The quantitative role of chemical species in multi-route reaction: A mathematical paradigm

Abstract

In the field of chemical kinetics, many researchers are familiar with the idea of mathematical modeling in terms of ordinary differential equations. However, the statistical analysis on the involvement of the species (chemical component) and their role at each step and during their available routes covers the hierarchy of mathematical models in applied and computational mathematics. This paper will focus on the participation of chemical species and the invariant region of the reaction mechanism. The invariant region gives an idea of where invariant manifold (low dimensional manifold) lies when applying some model reduction technique. Here, a computational technique ‘Spectral Quasi Equilibrium Manifold’ (SQEM) gives accurate grid points to achieve the required dimensional curves without affecting the accuracy of the system.