Stochastic model of oxygen adsorption

Abstract

The authors propose a microscopic stochastic model of the process of oxygen adsorption on the surface of a solid object. As a first approximation, the constructed model describes the dynamics of the system in terms of a planar surface coating with oxygen adatoms. A simplified diagram of the adsorbent surface oxidation mechanism is presented in five stages. The reaction conditions are determined by the temperature of the crystal surface and the partial pressure of the reagent in the gas phase. The reaction is considered as a random Markov process with a discrete set of states for a stream of elementary events occurring on a fragment of an ideal square lattice of ferrous sulfide with periodic boundary conditions. For the constructed model, numerical calculations are done using a software solution and the results of computational experiments are presented. The research results analysis suggests that the presented mathematical process model of oxygen adsorption on the ferrous sulfide surface along with the software solution for simulation studies can be used to determine control parameters for various technological processes.