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Accessibility information
Author(s):   Sharipov, A.; Starik, A.
Title:   Theoretical Study of the Reaction of Carbon Monoxide with Oxygen Molecules in the Ground Triplet and Singlet Delta States
Journal:   J. Phys. Chem. A
Volume:   115
Page(s):   1795 - 1803
Year:   2011
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2011SHA/STA1795-1803

Reaction:   CO + O2CO2 +
Reaction order:   2
Temperature:   800 - 5000 K
Rate expression:   7.23x10-13 [cm3/molecule s] (T/298 K)1.62 e-208011 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated statistical rate theories. The quoted expression represents state-weighted results (i.e., triplet and singlet contributions together).

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
800 9.37E-26
900 3.66E-24
1000 7.00E-23
1100 7.94E-22
1200 6.08E-21
1300 3.44E-20
1400 1.53E-19
1500 5.64E-19
1600 1.78E-18
1700 4.92E-18
1800 1.22E-17
1900 2.77E-17
2000 5.81E-17
2100 1.14E-16
2200 2.12E-16
2300 3.73E-16
2400 6.28E-16
2500 1.02E-15
2600 1.59E-15
2700 2.42E-15
2800 3.57E-15
2900 5.15E-15
3000 7.25E-15
3100 1.00E-14
3200 1.36E-14
3300 1.81E-14
3400 2.37E-14
3500 3.06E-14
3600 3.91E-14
3700 4.93E-14
3800 6.15E-14
3900 7.59E-14
4000 9.29E-14
4100 1.13E-13
4200 1.35E-13
4300 1.62E-13
4400 1.91E-13
4500 2.25E-13
4600 2.63E-13
4700 3.06E-13
4800 3.54E-13
4900 4.07E-13
5000 4.66E-13