Title of article
Computational analysis of the slow invariant manifold for single and multi-route reaction mechanisms
Author/Authors
Shahzad, M. Department of Mathematics and Statistics - Hazara University, Mansehra, Pakistan , Ali, M. Department of Mathematics and Statistics - Hazara University, Mansehra, Pakistan , Sultan, F. Department of Mathematics and Statistics - Hazara University, Mansehra, Pakistan , Azeem Khan, W. School of Mathematics and Statistics - Beijing Institute of Technology, Beijing, China
Pages
7
From page
1293
To page
1299
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.
Keywords
Reaction Mechanism , Reaction-Routes , Invariant Manifold
Journal title
Scientia Iranica(Transactions C: Chemistry, Chemical Engineering)
Serial Year
2020
Record number
2534959
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