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Reactive, Inelastic, and Dissociation Processes in Collisions of Atomic Nitrogen with Molecular Oxygen

Academic Article
Publication Date:
2021
abstract:
Collisions of atomic nitrogen with molecular oxygen have been treated with the quasiclassical trajectory method (QCT) in order to obtain a complete database of vibrationally detailed cross sections and rate coefficients for reactive, inelastic, and dissociation processes. For reaction rate coefficients, the agreement with experimental and theoretical data in the literature is excellent on the whole available interval 300-5000 K, with reliable extension to 20,000 K. For the inelastic case and for dissociation, no comparisons are available; therefore, a study of QCT reliability is proposed. In the inelastic case, it is found that "purely inelastic" and "quasireactive" collisions show not only different mechanisms but also different QCT levels of reliability at low energy. For dissociation, similar considerations bring to the conclusion that for the present collisional system, the QCT method is appropriate on the whole energy range studied. Rate coefficients for all the processes studied are provided in the electronic form.
Iris type:
01.01 Articolo in rivista
Keywords:
inelastic; reactive; dissociation; quasiclassical; N+O2; vibrational
List of contributors:
Armenise, Iole; Esposito, Fabrizio
Authors of the University:
ARMENISE IOLE
ESPOSITO FABRIZIO
Handle:
https://iris.cnr.it/handle/20.500.14243/399558
Published in:
JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY
Journal
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URL

https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c09999
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