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Author(s):   Golden, D.M.; Smith, G.P.; McEwen, A.B.; Yu, C.-L.; Eiteneer, B.; Frenklach, M.; Yaghjiani, G.L.; Ravishankara, A.R.; Tully, F.P.
Title:   OH(OD) + CO: measurements and an optimized RRKM fit
Journal:   J. Phys. Chem. A
Volume:   102
Page(s):   8598 - 8606
Year:   1998
Reference type:   Journal article
Squib:   1998GOL/SMI8598-8606

Reaction:   DOC(O)· → CO2 + D
Reaction order:   2
Temperature:   253 - 2600 K
Rate expression:   1.4x10-29 [cm3/molecule s] (T/298 K)-2.61 e-157942 [J/mole]/RT
Category:  Experiment
Data type:   Experimental value and limited review
Pressure dependence:   Rate constant is low pressure limit
Comments:   Measurements were made for the rate constant of OH + CO + He at 293 K, and OD + CO + M (M) He, Ar, N2, air, SF6) at 253-343 K. Results were also obtained for OH + CO in a shock tube at 1400-2600 K using OH and CO absorption. A two-channel RRKM model of these and other representative results was constructed, with five adjustable parameters. A systematic optimization method was then employed to produce the best fit of the data and provide predictive k(T,P,D/H) expressions for other conditions.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
253 5.30E-62
300 4.36E-57
400 1.54E-50
500 1.15E-46
600 4.00E-44
700 2.46E-42
800 5.17E-41
900 5.31E-40
1000 3.33E-39
1100 1.46E-38
1200 4.90E-38
1300 1.34E-37
1400 3.15E-37
1500 6.49E-37
1600 1.21E-36
1700 2.08E-36
1800 3.33E-36
1900 5.03E-36
2000 7.25E-36
2100 1.00E-35
2200 1.34E-35
2300 1.74E-35
2400 2.19E-35
2500 2.71E-35
2600 3.27E-35