Low-frequency Raman spectra of sub- and supercritical CO 2: Qualitative analysis of the diffusion coefficient behavior

Journal of Chemical Physics

Volumn 123, Issue 9, 2005, Pages

  Idrissi, A ^a   Longelin, S ^a   Damay, P ^a   Leclercq, F ^a  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CRITICAL ISOCHORE; LIQUID-GAS COEXISTENCE CURVES; MOLECULAR DYNAMIC SIMULATION; SUPERCRITICAL CO2; TRANSLATION ROTATION METHODS;

DIFFUSION; MATHEMATICAL TECHNIQUES; MOLECULAR DYNAMICS; RAMAN SPECTROSCOPY; THERMAL EFFECTS;

CARBON DIOXIDE;

EID: 24944565615     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1992476     Document Type: Article

References (51)

1. H. Versmold, Mol. Phys. 0026-8976 43, 383 (1981); P. E. Shoen, P. S. Y. Cheung, D. A. Jackson, and J. G. Powles, Mol. Phys. 0026-8976 116, 4985 (1975); K. Saitow, H. Ochiai, T. Kato, and K. Nishikawa, J. Chem. Phys. 116, 4985 (2002).
2. H. Versmold, Mol. Phys. 0026-8976 43, 383 (1981); P. E. Shoen, P. S. Y. Cheung, D. A. Jackson, and J. G. Powles, Mol. Phys. 0026-8976 116, 4985 (1975); K. Saitow, H. Ochiai, T. Kato, and K. Nishikawa, J. Chem. Phys. 116, 4985 (2002).
3. H. Versmold, Mol. Phys. 0026-8976 43, 383 (1981); P. E. Shoen, P. S. Y. Cheung, D. A. Jackson, and J. G. Powles, Mol. Phys. 0026-8976 116, 4985 (1975); K. Saitow, H. Ochiai, T. Kato, and K. Nishikawa, J. Chem. Phys. 116, 4985 (2002).
4. Y. Garrabos, M. A. Echargui, and F. Marsault-Herail, J. Chem. Phys. 0021-9606 10.1063/1.457455 91, 5869 (1989); Y. Garrabos, R. Tufeu, B. L. Neindre, G. Zaczer, and D. Beysens, J. Chem. Phys. 0021-9606 10.1063/1.439706 72, 4637 (1980); S. M. Howdel and V. N. Bagratashvili, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)90084-E 214, 215 (1993); S. M. Ikawa and Y. Fujita, J. Phys. Chem. 0022-3654 10.1021/j100143a015 97, 10607 (1993); S. F. Rice and J. J. Wickham, J. Raman Spectrosc. 31, 619 (2000); Y. Yagi, H. Tsugane, H. Inomata, and S. Saito, J. Supercrit. Fluids 0896-8446 10.1016/0896-8446(93) 90012-M 6, 139 (1993); S. G. Kazarian, N. H. Brantley, and C. A. Eckert, Vib. Spectrosc. 19, 277 (1999).
5. Y. Garrabos, M. A. Echargui, and F. Marsault-Herail, J. Chem. Phys. 0021-9606 10.1063/1.457455 91, 5869 (1989); Y. Garrabos, R. Tufeu, B. L. Neindre, G. Zaczer, and D. Beysens, J. Chem. Phys. 0021-9606 10.1063/1.439706 72, 4637 (1980); S. M. Howdel and V. N. Bagratashvili, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)90084-E 214, 215 (1993); S. M. Ikawa and Y. Fujita, J. Phys. Chem. 0022-3654 10.1021/j100143a015 97, 10607 (1993); S. F. Rice and J. J. Wickham, J. Raman Spectrosc. 31, 619 (2000); Y. Yagi, H. Tsugane, H. Inomata, and S. Saito, J. Supercrit. Fluids 0896-8446 10.1016/0896-8446(93) 90012-M 6, 139 (1993); S. G. Kazarian, N. H. Brantley, and C. A. Eckert, Vib. Spectrosc. 19, 277 (1999).
