Creation of small kinetic models for CFD applications: a meta-heuristic approach

This paper updates a method for generating small, accurate kinetic models for applications in computational fluid dynamics programs. This particular method first uses a time-integrated flux-based algorithm to generate the smallest possible skeletal model based on the detailed kinetic model. Then, it uses a multi-stage optimization process in which multiple runs of a genetic algorithm are used to optimize the rate constant parameters of the retained reactions. This optimization technique provides the user with the flexibility needed to balance the fidelity of the model with their time constraints. The updated method was applied to the reduction of a methane-air model under conditions meant to approximate the end of a compression stroke of an internal combustion engine. When compared to previous techniques, the results showed that this method could produce a more accurate model in considerably less time. The best model obtained in this study resulted in relative errors ranging from 0.22 to 1.14% on all six optimization targets. This reduced model was also able to adequately predict optimization targets for certain operating conditions, which were not included in the optimization process.

Automated summary

This study updates a method for generating small, accurate kinetic models for computational fluid dynamics programs, balancing model fidelity with time constraints through optimizing rate constant parameters, resulting in more accurate models obtained in less time.