title: Multitarget global sensitivity analysis of n-butanol combustion.
abstract: 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.
authors.affiliation: Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215, USA.
authors.forename: Dingyu D Y
authors.initials: DD
authors.lastname: Zhou
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Davis
authors.forename: Rex T
authors.initials: RT
authors.lastname: Skodje
mesh_terms: D020001:1-Butanol / Q000737:chemistry*; D007700:Kinetics
chemical_list: D020001:1-Butanol