TY - JOUR

T1 - KINETIC MODELING OF CO PRODUCTION FROM THE REACTION OF CH3 WITH O2 IN SHOCK WAVES.

AU - Hsu, D. S.Y.

AU - Shaub, W. M.

AU - Creamer, T.

AU - Gutman, D.

AU - Lin, Ming-Chang

PY - 1983/1/1

Y1 - 1983/1/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0020831227&partnerID=8YFLogxK

U2 - 10.1002/bbpc.19830871016

DO - 10.1002/bbpc.19830871016

M3 - Article

AN - SCOPUS:0020831227

VL - 87

SP - 909

EP - 919

JO - Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics

JF - Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics

SN - 0005-9021

IS - 10

ER -