Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

High-pressure (vapour + liquid) equilibria for ternary systems composed by {(E)-2-hexenal or hexanal + carbon dioxide + water}: Partition coefficient measurement

Bejarano, A.[Arturo], Lopez, P. I.[Pablo I.], del Valle, J. M.[Jose M.], de la Fuente, J. C.[Juan C.]
J. Chem. Thermodyn. 2015, 89, 79-88
ABSTRACT
A new apparatus based on a static analytic method assembled in this work was utilised to perform high-pressure (vapour + liquid) equilibria measurements of aqueous ternary systems. This work includes values of isothermal partition coefficients between CO2 and water of two apple aroma constituents, (E)-2-hexenal and hexanal. Additionally, this work reports new experimental (vapour + liquid) equilibria measurements for the ternary systems (CO2 + (E)-2-hexenal + water) and (CO2 + hexanal + water), at fixed liquid phase composition (600 mg kg 1), at temperatures of (313, 323 and 333) K and at pressures from (8 to 19) MPa. Vapour liquid interphase was checked and monitored visually for all the systems studied in this work. No liquid immiscibility was observed at the composition, temperatures and pressures studied. In order to suggest reasonable operation conditions for fractionation of aromas with dense carbon dioxide, partition coefficients of the aroma compounds between CO2 and water along with their separation factors from water were calculated. Partition coefficients of (E)-2-hexenal between CO2 and water were in the range of (6 to 91) and where found to be near six times higher than those of hexanal (9 to 17). Very high separation factors from water were observed ( 104) especially for (E)-2-hexenal. The highest separation factor, for both compounds, was found at a temperature of 313 K and pressures from (12 to 14) MPa.
Compounds
# Formula Name
1 C2H6O ethanol
2 C6H10O (E)-2-hexenal
3 C6H12O hexanal
4 H2O water
5 CO2 carbon dioxide
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
  • 5
  • 4
  • Mass fraction - 1 ; Liquid
  • Mass fraction - 1 ; Gas
  • Mass fraction - 5 ; Gas
  • Pressure, kPa; Liquid
  • Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 7
  • POMD
  • 5
  • 2
  • 4
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 2 ; Gas
  • Mole fraction - 4 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • spectrophotometry
  • spectrophotometry
  • spectrophotometry
  • 18
  • POMD
  • 3
  • 5
  • 4
  • Mole fraction - 3 ; Liquid
  • Mole fraction - 3 ; Gas
  • Mole fraction - 4 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • spectrophotometry
  • spectrophotometry
  • spectrophotometry
  • 16
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 5 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 6