Mariia A. Kozlova, Vitaly A. Shamansky

Melentiev Energy Systems Institute SB RAS

The article describes a technique for constructing an oriented hypergraph of chemical reactions for a reacting system. The analysis of such a graph makes it possible to evaluate the influence of certain reactions and reaction paths (total reactions) on the chemical composition of the final products. In this work, all possible combinations of elementary reactions of hydrogen combustion in oxygen were enumerated, while the criterion for the connectivity of the corresponding graph was the formation of all substances from a pre-specified list, while the probability of termination was calculated.

graph of chemical reactions, chemical kinetics, mathematical modeling, combustion processes