Quasi-classical dynamics and vibrational kinetics of N+N-2(nu) system

Citation
F. Esposito et al., Quasi-classical dynamics and vibrational kinetics of N+N-2(nu) system, CHEM PHYS, 257(2-3), 2000, pp. 193-202
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS
ISSN journal
03010104 → ACNP
Volume
257
Issue
2-3
Year of publication
2000
Pages
193 - 202
Database
ISI
SICI code
0301-0104(20000715)257:2-3<193:QDAVKO>2.0.ZU;2-6
Abstract
Vibrational-translational (V-T) energy transfer and dissociation cross-sect ions of collisions of nitrogen atoms with rovibrationally excited nitrogen molecules are calculated by a quasi-classical dynamical approach. The resul ts, relative to the whole set of vibrational states and interpolated on rot ation, including quasi-bound levels, are used in a kinetic scheme for study ing the global rate of dissociation. The kinetic model, which solves a syst em of 68 vibrational levels submitted to the action of V-T and dissociation processes, reveals some distortions in the resulting vibrational distribut ion function for nu > 40. The calculated global dissociation rate is in goo d agreement with the experimental results in a wide temperature range. (C) 2000 Elsevier Science B.V. All rights reserved.