Computing the Steady state Dynamics: The Chemical Graphs of Complex Reaction

Abstract

In a thermodynamically isolated system, in order to obtain numerical approximations of the complex models, different model reduction techniques are applied to reduce the complex chemical reactions from high dimensional to low dimensional manifolds. These techniques not only reduce the system but also provide the complete description of reaction kinetics. These techniques include Quasi Steady State Approximations, Partial Equilibrium Technique, Intrinsic Low Dimensional Manifold Method, etc. Among all these techniques, Spectral Quasi Equilibrium Manifold Method is one of the most convenient way to find the initial approximations of slow invariant manifolds. Initial invariant grids completely describe the slow invariant manifolds which are obtained from the dissipative system. This method is applicable for high dimensional complex chemical reactions.