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Accessibility information
Author(s):   Chang, J.G.; Chen, H.T.; Xu, S.C.; Lin, M.C.
Title:   Computational study on the kinetics and mechanisms for the unimolecular decomposition of formic and oxalic Acids
Journal:   J. Phys. Chem. A
Volume:   111
Page(s):   6789 - 6797
Year:   2007
Reference type:   Journal article
Squib:   2007CHA/CHE6789-6797

Reaction:   HOOCCOOHCO2 + CO + H2O
Reaction order:   1
Temperature:   300 - 2000 K
Rate expression:   1.77x1014 [s-1] e-169452 [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 RRKM.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
300 5.55E-16
400 1.32E-8
500 3.51E-4
600 3.13E-1
700 4.01E1
800 1.53E3
900 2.59E4
1000 2.49E5
1100 1.59E6
1200 7.45E6
1300 2.75E7
1400 8.43E7
1500 2.22E8
1600 5.20E8
1700 1.10E9
1800 2.14E9
1900 3.89E9
2000 6.64E9