O–O2 state-to-state vibrational relaxation and dissociation rates based on quasiclassical calculations |
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| Authors: | Fabrizio Esposito Iole Armenise Giulia Capitta Mario Capitelli |
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| Affiliation: | aIMIP-CNR (Istituto di Metodologie Inorganiche e dei Plasmi, Consiglio Nazionale delle Ricerche), Via Amendola 122/D, 70126 Bari, Italy;bChemistry Department, Bari University, Via Orabona 4, 70126 Bari, Italy |
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| 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 (ASI-CAST project is acknowledged). |
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| Keywords: | Vibrational energy exchange Rate coefficients Dissociation Atom– molecule collisions Oxygen |
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