6. Y. Garrabos, M. A. Echargui, and F. Marsault-Herail, J. Chem. Phys. 0021-9606 10.1063/1.457455 91, 5869 (1989); Y. Garrabos, R. Tufeu, B. L. Neindre, G. Zaczer, and D. Beysens, J. Chem. Phys. 0021-9606 10.1063/1.439706 72, 4637 (1980); S. M. Howdel and V. N. Bagratashvili, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)90084-E 214, 215 (1993); S. M. Ikawa and Y. Fujita, J. Phys. Chem. 0022-3654 10.1021/j100143a015 97, 10607 (1993); S. F. Rice and J. J. Wickham, J. Raman Spectrosc. 31, 619 (2000); Y. Yagi, H. Tsugane, H. Inomata, and S. Saito, J. Supercrit. Fluids 0896-8446 10.1016/0896-8446(93) 90012-M 6, 139 (1993); S. G. Kazarian, N. H. Brantley, and C. A. Eckert, Vib. Spectrosc. 19, 277 (1999).
7. Y. Garrabos, M. A. Echargui, and F. Marsault-Herail, J. Chem. Phys. 0021-9606 10.1063/1.457455 91, 5869 (1989); Y. Garrabos, R. Tufeu, B. L. Neindre, G. Zaczer, and D. Beysens, J. Chem. Phys. 0021-9606 10.1063/1.439706 72, 4637 (1980); S. M. Howdel and V. N. Bagratashvili, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)90084-E 214, 215 (1993); S. M. Ikawa and Y. Fujita, J. Phys. Chem. 0022-3654 10.1021/j100143a015 97, 10607 (1993); S. F. Rice and J. J. Wickham, J. Raman Spectrosc. 31, 619 (2000); Y. Yagi, H. Tsugane, H. Inomata, and S. Saito, J. Supercrit. Fluids 0896-8446 10.1016/0896-8446(93) 90012-M 6, 139 (1993); S. G. Kazarian, N. H. Brantley, and C. A. Eckert, Vib. Spectrosc. 19, 277 (1999).
8. Y. Garrabos, M. A. Echargui, and F. Marsault-Herail, J. Chem. Phys. 0021-9606 10.1063/1.457455 91, 5869 (1989); Y. Garrabos, R. Tufeu, B. L. Neindre, G. Zaczer, and D. Beysens, J. Chem. Phys. 0021-9606 10.1063/1.439706 72, 4637 (1980); S. M. Howdel and V. N. Bagratashvili, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)90084-E 214, 215 (1993); S. M. Ikawa and Y. Fujita, J. Phys. Chem. 0022-3654 10.1021/j100143a015 97, 10607 (1993); S. F. Rice and J. J. Wickham, J. Raman Spectrosc. 31, 619 (2000); Y. Yagi, H. Tsugane, H. Inomata, and S. Saito, J. Supercrit. Fluids 0896-8446 10.1016/0896-8446(93) 90012-M 6, 139 (1993); S. G. Kazarian, N. H. Brantley, and C. A. Eckert, Vib. Spectrosc. 19, 277 (1999).
9. Y. Garrabos, M. A. Echargui, and F. Marsault-Herail, J. Chem. Phys. 0021-9606 10.1063/1.457455 91, 5869 (1989); Y. Garrabos, R. Tufeu, B. L. Neindre, G. Zaczer, and D. Beysens, J. Chem. Phys. 0021-9606 10.1063/1.439706 72, 4637 (1980); S. M. Howdel and V. N. Bagratashvili, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)90084-E 214, 215 (1993); S. M. Ikawa and Y. Fujita, J. Phys. Chem. 0022-3654 10.1021/j100143a015 97, 10607 (1993); S. F. Rice and J. J. Wickham, J. Raman Spectrosc. 31, 619 (2000); Y. Yagi, H. Tsugane, H. Inomata, and S. Saito, J. Supercrit. Fluids 0896-8446 10.1016/0896-8446(93) 90012-M 6, 139 (1993); S. G. Kazarian, N. H. Brantley, and C. A. Eckert, Vib. Spectrosc. 19, 277 (1999).
