Solubility in supercritical carbon dioxide: Importance of the poynting correction and entrainer effects

Journal of Physical Chemistry B

Volumn 112, Issue 36, 2008, Pages 11374-11380

  Anderson, Kelly E ^a   Siepmann, J Ilja ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; MONTE CARLO METHODS; SOLUBILITY; TERNARY SYSTEMS;

EFFECT OF PRESSURE; ENTRAINERS; GIBBS ENSEMBLE MONTE CARLO SIMULATIONS; SUPERCRITICAL CARBON DIOXIDE;

SUPERCRITICAL FLUID EXTRACTION;

EID: 52349117519     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp802374c     Document Type: Article

References (61)

1. Hannay, J. B.; Hogarth, J. Proc. R. Soc. London 1879, 29, 324.
2. Eckert, C. A.; Knutson, B. L.; Debenedetti, P. G. Nature 1996, 383, 313.
3. McHugh, M. A.; Krukonis, V. J. Supercritical Fluid Extraction: Principles and Practice, 2nd ed.; Butterworth: Boston, 1994.
4. Taylor, L. T. Supercritical Fluid Extraction; Wiley: New York, 1996.
5. Dobbs, J. M.; Wong, J. M.; Johnston, K. P. J. Chem. Eng. Data 1986, 31, 303.
6. Dobbs, J. M.; Wong, J. M.; Lahiere, R. J.; Johnston, K. P. Ind. Eng. Chem. Res. 1987, 26, 56.
7. Brennecke, J. F.; Eckert, C. A. AIChE J. 1989, 35, 1409.
8. Chialvo, A. A.; Debenedetti, P. G. Ind. Eng. Chem. Res. 1992, 57, 1391.
9. Inomata, H.; Saito, S.; Debenedetti, P. G. Fluid Phase Equilib. 1996, 116, 282.
10. Tucker, S. C. Chem. Rev. 1999, 99, 391.
11. Maddox, M. W.; Goodyear, G.; Tucker, S. C. J. Phys. Chem. B 2000, 104, 6248.
12. Vorholz, J.; Harismiadis, V. I.; Rumpf, B.; Panagiotopoulos, A. Z.; Maurer, G. Fluid Phase Equilib. 2000, 170, 203.
13. Chatzis, G.; Samios, J. Chem. Phys. Lett. 2003, 374, 187.
14. Stubbs, J. M.; Siepmann, J. I. J. Chem. Phys. 2004, 127, 1525.
15. Skarmoutsos, I.; Samois, J. J. Mol. Liq. 2006, 125, 181.
16. Skarmoutsos, I.; Dellis, D.; Samois, J. J. Chem. Phys. 2007, 126, 224503.
17. Saharay, M.; Balasubramanian, S. J. Phys. Chem. B 2007, 111, 387
18. Shing, K. S.; Chung, S. T. J. Phys. Chem. 1987, 97, 1674.
19. Eya, H.; Iwai, Y.; Fukuda, T.; Arai, Y. Fluid Phase Eq. 1992, 77, 39.
20. Iwai, Y.; Mori, Y.; Koga, Y.; Arai, Y.; Eya, H. J. Chem. Eng. Jpn. 1994, 27, 334.
21. Iwai, Y.; Koga, Y.; Hata, Y.; Uchida, H.; Arai, Y. Fluid Phase Equilib. 1995, 104, 403.
22. Iwai, Y.; Uchida, H.; Koga, Y.; Mori, Y.; Arai, Y. Fluid Phase Equilib. 1995, 111, 1.
23. Iwai, Y.; Uchida, H.; Arai, Y.; Mori, Y. Ind. Eng. Chem. Res. 1996, 35, 3782.
24. Koga, Y.; Iwai, Y.; Yamamoto, M.; Arai, Y. Fluid Phase Equilib. 1997, 137, 83.
25. Iwai, Y.; Uchida, H.; Arai, Y.; Mori, Y. Fluid Phase Equilib. 1998, 144, 233.
26. Agrawal, P. M.; Sorescu, D. C.; Rice, B. M.; Thompson, D. L. Fluid Phase Equilib. 1999, 155, 177.
27. Agrawal, P. M.; Rice, B. M.; Sorescu, D. C.; Thompson, D. L. Fluid Phase Equilib. 2001, 187-188, 139.
28. Albo, S.; Müller, E. A. J. Phys. Chem. B 2003, 107, 1672.
