Slow invariant manifolds and its approximation in a multi-route reaction mechanism: A case study of iodized H2/O mechanism

To reduce the complexity of the reaction mechanism, we need to split down the complex mechanism in different available reaction routes by using Horiuti rule. However, the model reduction and refinement approaches for different reaction routes are highly dependent upon the slow invariant manifold approximations. The main objectives of the current article are to find the solution curves through the method of construction of invariant manifold (Spectral Quasi Equilibrium Manifold) taking single and multi-route reaction mechanisms. Further, Method of Invariant Grid (MIG) is applied to refine the approximated solution curve. A comparison between approximated and refined solution curves of different reaction routes for idealized H-2/O six-step reversible system is also reported graphically. The results are obtained through MATLAB. (C) 2019 Elsevier B.V. All rights reserved.