Transition from patchlike to clusterlike inhomogeneity arising from hydrogen bonding in water

Journal of Chemical Physics

Volumn 134, Issue 5, 2011, Pages

  Swiatla Wojcik, Dorota ^a   Szala Bilnik, Joanna ^a  

^a LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BONDED MOLECULE; DEGREE OF CONNECTIVITY; DENSITY OF WATER; DIELECTRIC CONSTANTS; EXPLICIT EXPRESSIONS; GEL-LIKE NETWORKS; H-BONDED; H-BONDS; HYDROGEN BONDINGS; INHOMOGENEITIES; LINEAR CORRELATION; LINEAR DECREASE; MACROSCOPIC PROPERTIES; MACROSCOPIC QUANTITIES; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL MODEL; RANDOM BONDS; SELF-DIFFUSION COEFFICIENTS; STRUCTURAL INHOMOGENEITIES; SUPERCRITICAL CONDITION; THERMODYNAMIC STATE; WATER MOLECULE;

COMPUTER SIMULATION; GELS; HYDROGEN; MOLECULAR DYNAMICS; MOLECULES; THERMODYNAMIC PROPERTIES;

HYDROGEN BONDS;

WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS;

HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; WATER;

EID: 79951544178     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3552950     Document Type: Article

References (35)

1. Supercritical Fluids. Fundamentals and Applications, NATO Science Series E: Applied Science, edited by, E. Kiran, P. G. Debenedetti, and, C. J. Peters, (Kluwer Academic Publishers, Dordrecht, Boston, London, 2000), Vol. 366.
2. P. E. Savage, J. Supercrit. Fluids 47, 407 (2009). 10.1016/j.supflu.2008. 09.007
3. N. Akiya and P. E. Savage, Chem. Rev. 102, 2725 (2002). 10.1021/cr000668w (Pubitemid 35381647)
4. D. Swiatla-Wojcik, A. Pabis, and J. Szala, Cent. Eur. J. Chem. 6, 555 (2008). 10.2478/s11532-008-0059-7
5. H. E. Stanley, S. V. Buldyrev, M. Canpolat, M. Meyer, O. Mishima, M. R. Sadr-Lahijany, A. Scala, and F. W. Starr, Physica A 257, 213 (1998). 10.1016/S0378-4371(98)00264-7
6. Yu. E. Gorbaty and A. G. Kalinichev, J. Phys. Chem. 99, 5336 (1995). 10.1021/j100015a016
7. A. G. Kalinichev and J. D. Bass, J. Phys. Chem. A 101, 9720 (1997). 10.1021/jp971218j
8. R. D. Mountain, J. Chem. Phys. 110, 2109 (1999). 10.1063/1.477853
9. T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Phys. Chem. 100, 403 (1996). 10.1021/jp951561t
10. M. Nakahara, N. Matubayasi, C. Wakai, and Y. Tsujino, J. Mol. Liq. 90, 75 (2001). 10.1016/S0167-7322(01)00109-X (Pubitemid 32419075)
11. M. C. Bellissent-Funel, J. Mol. Liq. 90, 313 (2001). 10.1016/S0167- 7322(01)00135-0 (Pubitemid 32425085)
12. T. Head-Gordon and G. Hura, Chem. Rev. 102, 2651 (2002). 10.1021/cr0006831 (Pubitemid 35377628)
13. A. G. Kalinichev and S. V. Churakov, Chem. Phys. Lett. 302, 411 (1999). 10.1016/S0009-2614(99)00174-8
14. C. Huang, K. T. Wikfeldt, T. Tokushima, D. Nordlund, Y. Harada, U. Bergmann, M. Niebuhr, T. M. Weiss, Y. Horikawa, M. Leetmaa, M. P. Ljungberg, O. Takahashi, A. Lenz, L. Ojamae, A. P. Lyubartsev, S. Shin, L. G. M. Pettersson, and A. Nilsson, Proc. Natl. Acad. Sci. U. S. A. 106, 15214 (2009). 10.1073/pnas.0904743106
15. P. H. Poole, F. Sciortino, U. Essmann, and H. E. Stanley, Nature 360, 324 (1992). 10.1038/360324a0
16. P. Bopp, G. Jancso, and K. Heinzinger, Chem. Phys. Lett. 98, 129 (1983). 10.1016/0009-2614(83)87112-7
17. T. I. Mizan, P. E. Savage, and R. M. Ziff, J. Comput. Chem. 17, 1757 (1996). 10.1002/(SICI)1096-987X(19961130)17:151757::AID-JCC63.0.CO;2-O
18. D. Swiatla-Wojcik, Chem. Phys. 342, 260 (2007). 10.1016/j.chemphys.2007. 10.009
19. A. A. Chialvo and P. T. J. Cummings, J. Chem. Phys. 105, 8274 (1999). 10.1063/1.472718
20. R. L. Blumberg, H. E. Stanley, A. Geiger, and P. Mausbach, J. Chem. Phys. 80, 5230 (1984). 10.1063/1.446593
21. E. Gurdia and J. Marti, Phys. Rev. E 69, 115021 (2004). 10.1103/PhysRevE.69.011502
22. O. Teleman, B. Jnsson, and S. Engstrm, Molecular Physics 60, 193 (1987). 10.1080/00268978700100141
23. J. Marti, J. Chem. Phys. 110, 6876 (1999). 10.1063/1.478593
24. F. H. Stillinger and A. Rahman, J. Chem. Phys. 68, 666 (1978). 10.1063/1.435738
25. G. D. Carney, L. A. Curtis, and S. R. Langhoff, J. Mol. Spectroscopy, 61, 3017 (1976). 10.1016/0022-2852(76)90328-3
26. A. C. Shepard, Y. Beers, G. P. Klein, and L. S. Rothman, J. Chem. Phys. 59, 2254 (1973). 10.1063/1.1680328
27. B. Guillot and Y. Guissani, J. Chem. Phys. 108, 10162 (1998). 10.1063/1.476475
28. M. P. Allen, and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
29. Ph. Wernet, D. Testemale, J.-L. Hazemann, R. Argoud, P. Glatzel, L. G. M. Pettersson, A. Nilsson, and U. Bergmann, J. Chem. Phys. 123, 154503 (2005). 10.1063/1.2064867 (Pubitemid 41716931)
30. P. H.-L. Sit, C. Bellin, B. Barbiellini, D. Testemale, J.-L. Hazemann, T. Buslaps, N. Marzari, A. Shukla, Phys. Rev. B 76, 245413 (2007). 10.1103/PhysRevB.76.245413
31. N. Matubayasi, C. Wakai, and M. Nakahara, J. Chem. Phys. 107, 9133 (1997). 10.1063/1.475205
32. A. Geiger and H. E. Stanley, Phys. Rev. Lett. 49, 1895 (1982). 10.1103/PhysRevLett.49.1895
33. K. Krynicki, C. D. Green, and D. W. Sawyer, Faraday Discuss. Chem. Soc. 66, 199 (1979). 10.1039/dc9786600199
34. W. J. Lamb, G. A. Hoffman, and J. Jonas, J. Chem. Phys. 74, 6875 (1981). 10.1063/1.441097
35. N. Yoshii, H. Yoshie, S. Miura, and S. Okazaki, J. Chem. Phys. 109, 4873 (1998). 10.1063/1.477098 (Pubitemid 128672137)