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Computational Ecology and Software, 2015, 5(3): 254-270
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Article

Measuring the complex behavior of the SO2 oxidation reaction

Muhammad Shahzad1, Sumaira Rehman1, Rabia Bibi1, Hafiz Abdul Wahab1, Saleem Abdullah1, Sarfraz Ahmed2
1Department of Mathematics, HazaraUniversity, Mansehra, 21300, Pakistan
2Department of Mathematics, Abbottabad University of Science and Technology, Abbottabad, Pakistan

Received 27 April 2015;Accepted 5 June 2015;Published online 1 September 2015
IAEES

Abstract
The two step reversible chemical reaction involving five chemical species is investigated. The quasi equilibrium manifold (QEM) and spectral quasi equilibrium manifold (SQEM) are used for initial approximation to simplify the mechanisms, which we want to utilize in order to investigate the behavior of the desired species. They show a meaningful picture, but for maximum clarity, the investigation method of invariant grid (MIG) is employed. These methods simplify the complex chemical kinetics and deduce low dimensional manifold (LDM) from the high dimensional mechanism. The coverage of the species near equilibrium point is investigated and then we shall discuss moving along the equilibrium of ODEs. The steady state behavior is observed and the Lyapunov function is utilized to study the stability of ODEs. Graphical results are used to describe the physical aspects of measurements.

Keywords chemical kinetics;key variables;slow manifold;refinement;Lyapunov function.


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