posted on 2017-07-25, 20:13authored byPierre Bhoorasingh, Belinda Slakman, Fariba Seyedzadeh Khansan, Jason Cain, Richard WestRichard West
Data in CSV format and Jupyter notebook and python scripts used to analyze the data and produce the figures, which are also included. The figures show the comparison between reaction rates calculated using the AutoTST algorithm and those found in a LLNL model of butanol combustion, and estimates made by the Reaction Mechanism Generator RMG.