Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and correlation of vapor-liquid distribution coefficients of flavonoids in high pressure carbon dioxide - ethanol - water systems

Sato, Soma, Ota, Masaki, Sato, Yoshiyuki, Smith, Richard Lee, Inomata, Hiroshi
Fluid Phase Equilib. 2019, 489, 90-98
ABSTRACT
Vapor-liquid equilibria (VLE) and distribution coefficients (K-values) of carbon dioxide (CO2) - ethanol - water ternary systems and CO2 - ethanol - water - flavonoid (flavone, 6-methoxyflavone or 7-hydroxyflavone) quaternary systems were measured with a flow type apparatus at (313 to 353) K and (10 to 20) MPa. CO2 - ethanol - flavonoid ternary systems were measured at a nominal range of temperatures and pressures. The K-values of all flavonoids increased with increasing pressure. It was also indicated that the K-values of relatively lipophilic components such as flavone and 6-methoxyflavone increased with increasing water composition in feed while those of relatively hydrophilic components such as 7-hydroxyflavone increased with increasing ethanol composition in feed. A simple dimensionless relationship in terms of the K-values of the solvents (KCO2, KEtOH, KH2O) and the entropy-based solubility parameters of the vapor and liquid phases was developed to correlate the K-values of the three solutes in the CO2 - ethanol - water systems over the full range of conditions studied.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C2H6O ethanol
3 C15H10O2 flavone
4 C16H12O3 6-methoxyflavone
5 C15H10O3 7-hydroxyflavone
6 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
  • 2
  • 6
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 2 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 42
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 3 ; Liquid
  • Mole fraction - 3 ; Gas
  • Mole fraction - 2 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 2 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 5 ; Liquid
  • Mole fraction - 5 ; Gas
  • Mole fraction - 2 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 5