KINETIC MODELING OF CO PRODUCTION FROM THE REACTION OF CH₃ WITH O₂ IN SHOCK WAVES.

CO concentration-time profiles have been measured by using CO laser resonance absorption in shock tube experiments on the reaction of CH//3 with O//2 in the temperature range from 1150 to 1560 K. Computer kinetic modeling of the profile data yielded k//2 equals 1. 0 multiplied by 10**1**4 exp(15,500 plus or minus 1100)/T) cm**3/mol sec for the CH//3 plus O//2 yields CH//3O plus O reaction. An RRKM calculation, which took into consideration branching of the CH//3 plus O//2 reaction into different product channels, revealed that by assuming a loose transition state (allowing two free internal rotations) leading to the CH//3O plus O product channel, the authors could account very satisfactorily for the results as well as those reported previously for the reaction. A three-parameter least-squares fit of a smooth curve covering data from three independent studies gave rise to the expression: k//2 equals 2. 20 multiplied by 10**3**4 (T/K)** minus **5**. **9**4 exp( minus 21,300 K/T) cm**3/mol sec for the temperature range 1150-2300 K.