enable models to access the data many thousands of times in validation studies. Common evaluations of relative confidence in those experimental data would have to be established, and software would be needed to carry out the various types of validation and other studies leading to consensus recommendations.

Teams of kinetics experts would be needed to develop analysis tools to arrive at common conclusions and recommendations, and optimization and evaluation tools would be required. Some of these were developed in the production of the GRIMech mechanisms, but the effort required to extend the approach to hydrocarbons in general would be an order-of-magnitude increase in necessary resources.


Frenklach, M. 2007. “Transforming Data into Knowledge—Process Informatics for Combustion Chemistry.” Proceedings of the Combustion Institute, Vol. 31, pp. 125-140.

Naik, C.V., C.K. Westbrook, O. Herbinet, W.J. Pitz, and M. Mehl. 2010. “Detailed Chemical Kinetic Reaction Mechanism for Biodiesel Components Methyl Stearate and Methyl Oleate.” Proceedings of the Combustion Institute, Vol. 33, doi: 10.1016/j.proci.2010.05.007.

Westbrook, C.K., and F.L. Dryer. 1984. “Chemical Kinetics Modeling of Hydrocarbon Combustion.” Progress in Energy Combustion Science, Vol. 10, pp. 1-57.

Westbrook, C.K.,W.J. Pitz, O. Herbinet, H.J. Curran, and E.J. Silke. 2009. “A Comprehensive Detailed Chemical Kinetic Mechanism for Combustion of n-Alkane Hydrocarbons from n-Octane to n-Hexadecane.” Combustion and Flame 156(1):181-199.

Westbrook, C.K., W.J. Pitz, M. Mehl, and H.J. Curran. 2010. “Detailed Chemical Kinetic Reaction Mechanisms for Primary Reference Fuels for Diesel Cetane Number and Spark-Ignition Octane Number.” Proceedings of the Combustion Institute, Vol. 33, doi:10.1016/j.proci.20.05.087.

The National Academies | 500 Fifth St. N.W. | Washington, D.C. 20001
Copyright © National Academy of Sciences. All rights reserved.
Terms of Use and Privacy Statement