Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

A new semi-empirical model for correlating the solubilities of solids in supercritical carbon dioxide with cosolvents

Reddy, S. N.[Sivamohan N.], Madras, G.[Giridhar]
Fluid Phase Equilib. 2011, 310, 1-2, 207-212
ABSTRACT
The equilibrium solubilities of the solids in supercritical carbon dioxide (SCCO2) are considerably enhanced in the presence of cosolvents. The solubilities of m-dinitrobenzene at 308 and 318 K over a pressure range of 9.5 to 14.5 MPa in the presence of 1.13 to 2.17 mol% methanol as cosolvent were determined. The average increase in the solubilities in the presence of methanol compared to that obtained in the absence of methanol was around 35%. A new semi-empirical equation in terms of temperature, pressure, density of sc-CO2 and cosolvent composition comprising of 7 adjustable parameters was developed. The proposed model was used to correlate the solubility of the solids in sc-CO2 for the 44 systems available in the literature along with current data. The average absolute relative deviation of the experimental data from the model equation was 3.58%, which is better than the existing models.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C6H4N2O4 1,3-dinitrobenzene
3 CH4O methanol
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 - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • saturation method
  • 11
  • POMD
  • 3
  • 2
  • 1
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Mole fraction - 3; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • saturation method
  • 11