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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·CH3 + ·OH
Reaction order:   1
Temperature:   1000 - 3000 K
Rate expression:   6.28x1016 [s-1] (T/298 K)-0.61 e-387230 [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 1.77E-4
1100 1.15E-2
1200 3.72E-1
1300 7.01E0
1400 8.65E1
1500 7.62E2
1600 5.10E3
1700 2.72E4
1800 1.20E5
1900 4.55E5
2000 1.50E6
2100 4.41E6
2200 1.18E7
2300 2.87E7
2400 6.50E7
2500 1.38E8
2600 2.75E8
2700 5.22E8
2800 9.46E8
2900 1.64E9
3000 2.75E9