Analyzing multi-step reaction mechanisms: Unveiling non-linear dynamics with advanced reduction techniques

Abstract

This study aims to achieve the computational results for the oxidation of carbon monoxide using the spectral quasi-equilibrium manifold and the intrinsic low-dimensional manifold techniques, enabling the identification of the slow invariant manifold and subsequent simulation of the solutions. In addition, the application of Gibbs’ rule facilitates the reduction of the system, thereby effectively transforming higher dimensions into lower dimensions, ultimately revealing the underlying 1D manifold dynamics. This research serves to elucidate the intricacies of phase-shifting behaviors in the context of key species within the overarching and interconnected multi-step reaction mechanisms, contributing significantly to the advancement of understanding in this complex field.