(653g) Graph Theory Applied to Plasma Chemical Reaction Engineering
AIChE Annual Meeting
Thursday, November 19, 2020 - 9:30am to 9:45am
It was found that the use of reaction-nodes combined with the use of some characteristic parameters allowed a large amount of key information on the air plasma chemical reaction system to be assessed simultaneously using a leading open source graph visualisation software (Gephi). From a connectivity matrix of runs of Dijkstraâs shortest path algorithm between each two species it could be seen which species had a higher potential to be formed than to be destroyed, and vice versa.
Further investigation into how the graph could be used to provide key information for reaction engineering lead to the development of a relatively simple algorithm: Optimal Condition Approaching via Reaction In Network Analysis (OCARINA). The algorithm analyses the graph system to suggest conditions could be most beneficial for the formation of a selected species. The predictions given by running OCARINA on a pre-existing air plasma reaction dataset display significant similarities to a well-known electric field strength regime for optimal ozone production. This could potentially be a useful aid in the selection of simulations and experiments to direct valuable time and resources.