| Autor: |
Cacciatore, M., Kurnosov, A., Napartovich, A. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 11/1/2005, Vol. 123 Issue 17, p174315, 10p, 5 Charts, 7 Graphs |
| Abstrakt: |
The vibrational energy relaxation in collisions between N2 molecules in the low- and medium-lying vibrationally excited levels was revisited using the semiclassical coupled-state method and the use of two different potential-energy surfaces having the same short-range potential recently determined from ab initio calculations but with different long-range interactions. Compared to the data reported in the classical work by Billing and Fisher [Chem. Phys. 43, 395 (1979)], the newly calculated vibration-to-translation rate constant K(1,0|0,0) is in much better agreement with the available experimental data over a large temperature interval, from T=200 K up to T=6000 K. Nevertheless, as far as the vibration-to-translation exchanges are concerned, the lower-temperature regime remains quite critical in that the new rate constants do not completely account for the rate constant curvature suggested by the experiments for temperatures lower than T=500 K. The dependence of the state-selected vibration-to-vibration rate constants, K(v,v-Δv|0,1), both upon the vibrational quantum number v and the gas temperature are calculated. The substantial deviations from previously found behaviors could have major consequences for the vibrational kinetic modeling of N2-containing gas mixtures. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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