Abstract
This article concerns the density and orientational structure of water near uncharged (hydrophobic) and charged (hydrophilic) surfaces and the surface-induced phase transition accompanying a powerful, attractive surface force. Previously reported studies on the water structure using the integral equation theories and computer simulations are critically reviewed, and some controversial aspects are reexamined by additional calculations. Effects of the surface curvature and surface charge density on the structure are analyzed in detail. A new analysis is performed on the phase transition for water containing a trace amount of a hydrophobic component at surfaces. It is shown that the transition occurs even at charged surfaces and the attraction induced between surfaces predominates over the strong Coulombic repulsion at sufficiently small separations. At highly charged surfaces, however, the transition does not occur.
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REFERENCES
C. Y. Lee, J. A. McCammon, and P. J. Rossky, J. Chem. Phys. 80, 4448 (1984).
J. P. Valleau and A. A. Gardner, J. Chem. Phys. 86, 4162 (1987).
J. C. Shelley and G. N. Patey, Mol. Phys. 88, 385 (1996).
G. M. Torrie, P. G. Kusalik, and G. N. Patey, J. Chem. Phys. 88, 7826 (1988).
P. Attard, D. Wei, G. N. Patey, and G. M. Torrie, J. Chem. Phys. 93, 7360 (1990).
G. M. Torrie and G. N. Patey, J. Phys. Chem. 97, 12909 (1993).
M. Kinoshita and M. Harada, Mol. Phys. 81, 1473 (1994).
M. Kinoshita and F. Hirata, J. Chem. Phys. 104, 8807 (1996).
J. C. Shelley, G. N. Patey, D. R. Bérard, and G. M. Torrie, J. Chem. Phys. 107, 2122 (1997).
M. Kinoshita, S. Iba, K. Kuwamoto, and M. Harada, J. Chem. Phys. 105, 7184 (1996).
M. Kinoshita, Mol. Phys. 94, 485 (1998).
M. Kinoshita, Mol. Phys. 96, 71 (1999).
M. Kinoshita, Chem. Phys. Lett. 325, 281 (2000).
M. Kinoshita, Chem. Phys. Lett. 326, 551 (2000).
M. Kinoshita, Chem. Phys. Lett. 333, 217 (2001).
H. Greberg and G. N. Patey, J. Chem. Phys. 114, 7182 (2001).
S. D. Overduin and G. N. Patey, J. Chem. Phys. 117, 3391 (2002).
P. G. Kusalik and G. N. Patey, J. Chem. Phys. 88, 7715 (1988).
P. G. Kusalik and G. N. Patey, Mol. Phys. 65, 1105 (1988).
P. H. Fries and G. N. Patey, J. Chem. Phys. 82, 429 (1985).
M. Kinoshita and M. Harada, Mol. Phys. 74, 443 (1991).
D. R. Bérard and G. N. Patey, J. Chem. Phys. 95, 5281 (1991).
M. Kinoshita and M. Harada, Mol. Phys. 79, 145 (1993).
M. Kinoshita and D. R. Bérard, J. Comput. Phys. 124, 230 (1996).
M. Kinoshita, S. Iba, and M. Harada, J. Chem. Phys. 105, 2487 (1996).
A. Malijevský and S. Labík, Mol. Phys. 60, 663 (1987).
D. Henderson and M. Plischke, Proc. R. Soc. Lond. Ser. A 400, 163 (1985).
P. Attard and G. N. Patey, J. Chem. Phys. 92, 4970 (1990).
L. L. Lee and D. Levesque, Mol. Phys. 26, 1351 (1973).
A. Geiger, A. Rahman, and F. H. Stillinger, J. Chem. Phys. 70, 263 (1979).
J. Israelachvili, Intermolecular & Surface Forces (Academic Press, London, 1991), p. 130, Fig. 8.4.
Y. Rosenfeld and N. W. Ashcroft, Phys. Rev. A 20, 1208 (1979).
F. Lado, E. Lomba, and M. Lombardero, J. Chem. Phys. 103, 481 (1995).
M. Alvarez, F. Lado, E. Lomba, M. Lombardero, and C. Martín, J. Chem. Phys. 107, 4642 (1997).
L. Verlet, Mol. Phys. 41, 183 (1980).
S. Labík, A. Malijevský, and W. R. Smith, Mol. Phys. 73, 495 (1991).
R. Pospísil, A. Malijevský, S. Labík, and W. R. Smith, Mol. Phys. 74, 253 (1991).
S. Labík, A. Malijevský, R. Pospísil, and W. R. Smith, Mol. Phys. 74, 261 (1991).
E. Lomba, C. Martín, M. Lombardero, and J. A. Anta, J. Chem. Phys. 96, 6132 (1992).
D.-M. Duh and D. Henderson, J. Chem. Phys. 104, 6742 (1996).
M. Kinoshita, J. Chem. Phys. 118, 8969 (2003).
F. Otto and G. N. Patey, J. Chem. Phys. 112, 8939 (2000).
F. Otto and G. N. Patey, J. Chem. Phys. 113, 2851 (2000).
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Kinoshita, M. Water Structure and Phase Transition Near a Surface. Journal of Solution Chemistry 33, 661–687 (2004). https://doi.org/10.1023/B:JOSL.0000043632.91521.59
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DOI: https://doi.org/10.1023/B:JOSL.0000043632.91521.59