Slow invariant manifold assessments in multi-route reaction mechanism

Abstract

A complex chemical scheme is need to reduce their complexity without losing their key features. A chemical reaction scheme has braked down in different available reaction routes. On matrix algebraic approach bases, we analyze key-components, key reactions and reaction routes. A model reduction technique Spectral Quasi Equilibrium Manifold (SQEM) has applied to reduce the dimension of reaction mechanism. However, for the case study the behaviour of different available routes of reaction mechanism presented graphically. The reaction routes and invariants for idealized H2/O six-step reversible system and comparison has not been reported so far. To overcome this difficulty a clue about reaction routes have addressed through analysis of stoichiometry, the route compression with respect to their slow invariant manifold (SIM), the physical behaviour of chemically reacting species near to equilibrium point and extension towards the high dimension are expressed graphically.