Calculation of solid solubility of complex molecules in supercritical carbon dioxide using a solution model approach

Molecular Simulation

Volumn 29, Issue 12, 2003, Pages 749-754

  Cheng, Jaw Shin ^a   Tang, Muoi ^a,b   Chen, Yan Ping ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^b CHINESE CULTURE UNIVERSITY   (Taiwan)

Author keywords

Biological compounds; Method of calculation; Solid fluid equilibria; Supercritical carbon dioxide

Indexed keywords

ANTIOXIDANTS; AROMATIC COMPOUNDS; CARBON DIOXIDE; FREE ENERGY; INTERFACES (MATERIALS); NUMERICAL METHODS; PHASE EQUILIBRIA; VITAMINS;

BIOLOGICAL COMPOUND; FLORY-HUGGINS EQUATION; METHOD OF CALCULATION; SUPERCRITICAL CARBON DIOXIDE;

SOLUBILITY;

EID: 33746469869     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/0892702031000121806     Document Type: Article

References (23)

1. Cheng, J.S., Tang, M. and Chen, Y.P. (2003) "Correlation and comparison of the infinite dilution activity coefficient on aqueous mixtures from a modified excess free energy model", Fluid Phase Equilib., In final revision.
2. Ashour, I., Almehaideb, R., Fateen, S.E. and Aly, G. (2000) "Representation of solid-supercritical fluid phase equilibria using cubic equations of state", Fluid Phase Equilib. 167, 41.
3. Iwai, Y., Koga, Y., Fukuda, T. and Arai, Y. (1992) "Correlation of solubilities of high-boiling components in supercritical carbon dioxide using a solution model", J. Chem. Eng. Jpn 25, 757.
4. Cheng, J.S., Tang, M. and Chen, Y.P. (2002) "Correlation of solid solubility for biological compounds in supercritical carbon dioxide: comparative study using solution model and other approaches", Fluid Phase Equilib. 194-197, 483.
5. Bush, D. and Eckert, C.A. (1998) "Prediction of solid-fluid equilibria in supercritical carbon dioxide using linear solvation energy relationships", Fluid Phase Equilib. 150-151, 479.
6. Aranovich, G.L. and Donohue, M.D. (1996) "A new model for lattice systems", J. Chem. Phys. 105, 7059.
7. Yalkowsky, S.H. (1979) "Estimation of entropies of fusion of organic compounds", Ind. Eng. Chem. Fundam. 18, 108.
8. 2) from 250 to 330 K at pressures to 35MPa", J. Chem. Thermodyn. 21, 879.
9. Chrastil, J. (1982) "Solubility of solids and liquids in supercritical gases", J. Chem. Phys. 86, 3016.
10. Méndez-Santiago, J. and Teja, A.S. (1999) "The solubility of solids in supercritical fluids", Fluid Phase Equilib. 158-160, 501.
11. Jiang, C., Pan, Q. and Pan, Z. (1998) "Solubility behavior of solids and liquids in compressed gases", J. Supercrit. Fluids 12, 1.
12. Cortesi, A., Kikic, I., Alessi, P., Turtoi, G. and Gamier, S. (1999) "Effect of chemical structure on the solubility of antioxidants in supercritical carbon dioxide: experimental data and correlation", J. Supercrit. Fluids 14, 139.
13. Macnaughton, S.J. and Foster, N.R. (1994) "Solubility of DDT and 2,4-D in supercritical carbon dioxide and supercritical carbon dioxide saturated with water", Ind. Eng. Chem. Res. 33, 2757.
14. Madras, G., Erkey, C. and Akgerman, A. (1993) "A new technique for measuring solubilities of organics in supercritical fluids", J. Chem. Eng. Data 38, 422.
15. Yun, S.L.J., Liong, K.K., Gurdial, G.S. and Foster, N.R. (1991) "Solubility of cholesterol in supercritical carbon dioxide", Ind. Eng. Chem. Res. 30, 2476.
16. Alessi, P., Cortesi, A., Kikic, I., Foster, N.R., Macnaughton, S.J. and Colombo, I. (1996) "Particle production of steroid drugs using supercritical fluid processing", Ind. Eng. Chem. Res. 35, 4718.
17. Kosal, E., Lee, C.H. and Holder, G.D. (1992) "Solubility of progesterone, testosterone, and cholesterol in supercritical fluids", J. Supercrit. Fluids 5, 169.
18. Wong, J.M. and Johnston, K.P. (1986) "Solubilization of biomolecules in carbon dioxide based supercritical fluids", Biotechnol. Prog. 2, 29.
19. Johannsen, M. and Brunner, G. (1997) "Solubilities of the fatsoluble vitamins A, D, E and K in supercritical carbon dioxide", J. Chem. Eng. Data 42, 106.
20. Coutsikos, P., Magoulas, K. and Tassios, D. (1997) "Solubilities of p-quinone and 9,10-anthra-quinone in supercritical carbon dioxide", J. Chem, Eng. Data 42, 463.
21. Uchiyama, H., Mishima, K., Oka, S., Ezawa, M. and Ide, M. (1997) "Solubilities of flavone and 3-hydro-flavone in supercritical carbon dioxide", J. Chem. Eng. Data 42, 570.
22. Schmitt, W.J. and Reid, R.C. (1986) "Solubility of mono-functional organic solids in chemically diverse supercritical fluids", J. Chem. Eng. Data 31, 204.
23. Ting, S.S.T., Macnaughton, S.J., Tomasko, D.L. and Foster, N.R. (1993) "Solubility of naproxen in supercritical carbon dioxide with and without cosolvents", Ind. Eng. Chem. Res. 32, 1471.