Dissociation Rate Coefficient of Oxygen for O&lt;sub&gt;2&lt;/sub&gt; + O Reaction

Matsukawa, Yutaka

doi:10.2322/tjsass.59.371

Cited by 1 publication

(3 citation statements)

References 11 publications

(19 reference statements)

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“…It is also important to stress that if the Nikitin factor works well for O + O 2 , as clear from different, independent works (see refs − , , and ), it should be correct also for any other projectile against O 2 , such as Ar, O 2 , and N. In fact, all the Nikitin’s observations are related to electronic states of O 2 , largely irrespective of the nature of the third body in the collision. For O 2 –O 2 , there is a direct evidence from the recent calculations of Grover et al For Ar–O 2 , the same Nikitin has successfully applied his original model to that case; therefore, it is very likely that the behavior of N + O 2 dissociation will be quite like that of O + O 2 .…”

Section: Resultsmentioning

confidence: 90%

“…Two recent, completely independent works about O + O 2 dissociation can now quantitatively support these observations. Both in refs ( 58 ) and ( 59 ), all the nine PES spin–orbit correlated to the same ground-state reagents in O + O 2 collisions have been independently calculated with accurate ab initio methods and then dissociation has been obtained with the quasiclassical method using all the PESs, with the suited degeneracy weights.…”

Section: Resultsmentioning

confidence: 99%

“…In ref ( 58 ), a direct comparison of thermal dissociation is shown with the results from ref ( 57 ), where only the ground-state PES has been used and no degeneracy factor has been applied. The comparison is very good in the whole temperature range explored.…”

Section: Resultsmentioning

confidence: 99%

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

Esposito

Armenise

2021

J. Phys. Chem. A

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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.

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