Spatial hydration maps and dynamics of naphthalene in ambient and supercritical water

Journal of Chemical Physics

Volumn 128, Issue 12, 2008, Pages

  Svishchev, Igor M ^a   Plugatyr, Andriy ^a   Nahtigal, Istok G ^a  

^a TRENT UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

HYDRATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR MODELING; SOLUTIONS; SUPERCRITICAL FLUIDS;

AROMATIC STRUCTURE; ATOMIC PAIR DENSITY; HYDRATION MAPS; MOLECULAR DYNAMICS SIMULATIONS; SUPERCRITICAL WATER;

NAPHTHALENE;

NAPHTHALENE; NAPHTHALENE DERIVATIVE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; PRESSURE; SOLUTION AND SOLUBILITY; TEMPERATURE; X RAY DIFFRACTION;

COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, CHEMICAL; NAPHTHALENES; PRESSURE; SOLUTIONS; TEMPERATURE; WATER; X-RAY DIFFRACTION;

EID: 41549121477     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2894472     Document Type: Article

References (31)

1. A. Ben-Naim, Hydrophobic Interactions (Plenum, New York, 1980).
2. L. R. Pratt, Annu. Rev. Phys. Chem. 53, 409 (2002).
3. D. Chandler, Nature (London) 437, 640 (2005).
4. T. M. Raschke and M. Levitt, J. Phys. Chem. B 108, 13492 (2004).
5. S. Urahata, K. Coutinho, and S. Canuto, Chem. Phys. Lett. 274, 269 (1997).
6. S. Urahata and S. Canuto, Chem. Phys. Lett. 313, 235 (1999).
7. W. L. Jorgensen and D. L. Severance, J. Am. Chem. Soc. 112, 4768 (1990).
8. G. Ravishanker, P. K. Mehrotra, M. Mezei, and D. L. Beveridge, J. Am. Chem. Soc. 106, 4102 (1984).
9. P. Linse, G. Karlstrom, and B. Jonssont, J. Am. Chem. Soc. 106, 4096 (1984).
10. P. Linse, J. Am. Chem. Soc. 112, 1744 (1990).
11. A. Laaksonen, P. Stilbs, and R. E. Wasylishen, J. Chem. Phys. 108, 455 (1998).
12. E. C. Meng and P. A. Kollman, J. Phys. Chem. 100, 11460 (1996).
13. P. Schravendijk and N. F. A. van der Vegt, J. Chem. Theory Comput. 1, 643 (2005).
14. P. T. Cummings, A. A. Chialvo, and H. D. Cochran, Chem. Eng. Sci. 49, 2735 (1994).
15. C. J. Gruenloh, J. R. Carney, C. A. Arrington, T. S. Zwier, S. Y. Fredericks, and K. D. Jordan, Science 276, 1678 (1997).
16. N. A. McDonald, H. A. Carlson, and W. L. Jorgensen, J. Phys. Org. Chem. 10, 563 (1997).
17. S. Tsuzuki, K. Honda, T. Uchimaru, and M. Mikami, J. Chem. Phys. 120, 647 (2004).
18. K. J. Shinoda, J. Phys. Chem. 81, 1300 (1977).
19. D. Evans and P. J. Wightmann, J. Colloid Interface Sci. 71, 147 (1979).
20. D. Evans, M. Allen, B. Ninham, and A. Fouda, J. Solution Chem. 13, 87 (1984).
21. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
22. G. C. Boulougouris, I. G. Economou, and D. N. Theodorou, J. Phys. Chem. B 102, 1029 (1998).
23. T. M. Hayward and I. M. Svishchev, Fluid Phase Equilib. 182, 65 (2001).
24. D. J. Evans and J. P. Morriss, Comput. Phys. Rep. 1, 297 (1984).
25. D. J. Evans, Mol. Phys. 34, 317 (1977).
26. I. M. Svishchev and P. G. Kusalik, J. Chem. Phys. 99, 3049 (1993).
27. A. Soper, J. Chem. Phys. 101, 6888 (1994).
28. A. Plugatyr, I. Nahtigal, and I. M. Svishchev, J. Phys. Chem. 124, 24507 (2006).
29. K. E. Gustafson and R. M. Dickhut, J. Chem. Eng. Data 39, 281 (1994).
30. T. Tominaga, S. Matsumoto, and T. J. Ishii, J. Phys. Chem. 90, 139 (1986).
31. D. Mackay, Multimedia Environmental Models: The Fugacity Approach (Lewis, Michigan, 1991).