Development of a Genetic Algorithm Tool for the Optimization of the Methanol Oxidation

This work presents an automatic optimization tool using the genetic algorithm (GA) for the chemical kinetic model of methanol (CH₃OH) oxidation. A total of 54 parameters of 40 important reactions of the reaction model have been optimized. Ignition delay times measured in shock tubes, concentration profiles measured in plug flow reactors, and laminar flame speeds were used for the model validation. Compared to the results of the initial model, the optimized model exhibits a significantly improved predictive capability for the experimental targets. The GA tool developed in this study has been proven effective for optimizing detailed chemical kinetics models.