Computational analysis of the slow invariant manifold for single and multi-route reaction mechanisms

Document Type: Research Note

Authors

1 Department of Mathematics and Statistics, Hazara University, Mansehra 21300, Pakistan

2 b. School of Mathematics and Statistics, Beijing Institute of Technology, Beijing 100081, China. c. Department of Mathematics, Mohi-ud-Din Islamic University, Nerian Sharif, 12010 Azad Jammu & Kashmir, Pakistan

10.24200/sci.2020.53151.3080

Abstract

The complexity behavior lies in many natural phenomena’s, such as our ecosystems, the earth’s climate, the behavior of the animal group, living cells and our brain. Therefore, a new field of “systems chemistry” is emerging, which aims to capture the complexity observed in natural systems within a synthetic chemical framework. To understand the physical behavior of the chemical components in a reaction mechanism (system), we need to understand the overall (complete) reactions network as well as different available reaction-paths. We propose the development of a multi-route reaction mechanism for a complex chemical reaction mechanism which is unsolvable through a common way. Further, invariant manifold approximation has been constructed through the Quasi Equilibrium Manifold. The numerical results have been tabulated along with the graphical view through MATLAB

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