Detailed chemical kinetic model for ethanol oxidation

A detailed chemical kinetic model for ethanol oxidation has been developed and validated against a variety of experimental data sets. Laminar flame speed data obtained from a constant volume bomb, ignition delay data behind reflected shock waves, and ethanol oxidation product profiles from a turbulent flow reactor were used in this study. Very good agreement was found in modeling the data sets obtained from the three different experimental systems. The computational modeling results show that high temperature ethanol oxidation exhibits strong sensitivity to the fall-off kinetics of ethanol decomposition, branching ratio selection for c2h5oh+oh=products, and reactions involving the hydroperoxyl (HO2) radical