Low temperature state-to-state vibrational kinetics of O + N2(v) and N + O2(v) collisions

[Display omitted] •O + N2: fit of the reactive and dissociation state-to-state rates for T = 300–1000 K.•N + O2: fit of reactive, inelastic, dissociation state-to-state rates (T = 300–1000 K)•O + N2 and N + O2 reactive state-selected rates in the range 300 K ≤ T ≤ 1000 K.•N2/N/O2/O/NO mixture: 0-d t...

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Veröffentlicht in:Chemical physics 2023-07, Vol.571, p.111937, Article 111937
1. Verfasser: Armenise, Iole
Format: Artikel
Sprache:eng
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Zusammenfassung:[Display omitted] •O + N2: fit of the reactive and dissociation state-to-state rates for T = 300–1000 K.•N + O2: fit of reactive, inelastic, dissociation state-to-state rates (T = 300–1000 K)•O + N2 and N + O2 reactive state-selected rates in the range 300 K ≤ T ≤ 1000 K.•N2/N/O2/O/NO mixture: 0-d time-dependent state-to-state vibrational kinetics model possible applications: plasma medicine and nitrogen fixation modelling. Starting from an equilibrium initial condition at 3000 K, the non-equilibrium vibrational kinetics of a 500 K atmospheric pressure N2/N/O2/O/NO mixture is investigated with a zero-dimensional time-dependent numerical solver. Attention is devoted to the O + N2(v) and N + O2(v) collisions, thanks to new QCT state-to-state rates from the literature. The Zeldovich and the dissociation–recombination reactions are considered; for the N + O2(v) collisions the inelastic vT processes are considered too. Interpolation formulae of the corresponding rates are proposed. The mixture behaviour depends on the combined effects of the different processes, however under the conditions adopted the forward second Zeldovich reaction switches on the kinetics towards a new equilibrium. The aim of the present study is to open the door to more complex applications of plasmas in the fields of the plasma medicine, the fertilizers production and, more in general, of the nitrogen fixation.
ISSN:0301-0104
DOI:10.1016/j.chemphys.2023.111937