Monte-Carlo model for the hydrogenation of alkenes on metal catalyst

Journal of Computational Chemistry

Volumn 19, Issue 4, 1998, Pages 396-403

  Duca, Dario ^a   Baranyai, Péter ^b   Vidóczy, Tamás ^b  

^a CNR   (Italy)

^b CTRL RES INSTITUTE FOR CHEMISTRY   (Hungary)

Author keywords

Catalysis by metal; Catalytic processes; Graphic representation; Monte Carlo simulation; Solid surfaces; Stochastic kinetic model

Indexed keywords

EID: 0001319734     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199803)19:4<396::AID-JCC2>3.0.CO;2-N     Document Type: Article

References (12)

1. R. M. Ziff, E. Gulari, and Y. Barshad, Phys. Rev. Lett., 56, 2553 (1987).
2. M. Frenklach, J. Chem. Phys., 97, 5794 (1992).
3. E. J. Dawnkaski, D. Srivastava, and B. J. Garrison, J. Chem. Phys., 102, 9401 (1995).
4. L. V. Lutsevich, V. I. Elokhin, A. V. Myshlyavtsev, A. G. Usov, and G. S. Yablonskii, J. Catal., 132, 302 (1991).
5. C. E. Allen and G. Sabauer, J. Chem. Phys., 104, 2557 (1996).
6. B. J. Garrison, P. B. S. Kodali, and D. Srivastava, Chem. Rev., 96, 1327 (1996).
7. R. K. Herz, A. Badlani, D. R. Schryer, and B. T. Upchurch, J. Catal., 141, 219 (1993).
8. D. Duca, L. Botár, and T. Vidóczy, J. Catal., 162, 260 (1996).
9. J. J. Carberry, J. Catal., 107, 248 (1987).
10. P. Meakin and D. J. Scalapino, J. Chem. Phys., 87, 731 (1987). H.A. Sadiq, Z. Phys. B., Condensed Matter 67, 211 (1987).
11. P. Meakin and D. J. Scalapino, J. Chem. Phys., 87, 731 (1987). H.A. Sadiq, Z. Phys. B., Condensed Matter 67, 211 (1987).
12. A. Casties, J. Mai, and W. von Niessen, J. Chem. Phys., 99, 3082 (1993).