10. Y. Garrabos, M. A. Echargui, and F. Marsault-Herail, J. Chem. Phys. 0021-9606 10.1063/1.457455 91, 5869 (1989); Y. Garrabos, R. Tufeu, B. L. Neindre, G. Zaczer, and D. Beysens, J. Chem. Phys. 0021-9606 10.1063/1.439706 72, 4637 (1980); S. M. Howdel and V. N. Bagratashvili, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)90084-E 214, 215 (1993); S. M. Ikawa and Y. Fujita, J. Phys. Chem. 0022-3654 10.1021/j100143a015 97, 10607 (1993); S. F. Rice and J. J. Wickham, J. Raman Spectrosc. 31, 619 (2000); Y. Yagi, H. Tsugane, H. Inomata, and S. Saito, J. Supercrit. Fluids 0896-8446 10.1016/0896-8446(93) 90012-M 6, 139 (1993); S. G. Kazarian, N. H. Brantley, and C. A. Eckert, Vib. Spectrosc. 19, 277 (1999).
11. P. Lalanne, T. Tassaing, Y. Danten, and M. Besnard, J. Mol. Liq. 0167-7322 10.1016/S0167-7322(01)00317-8 98, 201 (2002); T. Tassaing, Y. Danten, and M. Besnard, J. Mol. Liq. 0167-7322 10.1016/S0167-7322(02)00089-2 101, 149 (2002); N. Wada, M. Saito, D. Kitada, R. L. Smith, J. H. Inomata, K. Arai, and S. Saito, J. Phys. Chem. B 101, 10918 (1997).
12. P. Lalanne, T. Tassaing, Y. Danten, and M. Besnard, J. Mol. Liq. 0167-7322 10.1016/S0167-7322(01)00317-8 98, 201 (2002); T. Tassaing, Y. Danten, and M. Besnard, J. Mol. Liq. 0167-7322 10.1016/S0167-7322(02)00089-2 101, 149 (2002); N. Wada, M. Saito, D. Kitada, R. L. Smith, J. H. Inomata, K. Arai, and S. Saito, J. Phys. Chem. B 101, 10918 (1997).
13. P. Lalanne, T. Tassaing, Y. Danten, and M. Besnard, J. Mol. Liq. 0167-7322 10.1016/S0167-7322(01)00317-8 98, 201 (2002); T. Tassaing, Y. Danten, and M. Besnard, J. Mol. Liq. 0167-7322 10.1016/S0167-7322(02)00089-2 101, 149 (2002); N. Wada, M. Saito, D. Kitada, R. L. Smith, J. H. Inomata, K. Arai, and S. Saito, J. Phys. Chem. B 101, 10918 (1997).
14. K. Kiyohara, Y. Kimura, Y. Takebayashi, N. Hirota, and K. Ohta, J. Chem. Phys. 117, 9867 (2002).
15. T. A. Betts, J. Zagrobelny, and F. V. Bright, J. Am. Chem. Soc. 0002-7863 10.1021/ja00047a027 114, 8163 (1992); J. Zhang, D. P. Roek, J. E. Chateauneuf, and J. F. Brenecke, J. Am. Chem. Soc. 0002-7863 10.1021/ja964244o 119, 9980 (1997); O. Kajimoto, K. Sekiguchi, T. Nayuki, and T. Kobayashi, Ber. Bunsenges. Phys. Chem. 101, 600 (1997).
16. T. A. Betts, J. Zagrobelny, and F. V. Bright, J. Am. Chem. Soc. 0002-7863 10.1021/ja00047a027 114, 8163 (1992); J. Zhang, D. P. Roek, J. E. Chateauneuf, and J. F. Brenecke, J. Am. Chem. Soc. 0002-7863 10.1021/ja964244o 119, 9980 (1997); O. Kajimoto, K. Sekiguchi, T. Nayuki, and T. Kobayashi, Ber. Bunsenges. Phys. Chem. 101, 600 (1997).
17. T. A. Betts, J. Zagrobelny, and F. V. Bright, J. Am. Chem. Soc. 0002-7863 10.1021/ja00047a027 114, 8163 (1992); J. Zhang, D. P. Roek, J. E. Chateauneuf, and J. F. Brenecke, J. Am. Chem. Soc. 0002-7863 10.1021/ja964244o 119, 9980 (1997); O. Kajimoto, K. Sekiguchi, T. Nayuki, and T. Kobayashi, Ber. Bunsenges. Phys. Chem. 101, 600 (1997).
