A mechanism for ion transport across the water/dichloromethane interface: a molecular dynamics study using polarizable potential models

Journal of Physical Chemistry B

Volumn 105, Issue 4, 2001, Pages 804-809

  Dang, Liem X ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; HYDRATION; ION IMPLANTATION; PHASE TRANSITIONS;

ION TRANSPORT; LIQUID-LIQUID INTERFACES;

MOLECULAR DYNAMICS;

EID: 0034819150     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003991b     Document Type: Article

References (31)

1. Berkowitz, M.; Karim, O. A.; McCammon J. A.; Rossky P. J. Chem. Phys. Lett. 1984, 105, 577.
2. Smith, D. E.; Dang, L. X. J. Chem. Phys. 1994, 101, 7873.
3. Dang, L. X. J. Am. Chem. Soc. 1995, 117, 6954.
4. Young W. S.; Brooks, C. L. J. Chem. Phys. 1994, 106, 7873.
5. Jorgensen, W. L.; Severance D. L. J. Am. Chem. Soc. 1990, 112, 4768.
6. Haag, W. R.; Yao, C. C. D. Environ. Sci. Teclmol. 1992, 26, 1005.
7. U.S. Department of Energy, Office of Environmental Management, FY 1995 Technology Development Needs Summary, 1994, p 2-17.
8. Benjamin, I. Science 1993, 267, 1558.
9. Schweighfer, K.; Benjamin, I. J. Phys. Chem. A 1999, 103, 10274.
10. Lauterbach, M.; Engler, E.; Muzet, N.; Troxler, L.; Wipff, G. J. Phys. Chem. B 1998, 102, 245.
11. Femandes, P. A.; Natalia, M. Cordeiro, D. S.; Gomes, J. A. N. F. J. Phys. Chem. B 1999, 102, 245;
12. Fernandes, P. A.; Natalia, M. Cordeiro, D. S.; Gomes, J. A. N. F. J. Phys. Chem. B 2000, 104, 2390.
13. Dang, L. X. J. Phys. Chem. B 1999, 103, 8195.
14. Dang, L. X.; Chang, T.-M. J. Chem. Phys. 1997, 106, 8149.
15. Murphy, W.-J. Chem. Phys. 1977, 67, 5877.
16. Dang, L. X. J. Chem. Phys. 1999, 110, 10113.
17. Applequist, J.; Carl, J. R.; Fung, K.-K. J. Am. Chem. Soc. 1972, 94, 2952.
18. Hansen, J. P.; McDonald, I. R. Theory of Simple Liquids; Academic Press: London, 1986.
19. Chang, T.-M.; Dang, L. X. J. Chem. Phys. 1996, 104. 6772.
20. Xantheas, S. J. Phys. Chem. 1995, 100, 9703.
21. Rieh, S. W.; Stuart, S. J.; Berne, B. J. J. Chem. Phys. 1994, 101, 6141.
22. Stuart, S. J.; Berne, B. J. J. Phys. Chem. 1999, 103, 10300.
23. Stuart, S. J.; Berne, B. J. J. Phys. Chem. 1996, 100, 11934.
24. Stuart, S. J.; Berne, B. J. J. Am. Chem. Soc. 1996, 118, 672.
25. Berendsen, H. J. C.; Postma, J. P.; Di Nola, A.; Van Gunsteren, W. F.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684.
26. Rykaert, J. R.; Ciccotti, G.; Berendsen, H. J. C. J. Compta. Phys. 1977, 23, 327.
27. Feller, S. E.; Pastor, W. R. Rojnuckarin, A.; Boguszerara, S.; Brooks, B. J. Phys. Chem. 1996, 100, 17011.
28. Smith, D. E.; Dang, L. X. J. Chem. Phys. 1994, 100, 3757.
29. Marcus, Y. Pure Appl. Chem. 1983, 55, 977.
30. Chang, T.-M.; Dang, L. X. J. Chem. Phys. 1998, 108, 2.
31. Osakai, T.; Ogata, A.; Ebina, K. J. Phys. Chem. B 1997, 101, 8341.