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Accessibility information
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:   ·CH3 + ·OHCH3 +
Reaction order:   2
Temperature:   300 - 3000 K
Rate expression:   6.45x10-13 [cm3/molecule s] (T/298 K)1.01 e-49995 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using variational transition state theory and master equation modeling.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 1.28E-21
400 2.57E-19
500 6.53E-18
600 5.83E-17
700 2.85E-16
800 9.56E-16
900 2.48E-15
1000 5.39E-15
1100 1.03E-14
1200 1.77E-14
1300 2.82E-14
1400 4.22E-14
1500 6.03E-14
1600 8.27E-14
1700 1.10E-13
1800 1.42E-13
1900 1.78E-13
2000 2.20E-13
2100 2.67E-13
2200 3.18E-13
2300 3.75E-13
2400 4.37E-13
2500 5.03E-13
2600 5.74E-13
2700 6.50E-13
2800 7.30E-13
2900 8.15E-13
3000 9.04E-13