J. Cortes et al., ADSORPTION MECHANISMS AND SURFACE HETEROGENEITY IN THE OXIDATION REACTION OF CO, The Journal of chemical physics, 109(13), 1998, pp. 5607-5613
A Monte Carlo simulation study is made of the sensitivity of the CO ox
idation reaction to changes in the characteristics of the catalyst's s
urface on which the type of oxygen adsorption mechanism is dependent.
Infinite rate models of the Ziff, Gulari, and Barshad (ZGB) type, and
mechanisms having kinetics parameters of actual experiments from the l
iterature are studied. It is shown that, if linear adsorption is assum
ed, the structural insensitivity becomes apparent in the phase diagram
but not in the production of CO2. In the case of structural sensitivi
ty it is seen that surface heterogeneity leads to a change in the char
acter of the phase transition curve, and also allows information about
the surface to be obtained from the shape of the transition curve. (C
) 1998 American Institute of Physics. [S0021-9606(98)01833-9]