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

O -O2 state-to-state vibrational relaxation and dissociation rates based on quasiclassical calculations

F Esposito;M Capitelli
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
2008
Istituto di Nanotecnologia - NANOTEC
Vibrational energy exchange
Rate coefficients
Dissociation
Atom-molecule collisions
Oxygen
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/33654
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