Single and multiquantum vibrational relaxation of low and highly vibrationally excited levels of CO in collisions with N2 is studied within the semiclassical coupled state method. The dynamics is followed using ab initio interaction potential for the short-range interaction and updated multi-pole expansions for the long range interaction. Compared to the previous study, a better agreement with the available experimental rate constants is obtained, particularly in the critical low temperature regime down to T=80K. Remarkable corrections are found for rate constants for single and multi-quantum transitions between highly excited CO and N2 molecules.

State-to-state rate constant calculations for V-V energy transfer in CO-N2 collisions

M Cacciatore;
2003

Abstract

Single and multiquantum vibrational relaxation of low and highly vibrationally excited levels of CO in collisions with N2 is studied within the semiclassical coupled state method. The dynamics is followed using ab initio interaction potential for the short-range interaction and updated multi-pole expansions for the long range interaction. Compared to the previous study, a better agreement with the available experimental rate constants is obtained, particularly in the critical low temperature regime down to T=80K. Remarkable corrections are found for rate constants for single and multi-quantum transitions between highly excited CO and N2 molecules.
2003
Istituto di Nanotecnologia - NANOTEC
107
2403
Energy Transfers Pro
Plasma Processes
Molecular Dynamics
The work developed in this field by the group of Bari is well recognized and the published collisional data for vibrational energy exchanges in diatomic systems is considered as reference data among the international community. A.Kurnosov held a post doc position in Bari. M. Cacciatore is the reference author of the paper. IF=2.77
1
info:eu-repo/semantics/article
262
A. Kurnosov; M. Cacciatore;G. D. Billing
01 Contributo su Rivista::01.01 Articolo in rivista
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/38286
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