New method to analyze simulations of activated processes

Journal of Chemical Physics

Volumn 126, Issue 13, 2007, Pages

  Wedekind, Jan ^a   Strey, Reinhard ^a   Reguera, David ^b  

^a UNIVERSITY OF COLOGNE   (Germany)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BROWNIAN MOVEMENT; COMPUTER SIMULATION; INERT GASES; MOLECULAR DYNAMICS; NUCLEATION; THERMODYNAMICS;

ACTIVATED PROCESSES; BROWNIAN DYNAMICS SIMULATIONS; STEADY STATE TRANSITION RATE; THERMODYNAMICAL CONSIDERATIONS;

CHEMICAL ACTIVATION;

ARGON;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; KINETICS; METHODOLOGY; NORMAL DISTRIBUTION; PHYSICAL CHEMISTRY; STATISTICAL MODEL; THEORETICAL MODEL; THERMODYNAMICS;

ARGON; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; MODELS, STATISTICAL; MODELS, THEORETICAL; NORMAL DISTRIBUTION; THERMODYNAMICS;

EID: 34047273559     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2713401     Document Type: Article

References (26)

1. D. Reguera, J. M. Rubí, and J. M. G. Vilar, J. Phys. Chem. B 109, 21502 (2005).
2. P. Hänggi, P. Talkner, and M. Borkovec, Rev. Mod. Phys. 62, 251 (1990).
3. R. Zwanzig, Nonequilibrium Statistical Mechanics (Oxford University Press, Oxford, 2001).
4. J. Frenkel, Kinetic Theory of Liquids (Clarendon, Oxford, 1946), Chap..
5. K. F. Kelton, Solid State Phys. 45, 75 (1991).
6. J. H. ter Horst and D. Kashchiev, J. Chem. Phys. 119, 2241 (2003).
7. J. H. ter Horst and P. J. Jansens, Surf. Sci. 574, 77 (2005).
8. J. H. ter Horst and D. Kashchiev, J. Chem. Phys. 123, 114507 (2005).
9. L. S. Bartell and D. T. Wu, J. Chem. Phys. 125, 194503 (2006).
10. J. Wedekind, D. Reguera, and R. Strey, Poster at the Spring Meeting of the German Physical Society (DPG), Condensed Matter Division, Dresden, Germany, March 2006 (unpublished) (http://www.dpg-tagungen.de/archive/2006/dresden/ index_en.html).
11. D. Reguera and J. Wedekind; J. Wedekind, D. Reguera, and R. Strey, Talks Nos. 375 and 376 at the 80th ACS Surface and Science Symposium, Boulder, Colorado, June 2006 (unpublished) (www.colloid.org), where the first author of Ref. 9 was present and attended both talks.
12. J. Wedekind, Ph.D. thesis, University of Cologne, 2006.
13. J. Wedekind, D. Reguera, and R. Strey, J. Chem. Phys. 125, 214505 (2006).
14. R. McGraw, J. Phys. Chem. B 105, 11838 (2001).
15. P. G. Debenedetti, Metastable Liquids (Princeton University Press, Princeton, NJ, 1997).
16. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1989).
17. P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, J. Chem. Phys. 0021-9606 10.1063/1.471721 104, 9932 (1996); P. R. ten Wolde, J. Chem. Phys. 0021-9606 10.1063/1.477799 110, 1591 (1999); S. Auer and D. Frenkel, Nature (London) 413, 711 (2001).
18. P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, J. Chem. Phys. 0021-9606 10.1063/1.471721 104, 9932 (1996); P. R. ten Wolde, J. Chem. Phys. 0021-9606 10.1063/1.477799 110, 1591 (1999); S. Auer and D. Frenkel, Nature (London) 413, 711 (2001).
19. P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, J. Chem. Phys. 0021-9606 10.1063/1.471721 104, 9932 (1996); P. R. ten Wolde, J. Chem. Phys. 0021-9606 10.1063/1.477799 110, 1591 (1999); S. Auer and D. Frenkel, Nature (London) 413, 711 (2001).
20. C. Dellago, P. Bolhuis, F. S. Csajka, and D. Chandler, J. Chem. Phys. 108, 1964 (1998).
21. K. Yasuoka and M. Matsumoto, J. Chem. Phys. 109, 8451 (1998).
22. L. S. Bartell and G. Turner, J. Phys. Chem. B 108, 19742 (2004).
23. J. Wedekind, D. Reguera, and R. Strey (unpublished).
24. I. Saika-Voivod, P. H. Poole, and R. K. Bowles, J. Chem. Phys. 124, 224709 (2006).
25. S. R. McGuffee and A. H. Elcock, J. Am. Chem. Soc. 128, 12098 (2006).
26. Y. G. Chushak and L. S. Bartell, J. Phys. Chem. B 105, 11605 (2001).