequent concentration of the oxygenated compounds, can be used to improve the aromatic characteristics of this essential oil. The purpose of this work was to perform a study of the technical feasibility of using a liquid + liquid extraction process to deterpenate eucalyptus essential oil. Model systems with various mixtures of limonene and citronellal (representing eucalyptus essential oil) as well as solvent (ethanol with various water mass fractions) were used to obtain liquid + liquid equilibrium data. The raffinate and extract phases were also analyzed to characterize the physical properties (density and viscosity). The equilibrium data were used to adjust the NRTL and UNIQUAC parameters. Two empirical models, the simple mixing rule and the Grunberg Nissan model, were evaluated for use in the descriptions of the densities and viscosities, respectively, of the samples. Increasing the water content in the solvent resulted in decreases in the limonene and citronellal distribution coefficients, with consequential increases in the solvent selectivity values. Increasing values of the densities and viscosities, especially for the solvent-rich phases, were associated with systems using high amounts of hydrated ethanolic solvents.
Compounds
# Formula Name
1 C10H16 (R)-1-methyl-4-(1-methylethenyl)cyclohexene
2 C10H18O (.+-.)-citronellal
3 C2H6O ethanol
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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 3
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 1; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 3
  • 1
  • 4
  • Viscosity, Pa*s ; Liquid
  • Mass fraction - 1; Liquid
  • Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 6
  • POMD
  • 3
  • 1
  • 4
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 3