18. O. F. Nielson, Annu. Rep. Prog. Chem., Sect. C: Phys. Chem. 93, 57 (1997).
19. V. S. Libov and T. S. Perova, Russ. J. Phys. Chem. 54, 549 (1980).
20. E. Duval, A. Boukentar, and T. Achibat, J. Phys.: Condens. Matter 2, 10227 (1990).
21. A. Idrissi, S. Longelin, and F. Sokolic, J. Phys. Chem. B 1089-5647 10.1021/jp004217r 105, 6004 (2001); A. Idrissi, F. Sokolic, and A. Perera, J. Chem. Phys. 112, 9479 (2000).
22. A. Idrissi, S. Longelin, and F. Sokolic, J. Phys. Chem. B 1089-5647 10.1021/jp004217r 105, 6004 (2001); A. Idrissi, F. Sokolic, and A. Perera, J. Chem. Phys. 112, 9479 (2000).
23. J. P. Hansen, in Hydrogen-Bonded Liquids, edited by, J. C. Dore, and, J. Teixeira, (Kluwer Academic Publishers, Dodrecht, 1989); M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987).
24. J. P. Hansen, in Hydrogen-Bonded Liquids, edited by, J. C. Dore, and, J. Teixeira, (Kluwer Academic Publishers, Dodrecht, 1989); M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1987).
25. H. Higashi, Y. Iwai, and Y. Arai, Ind. Eng. Chem. Res. 39, 4567 (2000).
26. J. S. Duffield and M. Harris, Ber. Bunsenges. Phys. Chem. 80, 1153 (1976).
27. K. Krynicki, A. L. Megagi, and J. G. Powles, Ber. Bunsenges. Phys. Chem. 85, 1153 (1981).
28. P. Etesse, A. M. Ward, W. V. House, and R. Kobayashi, Physica B 0921-4526 10.1016/0921-4526(93)90052-8 183, 45 (1993); P. E. Etesse, J. A. Zeag, and R. Kobayashi, J. Chem. Phys. 97, 2002 (1992).
29. P. Etesse, A. M. Ward, W. V. House, and R. Kobayashi, Physica B 0921-4526 10.1016/0921-4526(93)90052-8 183, 45 (1993); P. E. Etesse, J. A. Zeag, and R. Kobayashi, J. Chem. Phys. 97, 2002 (1992).
30. H. Hamann, C. Hoheisel, and H. Richtering, Ber. Bunsenges. Phys. Chem. 76, 249 (1972).
31. A. N. Drozdov and S. C. Tucker, J. Chem. Phys. 0021-9606 10.1063/1.1349095 114, 4912 (2001); K. Rah and B. C. Eu, Mol. Phys. 0026-8976 10.1080/00268970210162673 100, 3281 (2002); A. G. Kalinchev and K. Heinzinger, Geochim. Cosmochim. Acta 0016-7037 10.1016/0016-7037(94)00289-X 59, 641 (1995); R. K. Sharma, K. N. Pathak, K. Tankeshwar, and S. Ranganathan, Phys. Chem. Liq. 0031-9104 29, 59 (1995); G. Steinebrunner, A. J. Dyson, B. Kirchner, and H. Huber, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc19981177 63, 1177 (1998); T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 0022-3654 10.1021/j100100a042 98, 13067 (1994); E. Gùrdia and J. Marti, J. Mol. Liq. 101, 137 (2002).
32. A. N. Drozdov and S. C. Tucker, J. Chem. Phys. 0021-9606 10.1063/1.1349095 114, 4912 (2001); K. Rah and B. C. Eu, Mol. Phys. 0026-8976 10.1080/00268970210162673 100, 3281 (2002); A. G. Kalinchev and K. Heinzinger, Geochim. Cosmochim. Acta 0016-7037 10.1016/0016-7037(94)00289-X 59, 641 (1995); R. K. Sharma, K. N. Pathak, K. Tankeshwar, and S. Ranganathan, Phys. Chem. Liq. 0031-9104 29, 59 (1995); G. Steinebrunner, A. J. Dyson, B. Kirchner, and H. Huber, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc19981177 63, 1177 (1998); T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 0022-3654 10.1021/j100100a042 98, 13067 (1994); E. Gùrdia and J. Marti, J. Mol. Liq. 101, 137 (2002).
