The passage of small molecules through a water film supported by MgO(100): Transfer times from molecular dynamics simulations

Journal of Chemical Physics

Volumn 113, Issue 3, 2000, Pages 1184-1193

  Toubin, C ^a   Hoang, P N M ^a   Picaud, S ^a   Girardet, C ^a  

^a UNIVERSITÉ DE FRANCHE COMTÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; COMPUTER SIMULATION; FREE ENERGY; HYDROCHLORIC ACID; HYDROGEN BONDS; INTERFACES (MATERIALS); MAGNESIA; MOLECULAR DYNAMICS; SUBSTRATES; SURFACES; THIN FILMS; WATER;

IONIC SUBSTRATE; MOLECULAR DYNAMIC SIMULATIONS; SMALL POLLUTANT MOLECULES; THIN WATER FILM;

MOLECULES;

EID: 0034226366     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481897     Document Type: Article

References (37)

1. A. Thiel and T. E. Madey, Surf. Sci. Rep. 7, 211 (1987).
2. G. A. Somorjai, Introduction to Surface Chemistry and Catalysis (Wiley, New York, 1994).
3. D. Ferry et al., J. Chem. Phys. 105, 1697 (1996);
4. Surf. Sci. 377/379, 634 (1997).
5. J. Heidberg, B. Redlich, and D. Wetter, Ber. Bunsenges. Phys. Chem. 99, 1333 (1995).
6. A. Glebov, A. P. Graham, A. Menzel, and J. P. Toennies, J. Chem. Phys. 106, 9382 (1997).
7. C. Girardet, P. N. M. Hoang, A. Marmier, and S. Picaud, Phys. Rev. B 57, 11031 (1998).
8. H. Witek and V. Buch, J. Chem. Phys. 110, 3168 (1999).
9. X. Su, L. Lianos, Y. R. Shen, and G. A. Somorjai, Phys. Rev. Lett. 80, 1533 (1998).
10. M. J. Iedema et al., J. Phys. Chem. B 102, 9203 (1998).
11. M. I. McCarthy, G. K. Schenter, C. A. Scamehorn, and J. B. Nicholas, J. Chem. Phys. 100, 16998 (1996).
12. A. Marmier et al., J. Chem. Phys. 109, 3245 (1998).
13. N. Materer, et al. J. Phys. Chem. 99, 6267 (1995).
14. D. R. Haynes, N. J. Tro, and S. M. George, J. Phys. Chem. 96, 8502 (1992).
15. J. G. Dash, Contemp. Phys. 30, 89 (1989).
16. G. J. Kroes, Surf. Sci. 275, 365 (1992).
17. R. M. Noyes, M. B. Rubin, and P. G. Bowers, J. Phys. Chem. 96, 1000 (1992);
18. R. M. Noyes, M. B. Rubin, and P. G. Bowers, J. Phys. Chem. 100, 4167 (1995).
19. G. M. Nathanson, P. Dayidovits, D. R. Worsnop, and C. E. Kolb, J. Phys. Chem. 100, 13007 (1996).
20. K. Laasonen and M. L. Klein, J. Am. Chem. Soc. 116, 11620 (1994);
21. J. Phys. Chem. A 101, 98 (1997).
22. J. H. Seinfeld and S. N. Pandis, Atmospheric Chemistry and Physics (Wiley, New York, 1998).
23. R. Zellner, Global Aspects of Atmospheric Chemistry (Springer, New York, 1999).
24. A. Marmier, P. N. M. Hoang, C. Girardet, and R. M. Lynden-Bell, J. Chem. Phys. 111, 4862 (1999).
25. C. Toubin et al., Surf. Rev. Lett. 6, 1265 (1999).
26. C. Toubin, S. Picaud, and C. Girardet, Chem. Phys. 244, 227 (1999).
27. G. J. Kroes and D. C. Clary, J. Phys. Chem. 96, 7079 (1992).
28. T. Somasundaram, R. M. Lynden-Bell, and C. H. Patterson, Phys. Chem. Chem. Phys. 1, 143 (1999).
29. W. L. Jorgensen et al., J. Chem. Phys. 79, 926 (1983).
30. J. C. Soetens, C. Millot, P. N. M. Hoang, and C. Girardet, Surf. Sci. 419, 48 (1998).
31. R. S. Taylor, L. X. Dang, and B. C. Garrett, J. Phys. Chem. 100, 11720 (1996).
32. T. Somasundaram, M. in het Panhuis, R. M. Lynden-Bell, and C. H. Patterson, J. Chem. Phys. 111, 2190 (1999).
33. G. M. Gale et al., Phys. Rev. Lett. 82, 1068 (1999).
34. R. Vuilleumier and D. Borgis, J. Chem. Phys. 111, 4251 (1999).
35. A. Allouche, I. Couturier-Tamburelli, and T. Chiavassa, J. Phys. Chem. B 104, 1497 (2000).
36. K. Bolton and J. B. C. Petterson, Chem. Phys. Lett. 312, 71 (1999).
37. B. I. Gertner and J. T. Hynes, Faraday Discuss. 110, 301 (1998).