A Model of a Catalytic Reaction with Local Interactions

Abstract

The kinetics of the catalytic oxidation of carbon monoxide on a Pt surface

$$CO{}^{(g)}+\frac{1}{2}O_2^{(g)}\xrightarrow[{surface}]{{Pt}}CO_2^{(g)}$$

((1))

has recently been investigated by means of Monte Carlo simulations. In this paper we consider the reaction (1) described by the simple irreversible model:

$$CO^{(g)} + *\xrightarrow{{k_1 }}CO,$$

((2a))

$$O_2^{(g)} + *\_*\xrightarrow{{k_2 }}O\_O,$$

((2b))

$$CO\_O\xrightarrow{{k_3 }}CO_2^{(g)} + *\_*; $$

((2c))

where^(g) denotes the gaseous species; * stands for an empty site and “_” represents a nearest neighbor (nn) bond on the surface (hereafter a square lattice).