Stochastic simulation of catalytic surface reactions in the fast diffusion limit

Journal of Chemical Physics

Volumn 125, Issue 19, 2006, Pages

  Mastny, Ethan A ^a   Haseltine, Eric L ^b   Rawlings, James B ^a  

^a University of Wisconsin Madison   (United States)

^b California Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GAS-PHASE CONCENTRATIONS; KINETIC PARAMETERS; LATERAL INTERACTIONS;

CATALYSIS; DIFFERENTIAL EQUATIONS; MONTE CARLO METHODS; PARAMETER ESTIMATION; PROBLEM SOLVING; SURFACE REACTIONS;

DIFFUSION;

EID: 33845337307     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2390696     Document Type: Article

References (32)

1. I. Langmuir, J. Am. Chem. Soc. 40, 1361 (1918).
2. C. N. Hinshelwood, The Kinetics of Chemical Change (Claredon, Oxford, 1940).
3. O. A. Hougen and K. M. Watson, Chemical Process Principles: Kinetics and Catalysis (Wiley, New York, 1947), Pt..
4. J. J. Carberry, in Chemical Reactor Theory: A Review, edited by, L. Lapidus, and, N. R. Amundson, (Prentice-Hall, Englewood Cliffs, NJ, 1977).
5. H. C. Kang and W. H. Weinberg, Chem. Rev. (Washington, D.C.) 95, 667 (1995).
6. S. Sundaresan and K. R. Kaza, Chem. Eng. Commun. 35, 1 (1985).
7. A. P. J. Jansen, Phys. Rev. B 69, 035414 (2004).
8. Y. Surchorski, J. Beben, E. W. James, J. W. Evans, and R. Imbihl, Phys. Rev. Lett. 82, 1907 (1999).
9. E. Kurkina and N. Semendyaeva, Surf. Sci. 558, 122 (2004).
10. Y. Gong, Z. Hou, and H. Xin, J. Phys. Chem. B 108, 17796 (2004).
11. A. P. J. Jansen and J. J. Lukkien, Catal. Today 53, 259 (1999).
12. R. Gomer, Rep. Prog. Phys. 53, 917 (1990).
13. M. Mavrikakis (private communication).
14. S. Raimondeau and D. G. Vlachos, Chem. Eng. J. 90, 3 (2002).
15. D.-J. Liu and J. W. Evans, J. Chem. Phys. 124, 154705 (2006).
16. S. Völkening and J. Wintterlin, J. Chem. Phys. 114, 6382 (2001).
17. V. P. Zhdanov, Surf. Sci. 102, L35 (1981).
18. S. Sundaresan and K. R. Kaza, Chem. Eng. Commun. 32, 333 (1985).
19. A. G. Makeev, D. Maroudas, A. Z. Panagiotopoulos, and I. G. Kevrekidis, J. Chem. Phys. 117, 8229 (2002).
20. M. A. Snyder, A. Chatterjee, and D. G. Vlachos, Comput. Chem. Eng. 29, 701 (2005).
21. D. T. Gillespie, J. Comput. Phys. 22, 403 (1976).
22. Y. Cao, D. T. Gillespie, and L. R. Petzold, J. Chem. Phys. 122, 014116 (2005).
23. C. V. Rao and A. P. Arkin, J. Chem. Phys. 118, 4999 (2003).
24. E. L. Haseltine and J. B. Rawlings, J. Chem. Phys. 123, 164115 (2005).
25. S. V. Nedea, A. P. Jansen, J. J. Lukkien, and P. A. J. Hilbers, Phys. Rev. E 67, 046707 (2003).
26. A. Chatterjee and D. G. Vlachos, J. Chem. Phys. 124, 064110 (2006).
27. M. A. Burschka, J. Stat. Phys. 45, 715 (1986).
28. E. A. Mastny, E. L. Haseltine, and J. B. Rawlings, TWMCC, Technical Report No. 2006-02, 2006 (unpublished) (available at http://www.che.utexas.edu/ twmcc/).
29. T. Hill, Thermodynamics of Small Systems Part I (Benjamin, New York, 1963).
30. D. A. McQuarrie, Statistical Mechanics (Harper Collins, New York, 1973).
31. B. Munsky and M. Khammash, J. Chem. Phys. 124, 044104 (2006).
32. S. B. Pope, Combust. Theory Modell. 1, 41 (1997).