Simulations of the effect of preadsorbed poisons and promoters on irreversible surface reactions
作者： J.-P. Hovi , J. Vaari , H.-P. Kaukonen , R.M. Nieminen
DOI: 10.1016/0927-0256(92)90005-T
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摘要: Abstract We have studied the effect of preadsorbed (lead) poisons and (alkali) promoters on oxidation reaction carbon monoxide 2CO + O2 → 2CO2 by computer simulations. used an extended version discrete, irreversible model introduced Ziff, Gulari Barshad (ZGB). In adsorbed are represented inactive sites where adsorption reactants is not possible. poisoning case phase diagram catalytic system in (θPb, pCO) plane obtained analyzed. The maximum production rate discussed. varying oxygen sticking coefficient ZGB studied. promoters, which interact locally with oxygen, investigated. Two different interaction ranges between promoter molecule considered. range coverage determine whether promoting or dominating.
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sci-hub.se 参考文章(12)
M. Shelef, K. Otto, N.C. Otto, Poisoning of Automotive Catalysts Advances in Catalysis. ,vol. 27, pp. 311- 365 ,(1979) , 10.1016/S0360-0564(08)60059-0
Iwan Jensen, Hans C. Fogedby, Ronald Dickman, Critical exponents for an irreversible surface reaction model. Physical Review A. ,vol. 41, pp. 3411- 3414 ,(1990) , 10.1103/PHYSREVA.41.3411
J. W. Evans, M. S. Miesch, Characterizing kinetics near a first-order catalytic-poisoning transition. Physical Review Letters. ,vol. 66, pp. 833- 836 ,(1991) , 10.1103/PHYSREVLETT.66.833
J.K. Brown, A.C. Luntz, Molecular beam studies of alkali promotion: O2 sticking on Pt(111)+K Chemical Physics Letters. ,vol. 186, pp. 125- 129 ,(1991) , 10.1016/S0009-2614(91)85117-F
Y Ziff, R.M., Gulari, E., Barshad, Kinetic phase transitions in an irreversible surface-reaction model. Physical Review Letters. ,vol. 56, pp. 2553- 2556 ,(1986) , 10.1103/PHYSREVLETT.56.2553
Ezequiel V. Albano, On the self-poisoning of small particles upon island formation of the reactants in a model for a heterogeneously catalyzed reaction Journal of Chemical Physics. ,vol. 94, pp. 1499- 1504 ,(1991) , 10.1063/1.460009
Ezequiel V. Albano, Finite-size effects in kinetic phase transitions of a model reaction on a fractal surface: Scaling approach and Monte Carlo investigation. Physical Review B. ,vol. 42, pp. 10818- 10821 ,(1990) , 10.1103/PHYSREVB.42.10818
H.‐P. Kaukonen, R. M. Nieminen, Computer simulations studies of the catalytic oxidation of carbon monoxide on platinum metals Journal of Chemical Physics. ,vol. 91, pp. 4380- 4386 ,(1989) , 10.1063/1.456818
M.E. Bridge, R.M. Lambert, Oxygen chemisorption, surface oxidation, and the oxidation of carbon monoxide on cobalt (0001) Surface Science. ,vol. 82, pp. 413- 424 ,(1979) , 10.1016/0039-6028(79)90199-7
Ezequiel V. Albano, Monte-Carlo simulation of the oxidation of carbon monoxide on fractal surfaces Surface Science. ,vol. 235, pp. 351- 359 ,(1990) , 10.1016/0039-6028(90)90810-U