Dynamic Monte Carlo simulations of catalytic surface reactions

Proceedings of the Combustion Institute

Volumn 28, Issue 1, 2000, Pages 1323-1330

  Kissel Osterrieder, R ^a   Behrendt, F ^a   Warnatz, J ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; CATALYSTS; DISSOCIATION; INTELLIGENT SYSTEMS; MONTE CARLO METHODS; NANOPARTICLES; PLATINUM; STOCHASTIC MODELS; STOCHASTIC SYSTEMS; SURFACE STRUCTURE;

ADSORBATE-ADSORBATE INTERACTION; DISSOCIATIVE ADSORPTION; DYNAMIC MONTE CARLO SIMULATIONS; KINETIC PHASE TRANSITIONS; LANGMUIR-HINSHELWOOD; SPATIOTEMPORAL PATTERNS; SUPPORTED NANOPARTICLES; SURFACE REACTION MECHANISM;

SURFACE REACTIONS;

EID: 84912123064     PISSN: 15407489     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0082-0784(00)80346-X     Document Type: Article

References (28)

1. Berdau, M., Yelenin, G. G., Karpowicz, A., Ehsasi, M., Christmann, K., and Block, H., J. Chem. Phys. 110(23):11551-11573 (1999).
2. Ertl, G., Knözinger, H., and Weitkamp, J., Handbook of Heterogeneous Catalysis, Wiley-VCH, Weinheim, Germany, 1997, p. 191.
3. Imbihl, R., and Ertl, G., Chem. Rev. 95:697-733 (1995).
4. Kissel-Osterrieder, R., Behrendt, F., and Warnatz, J., Proc. Combust. Inst. 27:2267-2274 (1998).
5. van Kampen, N. G., Stochastic Processes in Physics and Chemistry, North-Holland Physics Publishing, Amsterdam, 1984, p. 102.
6. Honerkamp, J., in Stochastic Dynamical Systems: Concepts, Numerical Methods, Data Analysis, VCH, New York, 1994, pp. 73-114.
7. Meng, B., and Weinberg, W. H., Surf. Sci. 374:443-453 (1997).
8. Binder, K., and Heermann, D. W. (eds.), Monte Carlo Methods in Statistical Physics, Springer, Berlin, 1988.
9. Lukkien, J. J., Segers, J. P. L., Hilbers, P. A. J., Gelten, R. J., and Jansen, A. P. J., Phys. Rev. E 58(2):2598-2610 (1998).
10. Engel, T., and Ertl, G., Adv. Catal. 28:1 (1979).
11. Thiel, P. A., Behm, R. J., Norton, P. R., and Ertl, G., Surf. Sci. Lett. 121:L553-L560 (1982).
12. Hopkinson, A., Bradley, J. M., Guo, X. C., and King, D. A., Phys. Rev. Lett. 71:1597-1600 (1993).
13. Gelten, R. J., Jansen, A. P. J., van Santen, R. A., Lukkien, J. J., Segers, and Hilbers, P. A. J., J. Chem. Phys. 108(14):5921-5934 (1998).
14. Jakubith, S., Rotermund, H. H., Engel, W., von Oertzen, A., and Ertl, G., Phys. Rev. Lett. 65:3013-3016 (1990).
15. Rotermund, H. H., Surf. Sci. 386:10-23 (1997).
16. Rose, K. C., Battogtokh, D., Mikhailov, A., Imbihl, R., Engel, W., and Bradshaw, A. M., Phys. Rev. Lett. 76:3582-3585 (1996).
17. Landau, L. D., and Lifshitz, E. M., Statistical Physics, 3rd ed., Part 1, Pergamon Press, New York, 1994, p. 520.
18. Zhdanov, V. P., and Kasemo, B., J. Calalysis 170:377-389 (1997).
19. Zhdanov, V. P., and Kasemo, B., Surf. Sci. 405:27-37 (1998).
20. Winkler, A., Guo, X., Siddiqui, H. R., Hagans, P. L., and Yates Jr. J. T., Surf. Sci. 201:419-443 (1988).
21. Parker, D. H., Bartram, M. E., and Koel, B. E., Surf. Sci. 217:489-510 (1989).
22. Brown, W. A., Kose, R., and King, D. A., Chem. Rev. 98(2):797-832 (1998).
23. Ertl, G., in Catalysis Science and Technology, Vol. 4 (J. R. Anderson and M. Boudart, eds.), Springer, New York, 1983, p. 209.
24. Norton, P. R., Griffiths, K., and Binder, P. E., Surf. Sci. 138:125-147 (1984).
25. Thiel, P. A., Behm, R. J., Norton, P. R., and Ertl, G., J. Chem. Phys. 78(12):7448-7458 (1983).
26. Imbihl, R., Cox, M. P., and Ertl, G., J. Chem. Phys. 83(4):1578-1587 (1985).
27. Norton, P. R., Davies, J. A., Crebar, D. K., Sitter, C. W., and Jackman, T. E., Surf. Sci. 108:205 (1981).
28. Hopkinson, A., Guo, X.-C., Bradley, J. M., and King, D. A., J. Chem. Phys. 99:8262-8279 (1993).