Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility of a spiroindolinonaphthoxazine photochromic dye in supercritical carbon dioxide: Experimental determination and correlation

Coimbra, P.[Patricia], Gil, M. H., Duarte, C. M. M., Heron, B. M., de Sousa, H. C.[Herminio C.]
Fluid Phase Equilib. 2005, 238, 1, 120-128
ABSTRACT
The measurement and correlation of the experimental solubility of a spiroindolinonaphthoxazine photochromic dye (1,3-dihydro-3,3-dimethyl-1- isopropyl-6'-(2,3)-(dihydroindole-1-yl)spiro[2H-indole-2,3'-3H-naphtho[2,1-b] [1,4] oxazine]) in supercritical carbon dioxide (scCO2) is reported. Results were obtained using a static analytical method, at 308.0, 318.0 and 328.0 K, and in a pressure range from 10.0 to 26.0MPa. Solubility experimental data were correlated with three density-based models (Chrastil, Bartle and M'endez-Santiago Teja models), with the Ziger Eckert semi-empirical correlation and with two cubic equation-of-state (EOS) models, namely the Peng Robinson EOS (PR-EOS) and the Soave Redlich Kwong EOS (SRK-EOS), together with the conventional van derWaals mixing and combining rules. Good correlation results were obtained between the calculated and experimental solubility, to all fitted models. Solubility results clearly indicate the feasibility of processing this dye, and possibly this class of photochromic dyes, using supercritical fluid technologies and processes, for example, supercritical fluid dye impregnation of polymer host materials.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C32H31N3O 1,3-dihydro-3,3-dimethyl-1-isopropyl-6'-(2,3)-(dihydroindole-1-yl)spiro[2H-indole-2,3'-3H-naphtho[2,1-b][1,4]oxazine]
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
  • 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
  • UV spectroscopy
  • 19