Authors: A. Saylam, M. Ribaucour, W. J. Pitz, and R. Minetti
Document type: Published journal article
Journal: International Journal of Chemical Kinetics
Year: 2007
Volume: 39
Pages: 181–196
DOI: 10.1002/kin.20232
This study describes a new technique for reducing detailed chemical kinetic mechanisms for autoignition. The method combines reaction-rate analysis with sensitivity analysis to identify redundant reactions and construct reduced mechanisms.
The influence of the threshold values used in both analyses on the size and efficiency of the reduced mechanisms is examined, and rules for selecting these thresholds are defined. The reduction technique is applied to detailed autoignition mechanisms for two reference hydrocarbons: n-heptane and isooctane.
The reduced mechanisms reproduce the predictions of the full mechanisms with good accuracy for ignition delay times and intermediate-species concentrations. A speedup factor of 5.9 is obtained for the n-heptane mechanism and 16.7 for the isooctane mechanism.
PDF: chemical-kinetic-mechanism-reduction.pdf
Saylam, A., Ribaucour, M., Pitz, W. J., & Minetti, R. (2007). Reduction of large detailed chemical kinetic mechanisms for autoignition using joint analyses of reaction rates and sensitivities. International Journal of Chemical Kinetics, 39, 181–196. https://doi.org/10.1002/kin.20232