Comparison of First, Second and Third Generation Graph Reduction Methods in Chemical Kinetics Models

A detailed description of the mechanisms of chemical reactions of hydrocarbon oxidation includes many different pathways and sets of elementary reactions, which makes it difficult to use large-size models to calculate complex combustion phenomena. To address this problem, methods of reduction of chemical kinetic mechanisms are applied. In this paper, a comparative analysis of the performance of graph reduction methods of different generations is carried out. The initial kinetic mechanism is represented as an oriented graph, the nodes of which correspond to chemical substances, the arcs reflect the dependencies between substances. The advantage of these methods lies in their lower computational costs and their ability to form rather compact reduced models.