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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 → CH2(1) + H2O
Reaction order:   1
Temperature:   1000 - 3000 K
Rate expression:   9.51x1015 [s-1] (T/298 K)-1.02 e-383763 [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 2.50E-5
1100 1.51E-3
1200 4.56E-2
1300 8.09E-1
1400 9.48E0
1500 7.96E1
1600 5.10E2
1700 2.62E3
1800 1.12E4
1900 4.07E4
2000 1.30E5
2100 3.72E5
2200 9.63E5
2300 2.29E6
2400 5.07E6
2500 1.05E7
2600 2.05E7
2700 3.81E7
2800 6.76E7
2900 1.15E8
3000 1.89E8