Structure and hydrogen bonding of liquid water at high hydrostatic pressures: Monte Carlo NPT-ensemble simulations up to 10 kbar

Journal of Molecular Liquids

Volumn 82, Issue 1-2, 1999, Pages 57-72

  Kalinichev, A G ^a,b   Gorbaty, Yu E ^a   Okhulkov, A V ^a  

^a INSTITUTE OF EXPERIMENTAL MINERALOGY   (Russian Federation)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0006276763     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0167-7322(99)00042-2     Document Type: Article

References (40)

1. D. Eisenberg, W. Kauzman, The Structure and Properties of Water, Oxford University Press, London, 1969.
2. K.H. Dudziak, E.U. Franck, Ber.Bunsenges.Phys.Chem., 70 (1966) 1120.
3. G.E. Walrafen, J.Sol.Chem., 2 (1973) 159.
4. G.E. Walrafen, M. Abebe, J.Chem.Phys., 68 (1978) 4694.
5. L.A. Woolf, J.Chem.Soc.Farad.Trans.I, 71 (1975) 784.
6. D.J. Wilbur, T. DeFries, J. Jonas, J.Chem.Phys., 65 (1976) 1783.
7. K. Krynicki, C.D. Green, D.W. Sawyer, Farad.Disc.Chem.Soc., 66 (1978) 199.
8. A.Y. Wu, E. Whalley, G. Dolling, Mol.Phys., 47 (1982) 603.
9. G.A. Gaballa, G.W. Neilson, Mol.Phys., 50 (1983) 97.
10. Yu.E. Gorbaty, Yu.N. Demianets, Mol.Phys., 55 (1985) 571.
11. J. Jonas, Y.T. Lee, J.Phys.: Condens. Matter, 4 (1992) 305.
12. F.H. Stillinger, A. Rahman, J.Chem.Phys., 61 (1974) 4973.
13. R.W. Impey, M.L. Klein, I.R. McDonald, J.Chem.Phys., 74 (1981) 647.
14. G. Jancsó, P. Bopp, K. Heinzinger, Chem.Phys., 85 (1984) 377.
15. G. Pálinkás, P. Bopp, G. Jancsó, K. Heinzinger, Z.Naturforsch., 39a (1984) 179.
16. M.R. Reddy, M. Berkowitz, J.Chem.Phys., 87 (1987) 6682.
17. J.D. Madura, B.M. Pettitt, D.F. Calef, Mol.Phys., 64 (1988) 325.
18. L.W. Dahl, H.C. Andersen, J.Chem.Phys., 78 (1983) 1980.
19. A.V. Okhulkov, Yu.N. Demianets, Yu.E. Gorbaty, J.Chem.Phys., 100 (1994) 1578.
20. M.-C. Bellissent-Funel, L. Bosio, J.Chem.Phys., 102 (1995) 3727.
21. T. Radnai, H. Ohtaki, Mol.Phys., 87 (1996) 103.
22. K. Karger, H.-D. Lüdeman, M.G. Sceats, Ber.Bunsenge.Phys.Chem., 99 (1995) 1104.
23. D. Cavaille, D. Combes, A. Zwick, J.Raman Spectroscopy, 27 (1996) 853.
24. A.G. Kalinichev, J.D. Bass, Chem.Phys.Lett, 231 (1994) 301.
25. A.G. Kalinichev, J.D. Bass, J.Phys.Chem.A, 101 (1997), 9720.
26. Yu.E. Gorbaty, A.G. Kalinichev, J.Phys.Chem., 99 (1995) 5336.
27. A.K. Soper, F. Bruni, M.A. Ricci, J.Chem.Phys., 106 (1997) 247.
28. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Oxford University Press, New York, 1987.
29. A.G. Kalinichev, Z.Naturforsch., 46a (1991) 433; 47a (1992) 992.
30. A.G. Kalinichev, Z.Naturforsch., 46a (1991) 433; 47a (1992) 992.
31. W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, M.L. Klein, J.Chem.Phys., 79 (1983) 926.
32. J. Brodholt, B.J. Wood, J.Geophys.Res., 98B (1993) 519.
33. R.W. Impey, M.L. Klein, J.S. Tse, J.Chem.Phys., 81, pt.II (1984) 6406.
34. A. Saul, W. Wagner, J.Phys.Chem.Ref.Data, 18 (1989) 1537.
35. H. Tanaka, I. Ohmine, J.Chem.Phys., 87 (1987) 6128.
36. K. Bagchi, S. Balasubramanian, M.L. Klein, J.Chem.Phys., 107 (1997) 8561.
37. M. Nakahara, T. Yamaguchi, H. Ohtaki, Recent Res. Devel., Phys. Chem., 1 (1997) 17.
38. J.P. Hansen, I.R. McDonald, Theory of Simple Liquids, Academic Press, London, 1976.
39. A.G. Kalinichev, K. Heinzinger, Geochimica et Cosmochimica Acta, 59 (1995) 641.
40. O.A. Karim, A.D. Haymet, J.Chem.Phys., 89 (1988) 6889.