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Author(s):
Jodkowski, J.T.; Rayez, M.-T.; Rayez, J.-C.
Title:
Theoretical Study of the Kinetics of the Hydrogen Abstraction from Methanol. 3. Reaction of Methanol with Hydrogen Atom, Methyl, and Hydroxyl Radicals
Journal:
J. Phys. Chem. A
Volume:
103
Page(s):
3750 - 3765
Year:
1999
Reference type:
Journal article
Squib:
1999JOD/RAY3750-3765
Reaction:
CH3OH + H· → H2 + (·)CH2OH
Reaction order:
2
Temperature:
300 - 2000
K
Rate expression:
1.86x10-13 [cm3/molecule s] (T/298 K)3.20 e-14592 [J/mole]/RT
Category: Theory
Data type:
Ab initio
Comments:
The calculated rate constants are in good agreement with experiment.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
T (K) | k(T) [cm3/molecule s] |
300 |
5.47E-16 |
400 |
5.93E-15 |
500 |
2.91E-14 |
600 |
9.37E-14 |
700 |
2.33E-13 |
800 |
4.89E-13 |
900 |
9.09E-13 |
1000 |
1.55E-12 |
1100 |
2.46E-12 |
1200 |
3.72E-12 |
1300 |
5.37E-12 |
1400 |
7.50E-12 |
1500 |
1.02E-11 |
1600 |
1.35E-11 |
1700 |
1.74E-11 |
1800 |
2.22E-11 |
1900 |
2.77E-11 |
2000 |
3.42E-11 |
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