Abstract
A new numerical method to calculate explosion limits of gas mixtures based on Hamiltonian systematization of kinetic models is offered. As a criterion for the critical state of reaction system the extreme behaviour of functions describing total concentration of chemical species is selected.
The present approach enables numerical calculation of kinetic significance of the individual steps and species in the critical ignition conditions of the reaction. The abilities of this numerical method to calculate explosion limits are illustrated by means of the computer programme VALKIN for the reaction mechanism of hydrogen oxidation.
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Martoyan, G.A., Tavadyan, L.A. (2004). Numerical Revelation and Analysis of Critical Ignition Conditions for Branch Chain Reactions by Hamiltonian Systematization Methods of Kinetic Models. In: Laganá, A., Gavrilova, M.L., Kumar, V., Mun, Y., Tan, C.J.K., Gervasi, O. (eds) Computational Science and Its Applications – ICCSA 2004. ICCSA 2004. Lecture Notes in Computer Science, vol 3044. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-24709-8_33
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DOI: https://doi.org/10.1007/978-3-540-24709-8_33
Publisher Name: Springer, Berlin, Heidelberg
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