29. Su, Z.; Maroncelli, M. J. Chem. Phys. 2006, 124, 164506.
30. Nouacer, M.; Shing, K. S. Mol. Simul. 1989, 2, 55.
31. Agrawal, P. M.; Rice, B. M.; Sorescu, D. C.; Thompson, D. L. Fluid Phase Equilib. 1999, 166, 1.
32. Iwai, Y.; Mori, Y.; Arai, Y. Fluid Phase Equilib. 2000, 167, 33.
33. Higashi, H.; Iwai, Y.; Arai, Y. Chem. Eng. Sci. 2001, 56, 3027.
34. Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1998, 102, 2569.
35. Potoff, J. J.; Siepmann, J. I. AIChE J. 2001, 47, 1676.
36. Chen, B.; Potoff, J. J.; Siepmann, J. I. J. Phys. Chem. B 2001, 105, 3093.
37. Wick, C. D.; Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 2000, 104, 8008.
38. TraPPE Force Field; http://www.chem.umn.edu/groups/siepmann/trappe/intro. php (accessed on March 14, 2008).
39. Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. J. Am. Chem. Soc. 1996, 118, 11225.
40. Chen, B.; Siepmann, J. I.; Klein, M. L. J. Phys. Chem. B 2001, 105, 9840.
41. (a) Lorentz, H. A. Ann. Phys. 1881, 12, 127.
42. (b) Berthelot, D. C. R. Hebd. Séanc. Acad. Sci., Paris 1898, 126, 1703.
43. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: Oxford, UK, 1987.
44. Panagiotopoulos, A. Z. Mol. Phys. 1987, 61, 813.
45. Panagiotopoulos, A. Z. Mol. Phys. 1987, 62, 701.
46. Panagiotopoulos, A. Z.; Quirke, N.; Stapleton, M.; Tildesley, D. J. Mol. Phys. 1988, 63, 527.
47. Smit, B.; de Smedt, P.; Frenkel, D. Mol. Phys. 1989, 68, 931.
48. Wick, C. D.; Siepmann, J. I.; Sheth, A. R.; Grant, D. W. R.; Karaborni, S. Cryst. Growth Des. 2006, 6, 1318.
49. Siepmann, J. I.; Frenkel, D. Mol. Phys. 1992, 75, 59.
50. Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1999, 103, 4508.
51. McDonald, I. R. Mol. Phys. 1972, 23, 41.
52. Chen, B.; Siepmann, J. I. J. Phys. Chem B 2000, 104, 8725.
53. Chen, B.; Siepmann, J. I. J. Phys. Chem. B 2001, 105, 11275.
54. Ambrose, D.; Lawrence, I. J.; Sprake, C. H. S. J. Chem. Thermodyn. 1976, 8, 503.
55. Colombia, M.; Jimenez, P.; Turrion, C. J. Chem. Thermodyn. 1982, 14, 779.
56. Prausnitz, J. M.; Lichtenthaler, R. N.; Gomes de Azevedo, E. Molecular Thermodynamics of Fluid-Phase Equilibria, 3rd ed.; Prentice Hall: Englewood Cliffs, NJ, 1999.
57. Press, W. L.; Flannery, B. P.; Teukolsky, S. A.; Wetterling, V. T. Numerical Recipes in Fortran 77; 2nd ed.; Cambridge University Press: Cambridge, UK, 1992.
58. Martin, M. G.; Chen, B.; Siepmann, J. I. J. Phys. Chem. B 2000, 104, 2415.
59. Chen, B.; Potoff, J. J.; Siepmann, J. I. J. Phys. Chem. B 2000, 104, 2378.
60. Johnston, K. P.; Kim, S.; Combes, J. Spectroscopic Determination of Solvent Strength and Structure in Supercritical Fluid Mixtures: A Review. In Supercritical Fluid Science and Technology; Johnston, K. P., Penninger, J. M. L. Eds.; American Chemical Society: Washington, DC, 1989; pp 52-70.
61. Stubbs, J. M.; Siepmann, J. I. J. Phys. Chem. B 2002, 106, 3968.