Quasi-classical model for vibrational-translational and vibrational-vibrational rate constants

Citation
Ye. Gorbachev et F. Mallinger, Quasi-classical model for vibrational-translational and vibrational-vibrational rate constants, J THERMOPHY, 13(4), 1999, pp. 411-423
Citations number
21
Categorie Soggetti
Mechanical Engineering
Journal title
JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER
ISSN journal
08878722 → ACNP
Volume
13
Issue
4
Year of publication
1999
Pages
411 - 423
Database
ISI
SICI code
0887-8722(199910/12)13:4<411:QMFVAV>2.0.ZU;2-K
Abstract
We present the derivation and the numerical validation of new vibrational r ate constants for vibrational-translational and vibrational-vibrational pro cesses in a pure diatomic gas. The approach is based on the quasiclassical representation of the T matrix and the approximation of the multidimensiona l trajectories. For moderate temperatures, useful analytical formulas are p roposed. In the case of high temperatures, a numerical integration has to b e performed to compute numerical values of the rate-constants. The rate-con stant model proposed here is compared with the forced-harmonic-osciliator r ate model in a large temperature range and also with three-dimensional semi classical trajectory calculations for low temperatures (200 K less than or equal to T less than or equal to 8000 K), for nitrogen. The agreement is sa tisfatory.