Abstract
Mathematically, complex chemical reactions can be simplified by “model reduction,” that is, the rigorous way of approximating and representing a complex model in simplified form. Furthermore, to reduce the dimension of the reaction mechanism, there are different available model reduction techniques (MRT). Without losing the essential information of the system, we have reduced the higher-dimension manifold to low-dimension manifold using spectral quasi equilibrium manifold (SQEM). Near the equilibrium point for different values of rate constant, the solution trajectories of reacting species are examined. The possible approaches to their solution and key problems are based on the Horiuti’s rules and their slow invariants. The characteristic properties of nodes and trees of reaction mechanisms are addressed with the graph theory. The impact of the rate coefficient over the equilibrium of the system has been measured. The numerical approximations have been measured using SQEM with MATLAB and the model is analyzed graphically.
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Sultan, F., Ali, M., Mustafa, S. et al. The impact of the rate coefficient over the reaction mechanism. Appl Nanosci 10, 5375–5381 (2020). https://doi.org/10.1007/s13204-020-01501-z
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DOI: https://doi.org/10.1007/s13204-020-01501-z