Combustion Data

Document contains the geometries and vibrational frequencies for the species addressed in both references 135 and 138.

Document contains 1, 10, 40 atm rate constant parameters for all reactions addressed in reference 193.

Document contains the geometries and vibrational frequencies for additional species considered in reference 193 beyond those addressed in references 135 and 138.

Document contains thermochemical parameters (NASA format) for selected species not considered in the work of Dryer and coworkers (primarily those possibly involved in the reaction of the Criegee intermediate). Such parameters can be used in a reactor modeling program like CHEMKIN and were used in reference 193. If you would like the complete mechanism and complementary thermochemical parameters, please request the CHEMKIN files from Professor Frederick Dryer and add or submechanism parameters accordingly.