2014 , Volume 19, № 5, p.15-23

Traditionally, modeling of complex reactions is implemented in accordance with the mass action law (active surfaces for heterogeneous reactions), i.e. within frameworks of ideal models of chemical kinetics. However, the description of real systems, whose behavior is significantly different from the "ideal", requires implementation of more adequate models. These models need to take into account the influence of complicating factors, first of all, the chemical non-ideality and non-ideality of the adsorbed overlayer of the catalyst. Purpose. In this paper we consider a kinetic model formulated under assumptions of a non-ideal model of the adsorbed overlayer based on the classic example of the Langmuir - Hinshelwood adsorption mechanism with two intermediates. Methodology. The mathematical model of the mechanism linking the macroscopic parameters (surface coverage) with microscopic (lateral interaction energies of adsorbed particles) is presented. We use both 1D and 2D lattice gas model on a square lattice as the model of the adsorbed overlayer. The adsorption isotherms are calculated using the transfer matrix method well known in statistical physics. Findings. It is shown that the profile of the isotherms is completely determined by the values of energies of lateral interactions. The qualitative analysis of the model is carried out; exact analytical expressions for the bifurcation curves are obtained. Originality. The numerical analysis of the model, conducted through the use of the transfer matrix method showed the possibility of self-oscillations both within linear lattice gas model and the square lattice gas model.