Multitarget Global Sensitivity Analysis of n-Butanol Combustion

作者：Zhou Dingyu D Y; Davis Michael J; Skodje Rex T^*

来源：Journal of Physical Chemistry A, 2013, 117(17): 3569-3584.

DOI：10.1021/jp312340q

A model for the combustion of butanol is studied using a recently developed theoretical method for the systematic improvement of the kinetic mechanism. The butanol mechanism includes 1446 reactions, and we demonstrate that it is straightforward and computationally feasible to implement a full global sensitivity analysis incorporating all the reactions. In addition, we extend our previous analysis of ignition delay targets to include species targets. The combination of species and ignition targets leads to multitarget global sensitivity analysis, which allows for a more complete mechanism validation procedure than we previously implemented. The inclusion of species sensitivity analysis allows for a direct comparison between reaction pathway analysis and global sensitivity analysis.

• 出版日期2013-5-2