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Accessibility information
Author(s):   da Silva, G.; Bozzelli, J.W.
Title:   Kinetic modeling of the benzyl + HO2 reaction
Journal:   Proc. Combust. Inst.
Volume:   32
Page(s):   287 - 294
Year:   2009
Reference type:   Journal article
Squib:   2009DAS/BOZ287-294

Reaction:   C6H5CH2OOH → ·OH + C6H5CH2O
Reaction order:   1
Temperature:   300 - 2000 K
Rate expression:   3.6x1014 [s-1] (T/298 K)0.42 e-166900 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory. This equation is for a concerted mechanism. A separate equation is given for the stepwise mechanism.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
300 3.15E-15
400 6.54E-8
500 1.64E-3
600 1.43E0
700 1.81E2
800 6.91E3
900 1.18E5
1000 1.15E6
1100 7.40E6
1200 3.51E7
1300 1.32E8
1400 4.09E8
1500 1.09E9
1600 2.60E9
1700 5.57E9
1800 1.10E10
1900 2.02E10
2000 3.51E10