Monte Carlo studies of the dynamic behavior of the reduction reaction of NO by CO over a surface of clusters supported on a fractal.
A Monte Carlo simulation study is made of the dynamic behavior of the reduction reaction of NO by CO, assuming an experimentally representative mechanism, over a catalytic substrate consisting of clusters of active sites supported on a fractal. Various empirical laws are found for the evolution in time of production over various cyclic graphs or trees that represent the various clusters of catalytic sites on the surface. An analysis is made of the phase diagrams and the production achieved versus concentration of the gas phase at different temperatures.
Cortés
Joaquín
J
Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Casilla 2777, Santiago, Chile. jcortes@dqb.uchile.cl
Valencia
Eliana
E