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Accessibility information
Author(s):   da Silva, G.
Title:   Hydroxyl radical regeneration in the photochemical oxidation of glyoxal: kinetics and mechanism of the HC(O)CO + O2 reaction
Journal:   Phys. Chem. Chem. Phys.
Volume:   12
Page(s):   6698 - 6705
Year:   2010
Reference type:   Journal article
Squib:   2010DAS6698-6705

Reaction:   HC(O)C(O)O2O2 + HC(O)CO
Reaction order:   1
Temperature:   200 - 2000 K
Rate expression:   2.55x1013 [s-1] (T/298 K)0.61 e-119470 [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.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 1.26E-18
300 4.04E-8
400 7.63E-3
500 1.15E1
600 1.55E3
700 5.21E4
800 7.35E5
900 5.81E6
1000 3.06E7
1100 1.20E8
1200 3.74E8
1300 9.87E8
1400 2.27E9
1500 4.70E9
1600 8.90E9
1700 1.57E10
1800 2.59E10
1900 4.08E10
2000 6.14E10