Release:
2026. Vol. 12. № 1 (45)About the author:
Mariia A. Kozlova, junior researcher in the laboratory “ Thermodynamics “ No. 72, the Melentiev Energy Systems Institute of the Siberian Branch of the Russian Academy of Sciences; kma95@isem.irk.ru, https://orcid.org/0000-0001-8860-6768, https://elibrary.ru/author_profile.asp?authorid=1157720Abstract:
In this paper, we developed and tested an algorithm for analyzing a stage-by-stage hypergraph of chemical reactions using the example of methane combustion in pure oxygen. The hypergraph visualizes the chemical reaction mechanism. The algorithm’s input data is a detailed mechanism listing components and reactions. At each stage of the hypergraph, the reaction rates and equilibrium amounts of substances present in the system at that stage are calculated. This approach allows us to discard components that cannot form as a result of a chain of interconversions. The calculation results show the dependence of component quantities on the hypergraph stage. Temperature dependences of significant substances were also obtained. The calculations showed that as temperature increases, the number of significant components decreases, and the final result is influenced by the choice of reaction sequenceKeywords:
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