Heavy-particle elementary processes in hypersonic flows

Esposito, Fabrizio; Macdonald, Robyn L.; Boyd, Iain D.; Neitzel, Kevin; Andrienko, Daniil A.

doi:10.1088/2053-2563/aae894ch16

Cited by 4 publications

(2 citation statements)

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“…The problem in this case is in the dynamical method adopted, unable to associate tiny variations in the vibrational (classical) state of motion to low quantum probabilities, condition easily met at low total energy. For the details of the QCT issues in this case the reader is referred to [37,42,43], where even a possible solution is suggested, by discriminating weak (purely non-reactive, PNR) and strong (quasi-reactive, QR) interactions in QCT and leaving weak interactions treatment to another simple semiclassical method to be used in conjunction with QCT in an efficient and accurate way (this sort of hybrid semi-QCT could be important even for N + N 2 (v) VT process, because it is very likely that the inelastic process is underestimated by the standard QCT. It is worth noting this is not true for reactive N + N 2 (v) collisions, see [43] for details).…”

Section: Vibrationally Inelastic O + N 2 Collisionsmentioning

confidence: 99%

“…For the details of the QCT issues in this case the reader is referred to [37,42,43], where even a possible solution is suggested, by discriminating weak (purely non-reactive, PNR) and strong (quasi-reactive, QR) interactions in QCT and leaving weak interactions treatment to another simple semiclassical method to be used in conjunction with QCT in an efficient and accurate way (this sort of hybrid semi-QCT could be important even for N + N 2 (v) VT process, because it is very likely that the inelastic process is underestimated by the standard QCT. It is worth noting this is not true for reactive N + N 2 (v) collisions, see [43] for details). It is important to stress here that PNR contribution can be in principle be obtained by forced harmonic oscillator (FHO) method, but this is not the case for QR contribution, which is a reactive dynamics.…”

Section: Vibrationally Inelastic O + N 2 Collisionsmentioning

confidence: 99%

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On the relevance of accurate input data for vibrational kinetics in air cold plasmas: the case of nitrogen fixation

Esposito

2022

Plasma Sources Sci. Technol.

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The need for green chemistry processes is currently pressing the research world to find solutions suited for a direct use of inherently intermittent renewable energy sources. However, these solutions must be also energy efficient, due to the world-size magnitude of the production that has to be substituted in the near future. One of the top problems in this sense is the nitrogen fixation, responsible for at least 40% of world food production by the synthesis of fertilisers. Using air plasmas for this process is an old idea dating back to the first years of 1900, then rapidly substituted by other processes more economically but much less ecologically sustainable. Reaching a balance between these two aspects of a realistic sustainability using non-equilibrium plasmas is the present challenge. Chemical kinetics modelling including vibrational kinetics of heavy species is key in this sense, because it allows to experiment possible solutions in a much easier way than in the laboratory, provided the model is sufficiently complete and based on accurate input data, in order to smoothly reproduce the available experimental findings. The present paper is focussed on the state-of-the-art of some heavy-particle processes crucial in air plasmas in general and for nitrogen fixation in particular, including new specific rate coefficient data, on their comparisons with well-known data largely used in models and on their possible improvements in the near future.

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Section: Vibrationally Inelastic O + N 2 Collisionsmentioning

confidence: 99%

Section: Vibrationally Inelastic O + N 2 Collisionsmentioning

confidence: 99%

On the relevance of accurate input data for vibrational kinetics in air cold plasmas: the case of nitrogen fixation

Esposito

2022

Plasma Sources Sci. Technol.

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

Armenise

2023

Chemical Physics

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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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Heavy-particle elementary processes in hypersonic flows

Cited by 4 publications

References 0 publications

On the relevance of accurate input data for vibrational kinetics in air cold plasmas: the case of nitrogen fixation

On the relevance of accurate input data for vibrational kinetics in air cold plasmas: the case of nitrogen fixation

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

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

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