This paper presents molecular dynamics calculations of vibrational energy transfer and nonequilibrium dissociation in O 2 + O collisions. The O 2 + O interactions are modeled using nine potential energy surfaces corresponding to the 1 1 A , 2 1 A , 1 1 A , 1 3 A , 2 3 A , 1 3 A , 1 5 A , 2 5 A , and 1 5 A states, which govern electronically adiabatic collisions of ground-electronic-state collisions of diatomic oxygen with atomic oxygen. Characteristic vibrational excitation times are calculated over a temperature range of T = 3000    K to T = 15 , 000    K , and nonequilibrium dissociation rate coefficients are calculated over a temperature range of T = 6000    K to T = 15 , 000    K . Vibrational relaxation rates, specific to each PES, are found to vary by over an order of magnitude, indicating that all spin couplings and spatial degeneracies must be considered for accurate predictions of O 2 + O collisions. It has been observed that the characteristic vibrational excitation time for O 2 + O interactions is weakly dependent on temperature and increases slightly with increasing temperature. Predicted nonequilibrium dissociation rates, during quasi-steady state. Agree well with available experimental data, and the coupling between vibrational energy and dissociation is characterized.


    Zugriff

    Zugriff prüfen

    Verfügbarkeit in meiner Bibliothek prüfen

    Bestellung bei Subito €


    Exportieren, teilen und zitieren



    Titel :

    Vibrational Energy Transfer and Collision-Induced Dissociation in O + O 2 Collisions


    Beteiligte:

    Erschienen in:

    Erscheinungsdatum :

    01.07.2019




    Medientyp :

    Aufsatz (Konferenz) , Aufsatz (Zeitschrift)


    Format :

    Elektronische Ressource


    Sprache :

    Englisch