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

Measurement and Modeling of Epigallocatechin Gallate Solubility in Supercritical Carbon Dioxide Fluid with Ethanol Cosolvent

Song, Q.[Qingrong], Zhu, J.[Jianliang], Wan, J.[Junfen], Cao, X.-J.[Xue-Jun]
J. Chem. Eng. Data 2010, 55, 9, 3946-3951
ABSTRACT
To extract epigallocatechin gallate (EGCG) by supercritical carbon dioxide, it is necessary to determine the solubility of EGCG in supercritical carbon dioxide fluid with cosolvents. In this study, the solubility of EGCG was determined in supercritical fluid with different mole fractions of ethanol cosolvent of 0.044 and 0.084 at temperatures ranging from (313 to 333) K and pressures from (15 to 35) MPa. EGCG solubility increased with the mole fraction of ethanol cosolvent. The maximum mole fraction solubility of EGCG under supercritical carbon dioxide is 7.34*10-4 at a pressure of 35 MPa, temperature of 313 K, and mole fraction of ethanol of 0.084. The thermodynamic model, modified Chrastil model, and Mendez-Santiago and Teja model were applied to correlate the solubility data of EGCG in supercritical fluid containing an ethanol mole fraction of 0.084, with an average absolute relative deviation (AARD) of 0.1316, 0.1103, and 0.1109, respectively. While in supercritical CO2 containing 0.044 ethanol, AARDs of the modified Chrastil model, Mendez-Santiago and Teja model are 0.0745 and 0.0776, respectively. The results show that the modified Chrastil model and Mendez-Santiago and Teja model have a better correlation effect than the thermodynamic model.
Compounds
# Formula Name
1 C22H18O11 (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate
2 CO2 carbon dioxide
3 C2H6O ethanol
4 C3H6O acetone
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
  • 2
  • 1
  • Mole fraction - 1 ; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 4
  • 2
  • 1
  • Mole fraction - 1 ; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Solvent: Mole fraction - 4; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 3
  • 2
  • 1
  • Mole fraction - 1 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Solvent: Mole fraction - 3; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • Chromatography
  • 30