O -O2 state-to-state vibrational relaxation and dissociation rates based on quasiclassical calculations
Articolo
Data di Pubblicazione:
2008
Abstract:
A complete set of V-T (vibration-translation) relaxation rates and of dissociation coefficients for the system O-O2 have been obtained by using quasiclassical trajectories on the Varandas and Pais potential energy surface. The results, averaged on a Boltzmann rotational distribution, cover the whole range of the vibrational ladder and are reproduced in closed form ready to be implemented in state-to-state kinetic models. The accuracy of the results has been tested by comparing them with available experimental and theoretical values
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Vibrational energy exchange; Rate coefficients; Dissociation; Atom-molecule collisions; Oxygen
Elenco autori:
Capitelli, Mario; Capitta, Giulia; Armenise, Iole; Esposito, Fabrizio
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