Molecular simulation and electron paramagnetic resonance (EPR) studies of rapid bimolecular reactions in supercritical fluids

International Journal of Thermophysics

Volumn 17, Issue 2, 1996, Pages 471-481

  Ganapathy, S ^a   Randolph, T W ^b   Carlier, C ^b   O'Brien, J A ^a  

^a Yale University   (United States)

^b UCB 450   (United States)

Author keywords

Brownian dynamics; Diffusion controlled reactions; Electron paramagnetic resonance spectroscopy; Molecular dynamics; Supercritical fluids

Indexed keywords

EID: 0011701084     PISSN: 0195928X     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF01443404     Document Type: Article

References (34)

1. S. Kim and K. P. Johnston, Ind. Eng. Chem. Res. 26:1206 (1987).
2. C. R. Yonker and R. D. Smith, J. Phys. Chem. 92:235 (1988).
3. K. Nakagawa, A. Ejiri, K. Kimura, and M. Nishikawa, Phys. Scripta 41:140 (1990).
4. K. Nakagawa, Radiat. Phys. Chem. 37:643 (1991).
5. J. F. Brennecke, D. L. Tomasko, J. Peshkin, and C. A. Eckert, Ind. Eng. Chem. Res. 29:1682 (1990).
6. Y.-P. Sun, M. A. Fox, and K. P. Johnston, J. Am. Chem. Soc. 114:1187 (1992).
7. C. Carlier and T. W. Randolph, AIChE J. 39:876 (1993).
8. H. D. Cochran and L. L. Lee, ACS Symp. Ser. 448:60 (1992).
9. P. G. Debenedetti., Chem. Eng. Sci. 42:2203 (1987).
10. B. L. Knutson, D. L. Tomasko, C. A. Eckert, P. G. Debenedetti, and A. A. Chialvo, in Supercritical Fluid Technology, F. V. Bright and M. E. P. McNally, eds., ACS Symp. Ser. 448:60 (1992).
11. K. P. Johnston and C. Hayes, AIChE J. 33:2017 (1987).
12. J. E. Chateauneuf, C. B. Roberts, and J. F. Brennecke, in Supercritical Fluid Technology, F. V. Bright and M. E. P. McNally, eds., ACS Symp. Ser. 448:48 (1992).
13. J. Zagrobelny and F. V. Bright. J. Am. Chem. Soc. 114:7821 (1992).
14. C. B. Roberts, Z. Zhang, J. F. Brennecke, and J. E. Chateauneuf, J. Phys. Chem. 97:5618 (1993).
15. B. Otto, J. Schroeder, and J. Troe, J. Chem. Phys. 81:202 (1984).
16. J. R. Combes, K. P. Johnston, K. E. O'Shea, and M. A. Fox, Supercritical Fluid Technology, F. V. Bright and M. E. P. McNally, in ACS Symp. Ser. 448:31 (1992).
17. Y. N. Molin, K. M. Salikhov, and K. I. Zamaraev, Spin Exchange Principles and Applications in Chemistry and Biology (Springer Verlag, New York, 1980).
18. T. W. Randolph and C. Carlier, J. Phys. Chem. 96:5146 (1992).
19. J. A. O'Brien, T. W. Randolph, C. Carlier, and S. Ganapathy, AIChE J. 39:1061 (1993).
20. J. M. Prausnitz, Molecular Thermodynamics of Fluid Phase Equilibra (Prentice-Hall, Englewood Cliffs, NJ, 1969), p. 107.
21. S. Ganapathy, T. W. Randolph, and J. A. O'Brien, AIChE J., in press (1995).
22. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987).
23. B. Smit, P. De Smedt, and D. Frenkel, Mol. Phys. 68:931 (1989).
24. D. B. McGuigan and P. A. Monson, Fluid Phase Equil. 57:227 (1990).
25. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1954).
26. S. Chapman and T. G. Cowling, The Mathematical Theory of Non-Uniform Gases (Cambridge University Press, Cambridge, U.K., 1970).
27. T. W. Randolph, J. A. O'Brien, and S. Ganapathy, J. Phys. Chem. 98:4173 (1994).
28. M. V. Z. Smoluchowski, Phys. Chem. 92:129 (1917).
29. D. M. Bartels, A. D. Trifuac, and R. G. Lawler, Chem. Phys. Lett. 152:109 (1988).
30. D. L. Bunker, J. Chem. Phys. 32:1001 (1960).
31. N. Agmon, J. Chem. Phys. 81:3644 (1984).
32. S. Chandrasekhar, Rev. Mod. Phys. 15:1 (1943).
33. A. Szabo, K. Schulten, and Z. Schulten, J. Chem. Phys. 72:4350 (1980).
34. A. G. Zawadzki and J. T. Hynes, J. Phys. Chem. 93:7031 (1989).