Can the molecular Ornstein-Zernike theory be used to study water under supercritical conditions?

Journal of Molecular Liquids

Volumn 87, Issue 2, 2000, Pages 177-189

  Richardi, Johannes ^a   Jedlovszky, Pál ^b,c   Fries, Pascal H ^a   Millot, Claude ^d  

^a Dept Rech Fond MC   (France)

^b MOUNT SINAI SCHOOL OF MEDICINE   (United States)

^c CHEMICAL RESEARCH CENTER   (Hungary)

^d UNIVERSITÉ DE LORRAINE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ISOTOPES; MOLECULAR STRUCTURE; NEUTRON DIFFRACTION; NUCLEAR MAGNETIC RESONANCE; PERMITTIVITY; SUPERCRITICAL FLUIDS;

FLUID PROPERTIES; MOLECULAR ORNSTEIN-ZERNIKE (MOZ) THEORY;

MOLECULAR DYNAMICS;

EID: 0034274008     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0167-7322(00)00120-3     Document Type: Article

References (37)

1. A. K. Soper, F. Bruni, and M. A. Ricci, J. Chem. Phys. 106, 247 (1997).
2. M. C. Bellissent-Funel, T. Tassaing, H. Zhao, D. Beysens, B. Guillot, and Y. Guissani, J. Chem. Phys. 107, 2942 (1997).
3. T. Tassaing, M. C. Bellissent-Funel, B. Guillot, and Y. Guissani, Europhys. Lett. 42, 265 (1998).
4. M. M. Hoffmann and M. S. Conradi, J. Am. Chem. Soc. 119, 3811 (1997).
5. A. G. Kalinichev, Z. Naturforsch. 46a, 433 (1991).
6. A. G. Kalinichev, Z. Naturforsch. 47a, 992 (1992).
7. Y. Guissani, and B. Guillot, J. Chem. Phys. 98, 8221 (1993).
8. A. A. Chialvo, and P. T. Cummings, J. Chem. Phys. 101, 4466 (1994).
9. A. A. Chialvo, and P. T. Cummings, J. Phys. Chem. 100, 1309 (1996).
10. T. I. Mizan, P. E. Savage, R. M. Ziff, J. Chem. Phys. 100, 403 (1996).
11. P. Jedlovszky, and R. Vallauri, J. Chem. Phys. 105, 2391 (1996).
12. A. G. Kalinichev and J. D. Bass, J. Phys. Chem. A 101, 9720 (1997).
13. P. Jedlovsky, J. P. Brodholt, F. Bruni, M. A. Ricci, A. K. Soper, R. Vallauri, J. Chem. Phys. 108, 8528 (1998).
14. E. S. Fois, M. Sprik, and M. Parrinello, Chem. Phys. Lett. 223, 411 (1994).
15. A. A. Chialvo, and P. T. Cummings, J. Chem. Phys. 105, 8274 (1996).
16. I. M. Svishchev, P. G. Kusalik, J. Wang, and R. J. Boyd, J. Chem. Phys. 105, 4742 (1996).
17. L. X. Dang, J. Phys. Chem. B 102, 620 (1998).
18. K. Kiyohara, K. F. Gubbins, and A. Z. Panagiotopoulos, Mol. Phys. 94, 803 (1998).
19. P. Jedlovszky and J. Richardi, J. Chem. Phys. 110, 8019 (1999).
20. J. Richardi, C. Millot, and P. H. Fries, J. Chem. Phys. 110, 1138 (1999).
21. F. Lado, E. Lomba, and M. Lombardero, J. Chem. Phys. 103, 481 (1995).
22. J. Richardi, P. H. Fries, R. Fischer, S. Rast, and H. Krienke, Mol. Liq. 73 & 74, 465 (1997).
23. J. Richardi, P. H. Fries, R. Fischer, S. Rast, and H. Krienke, Mol. Phys. 93, 925 (1998).
24. L. X. Dang and T. M. Chang, J. Chem. Phys. 106, 8149 (1997).
25. M. Lombardero, C. Martín, S. Jorge, F. Lado, and E. Lomba, J. Chem. Phys. 110, 1148 (1999).
26. The results by the molecular Ornstein-Zernike theory presented here have been shown in the poster: J. Richardi, P. H. Fries, C. Millot and H. Krienke, Properties of water and methanol via the molecular Ornstein-Zernike theory, 5th Liblice Conference on the Statistical Mechanics of Liquids, Zelezná Ruda (Czech Republic), June 7-12, 1998.
27. J. Richardi, P. H. Fries, and H. Krienke, J. Phys. Chem. B 102, 5196 (1998).
28. P. H. Fries, W. Kunz, P. Calmettes, and P. Turq, J. Chem. Phys. 101, 554 (1994)
29. J. A. Barker and R. O. Watts, Mol. Phys. 26, 789 (1973).
30. M. Neumann, J. Chem. Phys. 82, 5663 (1985).
31. P. Jedlovszky and R. Vallauri, J. Chem. Phys. 107, 10166 (1997).
32. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
33. P. G. Kusalik and I. M. Svishchev, Science 265, 1219 (1994).
34. D. Beglov and B. Roux, J. Phys. Chem. B 101, 7821 (1997).
35. M. S. Wertheim, J. Stat. Phys. 42, 459 (1986).
36. M. S. Wertheim, J. Stat. Phys. 42, 477 (1986).
37. P. H. Fries and J. Richardi, to be published.