Computing the solution trajectories, steady state approximation, and sensitivity analysis in complex chemical reaction mechanism

Abstract

Ordinary differential equations are often employed in chemical kinetics mathematical modeling. The theoretical results for a model of a multi-step chemical kinetic process are presented in this article. This model seeks to describe both the complicated kinetics of complex chemical processes and the steady state behavior of chemical species. Reduction techniques are used to divide fast and slow processes according to their time scales, which simplifies the model. As a result, the quick processes are removed, making the slow processes the main emphasis of a reduced-dimensional model. The paper concentrates on a two-step reversible reaction mechanism for model reduction, which reduces the complexity of the entire reaction process. The phase flow of solution trajectories close to equilibrium points is also given special consideration in the analysis as it offers a clear and pertinent depiction of the behavior of the system. The physical properties of the observed data are further shown via MATLAB simulations. Sensitivity analysis computes parameters, revealing their impact on species behavior, visually presenting the parameter impact.