Simulation study of the role and structure of monatomic ions multiple hydration shells

Journal of Chemical Physics

Volumn 106, Issue 2, 1997, Pages 655-665

  Degrève, Léo ^a   De Pauli, Vânia Maria ^a   Duarte, Marcio Antonio ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0038344970     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473403     Document Type: Article

References (47)

1. J. O'M. Bockris and A. K. N. Reddy, Modern Electrochemistry (Plenum, New York, 1970).
2. A. Ben-Naim, Ionic Solutions (Plenum, New York, 1980).
3. Y. Marcus, Ion Salvation (Wiley, New York, 1985).
4. Solvation Faraday Discuss. Chem. Soc. 85 (1988).
5. H. Ohtaki and T. Radnai, Chem. Rev. 93. 1157 (1993).
6. J. E. Enderby, Annu. Rev. Phys. Chem. 34, 155 (1983).
7. L. Degrève and C. Quintale, Jr., Electrochim. Acta 38, 1405 (1993).
8. L. Degrève and C. Quintale, Jr., Chem. Phys. Lett. 208, 530 (1993).
9. Comprehensive Treatise on Electrochemistry, edited by J. O'M. Bockris and B. E. Conway (Plenum, New York, 1980), Vol. 5.
10. L. Degrève and C. Quintale, Jr., J. Chem. Phys. 101, 2315 (1994).
11. G. J. Herdman and G. W. Neilson, J. Phys. Condens. Matter 4, 627 (1992).
12. G. J. Herdman and G. W. Neilson, J. Phys. Condens. Matter 4, 649 (1992).
13. M. Mezei and D. L. Beveridge, J. Chem. Phys. 74, 6902 (1981).
14. J. Chandrasekhar, D. C. Spellmeyer, and W. L. Jorgensen, J. Am. Chem. Soc. 106, 903 (1984).
15. M. Mezei and D. L. Beveridge, J. Chem. Phys. 74, 622 (1981).
16. L. Blum and L. Degrève, Mol. Phys. 88, 585 (1996).
17. L. Degrève and L. Blum, Physica A 224, 550 (1996).
18. R. W. Impey, P. A. Madden, and I. R. McDonald, J. Phys. Chem. 87, 5071 (1983).
19. C. Quintale. Jr. and L. Degrève, J. Molec. Struct. (Theochem) 335, 197 (1995).
20. Degrève and C. Quintale, Jr., J. Electroanal. Chem. 409, 25 (1996).
21. J. E. Huheey, E. A. Keiter, and R. L. Keiter. Inorganic Chemistry (Harper-Collins, New York, 1993).
22. A. L. Horvath, Handbook of Aqueous Electrolyte Solutions (Ellis Horwood, Ltd., Chichester, 1985).
23. K. Heinzinger and P. C. Vogel, Z. Naturforsch. A 31, 463 (1976).
24. K. Heinzinger, Z. Naturforsch. A 31, 1073 (1976).
25. P. C. Vogel and K. Heinzinger, Z. Naturforsch. A 30, 789 (1975).
26. P. C. Vogel and K. Heinzinger, Z. Naturforsch. A 31, 476 (1976).
27. E. Guàrdia, R. Rev. and J. A. Padró, J. Chem. Phys. 95, 2823 (1991).
28. E. Guàrdia and J. A. Padró, Chem. Phys. 144, 353 (1990).
29. N. Metropolis, A. W. Rosenbluth, M. N. Rosenhluth, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953).
30. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
31. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, London, 1986).
32. W. W. Wood, in Physics of Simple Fluids, edited by H. N. V. Temperley, J. S. Rowlinson, and G. S. Rushbrooke (North-Holland, Amsterdam, 1968), p. 115.
33. B. J. Alder and T. E. Wainwright, J. Chem. Phys. 31, 459 (1959).
34. W. W. Wood and F. R. Parker, J. Chem. Phys. 27, 720 (1957).
35. B. J. Alder and T. E. Wainwright. J. Chem. Phys. 27, 1208 (1957).
36. A. Rahman, Phys. Rev. 136A, 405 (1964).
37. G. Cicotti, D. Frenel, and I. R. McDonald, Simulation of Liquids and Solids, Molecular Dynamics and Monte Carlo Methods in Statistical Mechanics (North-Holland, Amsterdam, 1990).
38. L. Perera and M. L. Berkowitz, J. Chem. Phys. 95, 1954 (1991).
39. M. Migliore, S. L. Fornili, E. Sphor, G. Pálinkás, and K. Heinzinger, Z. Naturforsch. A 41, 826 (1986).
40. L. A. Curtiss, J. W. Halley, J. Hautman, and A. Rahman, J. Chem. Phys. 86, 2319 (1987).
41. W. L. Jorgensen, J. Chandrasekhar. J. D. Madura, W. R. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
42. G. I. Szasz, K. Heinzinger, and W. O. Riede, Z. Naturforsch. A 36, 1607 (1981).
43. G. Pálinkás, W. O. Riede, and K. Heinzinger. Z. Naturforsch. A 32, 1137 (1977).
44. L. Degrève. M. Lozada-Cassou. E. Sánchez, and E. González-Tovar, J. Chem. Phys. 98, 8905 (1993).
45. E. Gonzalez-Tovar, M. Lozada-Cassou, L. Mier-y-Teran, M. Medina, and L. Degrève, in Lectures in Thermodynamics and Statistical Mechanics, edited by M. Lopez de Haro and C. Varea (World Scientific, New Jersey, 1994).
46. L. Degrève and D. J. Henderson, J. Chem. Phys. 100, 1606 (1994).
47. L. Degrève and M. Lozada-Cassou, Mol. Phys. 86, 759 (1995).