The dynamics of collisions between N atoms and vibrationally excited N,( VQ 15) have been studied using a new method in which quasiclassical trajectories are initiated at suitably chosen transition states. The transition state for a particular vibrational level u is determined by first finding PODSs
Quasiclassical calculations of the rate constants for V-V exchange in nitrogen
โ Scribed by Yu.N. Zhuk; K.S. Klopovsky
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 287 KB
- Volume
- 153
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
Vibration-vibration (V-V) exchange rate constants in nitrogen have been calculated using the integral quasiclassical representation method over a wide temperature range. Four different model intermolecular potentials arc used. Comparison with experimental data and with calculations using other semiclassical methods show satisfactory agreement. A dependence ofthe parameter S,, on the vibrational level n was found which accounts for the discrepancy between the experimental data for S,,. The hmited applicability of the conventional parameterization for the V-V exchange rates through Q,,and 6," for near-resonant processes is shown.
๐ SIMILAR VOLUMES
A semiclassical collision modei has been irscd to cafcuhite the rate constant for vibrational reltxrtion in HD fu = 1, j = 0) colIid~ag with 4tie. The He + HD potential surface was obtained from an analyticat He + Hz surface previousfy used for similar c~caIatjons on NC f Hz and He + Dz\_ The fheorc
The collisional deactivation of HgBr (B %) by He, Ar and Xe has been studied using quasiclassical trajectory calculations. HgBr was initially vibrationally excited in v= 52. The transition probabilities for He and Ar show a double exponential behaviour, while for Xe they are well described by the ad