Structural study of supercritical water. I. Nuclear magnetic resonance spectroscopy

Journal of Chemical Physics

Volumn 107, Issue 21, 1997, Pages 9133-9140

  Matubayasi, Nobuyuki ^a   Wakai, Chihiro ^a   Nakahara, Masaru ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DENSITY OF LIQUIDS; EQUATIONS OF STATE OF LIQUIDS; HYDROGEN BONDS; MAGNETIC PERMEABILITY; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHASE DIAGRAMS; PROTONS; TEMPERATURE; THERMODYNAMICS; WATER;

STATISTICAL THERMODYNAMICS; SUPERCRITICAL TEMPERATURE; SUPERCRITICAL WATER;

MOLECULAR STRUCTURE;

EID: 0031337968     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475205     Document Type: Article

References (47)

1. In this paper, the term "supercritical water" refers to fluid water at a temperature above the critical. Note that the density (or pressure) is not specified.
2. J. W. Tester, H. R. Holgate, F. J. Armellini, P. A. Webley, W. R. Killilea, G. T. Hong, and H. E. Barner, in ACS Symposium Series 518, edited by D. W. Tedder and F. G. Pohland (American Chemical Society, Washington D.C., 1993).
3. R. W. Shaw, T. B. Brill, A. A. Clifford, C. A. Eckert, and E. U. Franck, Chem. Eng. News 69, 26 (1991).
4. J. S. Seewald, Nature 370, 285 (1994).
5. F. N. Spiess et al., Science 207, 1421 (1980).
6. M. Nakahara, T. Tennoh, C. Wakai, E. Fujita, and H. Enomoto, Chem. Lett. 1997, 163.
7. D. M. Pfund, J. G. Darab, J. L. Fulton, and Y. Ma, J. Phys. Chem. 98, 13102 (1994).
8. L. W. Flanagin, P. B. Balbuena, K. P. Johnston, and P. J. Rossky, J. Phys. Chem. 99, 5196 (1995).
9. M. Nakahara, T. Yamaguchi, and H. Ohtaki, Recent Res. Devel. Phys. Chem. 1, 17 (1997).
10. R. D. Mountain, J. Chem. Phys. 90, 1866 (1989).
11. P. T. Cummings, H. D. Cochran, J. M. Simonson, R. E. Mesmer, and S. Karaborni, J. Chem. Phys. 94, 5606 (1991).
12. Y. Guissani and B. Guillot, J. Chem. Phys. 98, 8221 (1993).
13. T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 98, 13067 (1994).
14. G. Löffler, H. Schreiber, and O. Steinhauser, Ber. Bunsenges. Phys. Chem. 98, 1575 (1994).
15. A. A. Chialvo and P. T. Cummings, J. Chem. Phys. 101, 4466 (1994).
16. A. G. Kalinichev and J. D. Bass, Chem. Phys. Lett. 231, 301 (1994).
17. R. D. Mountain, J. Chem. Phys. 103, 3084 (1995).
18. E. S. Fois, M. Sprik, and M. Parrinello, Chem. Phys. Lett. 223, 411 (1994).
19. P. Postorino, R. H. Tromp, M. A. Ricci, A. K. Soper, and G. W. Neilson, Nature 366, 668 (1993).
20. R. H. Tromp, P. Postorino, G. W. Neilson, M. A. Ricci, and A. K. Soper, J. Chem. Phys. 101, 6210 (1994).
21. A. K. Soper, F. Bruni, and M. A. Ricci, J. Chem. Phys. 106, 247 (1997).
22. Y. E. Gorbaty and Y. N. Demianets, Chem. Phys. Lett. 100, 450 (1983).
23. K. Yamanaka, T. Yamaguchi, and H. Wakita, J. Chem. Phys. 101, 9830 (1994).
24. Y. E. Gorbaty and A. G. Kalinichev, J. Phys. Chem. 99, 5336 (1995).
25. N. Matubayasi, C. Wakai, and M. Nakahara, Phys. Rev. Lett. 78, 2573, 4309 (1997).
26. M. M. Hoffmann and M. S. Conradi, J. Am. Chem. Soc. 119, 3811 (1997).
27. E. U. Franck and K. Roth, Discuss. Faraday Soc. 43, 108 (1967).
28. W. Kohl, H. A. Lindner, and E. U. Franck, Ber. Bunsenges. Phys. Chem. 95, 1586 (1991).
29. C. I. Ratcliffe and D. E. Irish, J. Phys. Chem. 86. 4897 (1982).
30. G. E. Walrafen, Y. C. Chu, and G. J. Piermarini, J. Phys. Chem. 100, 10363 (1996).
31. J. Jonas, Rev. Sci. Instrum. 43, 643 (1972).
32. J. Jonas, T. DeFries, and W. J. Lamb, J. Chem. Phys. 68, 2988 (1978).
33. T. H. DeFries and J. Jonas, J. Magn. Reson. 35, 111 (1979).
34. W. J. Lamb and J. Jonas, J. Chem. Phys. 74, 913 (1981).
35. W. J. Lamb, G. A. Hoffman, and J. Jonas, J. Chem. Phys. 74, 6875 (1981).
36. J. Jonas, Science 216, 1179 (1982).
37. N. Matubayasi, M. Nakahara, and C. Wakai (in preparation).
38. C. Wakui and M. Nakahara, J. Chem. Phys. 100, 8347 (1994).
39. M. M. Hoffmann and M. S. Conradi, Rev. Sci. Instrum. 68, 159 (1997).
40. -6 e.m.u/mol.
41. W. G. Schneider, H. J. Bernstein, and J. A. Pople, J. Chem. Phys. 28, 601 (1958).
42. J. C. Hindman, J. Chem. Phys. 44, 4582 (1966).
43. The International Association for the Properties of Water and Steam, IAPWS Formulation 1995, Fredericia, Denmark, 1996.
44. M, Nakahara and C. Wakai, Chem. Lett. 1992, 809.
45. Y. Kimura, Y. Yoshimura, and M. Nakahara, J. Chem. Phys. 90, 5679 (1989).
46. Y. Kimura and Y. Yoshimura, J. Chem. Phys. 96, 3085 (1992).
47. C. Wakai and M. Nakahara, J. Chem. Phys. 103, 2025 (1995).