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On the theory of the reaction rate of vibrationally excited CO molecules with OH radicals.
- Source :
-
Journal of Chemical Physics . 1/14/2006, Vol. 124 Issue 2, p024306. 5p. 1 Diagram, 1 Chart, 5 Graphs. - Publication Year :
- 2006
-
Abstract
- The dependence of the rate of the reaction CO+OH→H+CO2 on the CO-vibrational excitation is treated here theoretically. Both the Rice-Ramsperger-Kassel-Marcus (RRKM) rate constant kRRKM and a nonstatistical modification knon [W.-C. Chen and R. A. Marcus, J. Chem. Phys. 123, 094307 (2005).] are used in the analysis. The experimentally measured rate constant shows an apparent (large error bars) decrease with increasing CO-vibrational temperature Tv over the range of Tv’s studied, 298–1800 K. Both kRRKM(Tv) and knon(Tv) show the same trend over the Tv-range studied, but the knon(Tv) vs Tv plot shows a larger effect. The various trends can be understood in simple terms. The calculated rate constant kv decreases with increasing CO vibrational quantum number v, on going from v=0 to v=1, by factors of 1.5 and 3 in the RRKM and nonstatistical calculations, respectively. It then increases when v is increased further. These results can be regarded as a prediction when v state-selected rate constants become available. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 124
- Issue :
- 2
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 19476330
- Full Text :
- https://doi.org/10.1063/1.2148408