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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 → trans-HCOH + H2
Reaction order:   1
Temperature:   1000 - 3000 K
Rate expression:   1.91x1012 [s-1] (T/298 K)1.65 e-354554 [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 4.26E-6
1100 2.41E-4
1200 7.02E-3
1300 1.23E-1
1400 1.45E0
1500 1.24E1
1600 8.15E1
1700 4.32E2
1800 1.91E3
1900 7.27E3
2000 2.43E4
2100 7.27E4
2200 1.98E5
2300 4.94E5
2400 1.15E6
2500 2.50E6
2600 5.14E6
2700 1.00E7
2800 1.87E7
2900 3.36E7
3000 5.79E7