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Author(s):   Jasper, A.W.; Klippenstein, S.J.; Harding, L.B.; Ruscic, B.
Title:   Kinetics of the reaction of methyl radical with hydroxyl radical and methanol decomposition
Journal:   J. Phys. Chem. A
Volume:   111
Page(s):   3932 - 3950
Year:   2007
Reference type:   Journal article
Squib:   2007JAS/KLI3932-3950

Reaction:   CH3OH → cis-HCOH + H2
Reaction order:   1
Temperature:   1000 - 3000 K
Rate expression:   2.38x1012 [s-1] (T/298 K)1.61 e-368107 [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 variational transition state theory.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1000 9.92E-7
1100 6.47E-5
1200 2.13E-3
1300 4.14E-2
1400 5.32E-1
1500 4.89E0
1600 3.43E1
1700 1.93E2
1800 8.99E2
1900 3.58E3
2000 1.25E4
2100 3.87E4
2200 1.09E5
2300 2.80E5
2400 6.69E5
2500 1.49E6
2600 3.15E6
2700 6.28E6
2800 1.20E7
2900 2.18E7
3000 3.84E7