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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:   2.74x1011 [s-1] (T/298 K)0.98 e-225559 [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 stepwise mechanism. A separate equation is given for the concerted mechanism.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
300 1.47E-28
400 1.28E-18
500 1.24E-12
600 1.26E-8
700 9.33E-6
800 1.35E-3
900 6.56E-2
1000 1.48E0
1100 1.92E1
1200 1.63E2
1300 1.00E3
1400 4.79E3
1500 1.87E4
1600 6.16E4
1700 1.77E5
1800 4.55E5
1900 1.06E6
2000 2.27E6