  Side-by-side comparison of detailed kinetic models using a new tool to aid
recognition of species structures reveals significant discrepancies in the
published rates of many reactions and thermochemistry of many species. We
present a first automated assessment of the impact of these varying parameters
on observable quantities of interest---in this case, autoignition delay---using
literature experimental data. A recent kinetic model for the isomers of butanol
was imported into a common database. Individual reaction rate and thermodynamic
parameters of species were varied using values encountered in combustion models
from recent literature. The effects of over 1600 alternative parameters were
considered. Separately, experimental data were collected from recent
publications and converted into the standard YAML-based ChemKED format. The
Cantera-based model validation tool, PyTeCK, was used to automatically simulate
autoignition using the generated models and experimental data, to judge the
performance of the models. Taken individually, most of the parameter
substitutions have little effect on the overall model performance, although a
handful have quite large effects, and are investigated more thoroughly.
Additionally, models varying multiple parameters simultaneously were evolved
using a genetic algorithm to give fastest and slowest autoignition delay times,
showing that changes exceeding a factor of 10 in ignition delay time are
possible by cherry-picking from only accepted, published parameters. All data
and software used in this study are available openly.
