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

D. S.Y. Hsu*, W. M. Shaub, T. Creamer, D. Gutman, Ming-Chang Lin

*此作品的通信作者

研究成果: Article同行評審

54 引文 斯高帕斯(Scopus)

摘要

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.

原文English
頁(從 - 到)909-919
頁數11
期刊Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics
87
發行號10
DOIs
出版狀態Published - 1 1月 1983

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