33. A. N. Drozdov and S. C. Tucker, J. Chem. Phys. 0021-9606 10.1063/1.1349095 114, 4912 (2001); K. Rah and B. C. Eu, Mol. Phys. 0026-8976 10.1080/00268970210162673 100, 3281 (2002); A. G. Kalinchev and K. Heinzinger, Geochim. Cosmochim. Acta 0016-7037 10.1016/0016-7037(94)00289-X 59, 641 (1995); R. K. Sharma, K. N. Pathak, K. Tankeshwar, and S. Ranganathan, Phys. Chem. Liq. 0031-9104 29, 59 (1995); G. Steinebrunner, A. J. Dyson, B. Kirchner, and H. Huber, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc19981177 63, 1177 (1998); T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 0022-3654 10.1021/j100100a042 98, 13067 (1994); E. Gùrdia and J. Marti, J. Mol. Liq. 101, 137 (2002).
34. A. N. Drozdov and S. C. Tucker, J. Chem. Phys. 0021-9606 10.1063/1.1349095 114, 4912 (2001); K. Rah and B. C. Eu, Mol. Phys. 0026-8976 10.1080/00268970210162673 100, 3281 (2002); A. G. Kalinchev and K. Heinzinger, Geochim. Cosmochim. Acta 0016-7037 10.1016/0016-7037(94)00289-X 59, 641 (1995); R. K. Sharma, K. N. Pathak, K. Tankeshwar, and S. Ranganathan, Phys. Chem. Liq. 0031-9104 29, 59 (1995); G. Steinebrunner, A. J. Dyson, B. Kirchner, and H. Huber, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc19981177 63, 1177 (1998); T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 0022-3654 10.1021/j100100a042 98, 13067 (1994); E. Gùrdia and J. Marti, J. Mol. Liq. 101, 137 (2002).
35. A. N. Drozdov and S. C. Tucker, J. Chem. Phys. 0021-9606 10.1063/1.1349095 114, 4912 (2001); K. Rah and B. C. Eu, Mol. Phys. 0026-8976 10.1080/00268970210162673 100, 3281 (2002); A. G. Kalinchev and K. Heinzinger, Geochim. Cosmochim. Acta 0016-7037 10.1016/0016-7037(94)00289-X 59, 641 (1995); R. K. Sharma, K. N. Pathak, K. Tankeshwar, and S. Ranganathan, Phys. Chem. Liq. 0031-9104 29, 59 (1995); G. Steinebrunner, A. J. Dyson, B. Kirchner, and H. Huber, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc19981177 63, 1177 (1998); T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 0022-3654 10.1021/j100100a042 98, 13067 (1994); E. Gùrdia and J. Marti, J. Mol. Liq. 101, 137 (2002).
36. A. N. Drozdov and S. C. Tucker, J. Chem. Phys. 0021-9606 10.1063/1.1349095 114, 4912 (2001); K. Rah and B. C. Eu, Mol. Phys. 0026-8976 10.1080/00268970210162673 100, 3281 (2002); A. G. Kalinchev and K. Heinzinger, Geochim. Cosmochim. Acta 0016-7037 10.1016/0016-7037(94)00289-X 59, 641 (1995); R. K. Sharma, K. N. Pathak, K. Tankeshwar, and S. Ranganathan, Phys. Chem. Liq. 0031-9104 29, 59 (1995); G. Steinebrunner, A. J. Dyson, B. Kirchner, and H. Huber, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc19981177 63, 1177 (1998); T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 0022-3654 10.1021/j100100a042 98, 13067 (1994); E. Gùrdia and J. Marti, J. Mol. Liq. 101, 137 (2002).
37. A. N. Drozdov and S. C. Tucker, J. Chem. Phys. 0021-9606 10.1063/1.1349095 114, 4912 (2001); K. Rah and B. C. Eu, Mol. Phys. 0026-8976 10.1080/00268970210162673 100, 3281 (2002); A. G. Kalinchev and K. Heinzinger, Geochim. Cosmochim. Acta 0016-7037 10.1016/0016-7037(94)00289-X 59, 641 (1995); R. K. Sharma, K. N. Pathak, K. Tankeshwar, and S. Ranganathan, Phys. Chem. Liq. 0031-9104 29, 59 (1995); G. Steinebrunner, A. J. Dyson, B. Kirchner, and H. Huber, Collect. Czech. Chem. Commun. 0010-0765 10.1135/cccc19981177 63, 1177 (1998); T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 0022-3654 10.1021/j100100a042 98, 13067 (1994); E. Gùrdia and J. Marti, J. Mol. Liq. 101, 137 (2002).
38. R. Shuker and R. W. Gammon, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.25.222 25, 222 (1970); C. S. Murthy, K. Singer, and I. R. McDonald, Mol. Phys. 0026-8976 44, 135 (1981); M. H. Brooker, O. F. Nielson, and E. Praestgaard, J. Raman Spectrosc. 19, 71 (1988).
39. R. Shuker and R. W. Gammon, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.25.222 25, 222 (1970); C. S. Murthy, K. Singer, and I. R. McDonald, Mol. Phys. 0026-8976 44, 135 (1981); M. H. Brooker, O. F. Nielson, and E. Praestgaard, J. Raman Spectrosc. 19, 71 (1988).
40. R. Shuker and R. W. Gammon, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.25.222 25, 222 (1970); C. S. Murthy, K. Singer, and I. R. McDonald, Mol. Phys. 0026-8976 44, 135 (1981); M. H. Brooker, O. F. Nielson, and E. Praestgaard, J. Raman Spectrosc. 19, 71 (1988).
41. W. F. Murphy, M. H. Brooker, O. F. Nielson, E. Praestgaard, and J. E. Bertie, J. Raman Spectrosc. 20, 695 (1989).
42. J. G. Harris and K. H. Yung, J. Phys. Chem. 99, 12021 (1995).
43. S. Angus, B. Armstrong, and K. M. deReuck, Carbon Dioxide International Thermodynamic Tables of the Fluid State (IUPAC Project Centre, Imperial College, London, 1976).
44. S. C. Tucker and M. W. Maddox, J. Phys. Chem. B 102, 2437 (1998).
45. S. Koneshan, R. M. Lynden-Bell, and J. C. Rasaiah, J. Am. Chem. Soc. 0002-7863 10.1021/ja981997x 120, 12041 (1998); P. G. Wolynes, J. Chem. Phys. 0021-9606 10.1063/1.438621 71, 2644 (1979); R. Biswas and B. Bagchi, J. Am. Chem. Soc. 119, 5946 (1997).
46. S. Koneshan, R. M. Lynden-Bell, and J. C. Rasaiah, J. Am. Chem. Soc. 0002-7863 10.1021/ja981997x 120, 12041 (1998); P. G. Wolynes, J. Chem. Phys. 0021-9606 10.1063/1.438621 71, 2644 (1979); R. Biswas and B. Bagchi, J. Am. Chem. Soc. 119, 5946 (1997).
47. S. Koneshan, R. M. Lynden-Bell, and J. C. Rasaiah, J. Am. Chem. Soc. 0002-7863 10.1021/ja981997x 120, 12041 (1998); P. G. Wolynes, J. Chem. Phys. 0021-9606 10.1063/1.438621 71, 2644 (1979); R. Biswas and B. Bagchi, J. Am. Chem. Soc. 119, 5946 (1997).
48. J. A. Padro and J. Marti, J. Chem. Phys. 0021-9606 10.1063/1.1524619 118, 452 (2003); J. A. Padro, J. Marti, and E. Gùrdia, J. Chem. Phys. 105, 639 (1996).
49. J. A. Padro and J. Marti, J. Chem. Phys. 0021-9606 10.1063/1.1524619 118, 452 (2003); J. A. Padro, J. Marti, and E. Gùrdia, J. Chem. Phys. 105, 639 (1996).
50. H. A. O'Hern and J. J. Martin, Ind. Eng. Chem. 42, 2081 (1955).
51. W. L. Robb and C. Drickamer, J. Chem. Phys. 41, 1504 (1951).