Low-energy electron impact dissociative recombination and vibrational transitions of N2+

Abdoulanziz, A.; Argentin, Clément; Laporta, V.; Chakrabarti, Kalyan; Bultel, Arnaud; Tennyson, Jonathan; Schneider, I. F.; Mezei, J. Zs.

doi:10.1063/5.0038609

Cited by 17 publications

(21 citation statements)

References 43 publications

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“…The backward rates for 10, 11 are found using BOLSIG+ [19,21]. The backward rates for reaction 12 is found using BOLSIG+ [19,22]. The backward rates for 26-30 are taken from [23].…”

Section: Physical Modelmentioning

confidence: 99%

“…[20]; (iii) the dissociative recombination rates are obtained from BOLSIG+ with the cross-sectional data obtained from Refs. [21] and [22]. The complete list of reactions making up the adjusted Dunn-Kang model is outlined in Table 1.…”

Section: Physical Modelmentioning

confidence: 99%

“…Such is based on the so-called Park model outlined in the previous paragraph but with several modifications to the rates of the reactions that involve electrons: (i) the dissociative recombination reactions are found using BOLSIG+ [19] with the cross sections taken from Refs. [21] and [22]; (ii) the three-body recombination reaction rates are taken from Dunn-Kang [23]; (iii) the electron impact ionization reactions are found using BOLSIG+ with the cross sections taken from [20]. Also, we make a modification to the Park controlling temperatures.…”

Section: Physical Modelmentioning

confidence: 99%

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Electron Losses in Hypersonic Flows

Parent,

Rajendran,

Omprakas

2021

Preprint

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The first comprehensive study of electron gains and losses in hypersonic air flows including the full coupling between the non-neutral plasma sheaths and the quasi-neutral plasma flow is here presented. Such is made possible by the use of advanced numerical methods that overcome the stiffness associated with the plasma sheaths. The coupling between the sheaths, the electron temperature in non-equilibrium, and the ambipolar diffusion within the quasi-neutral plasma flow is found to be critical to predict accurately electron losses and, thus, plasma density around hypersonic vehicles. This is because electron cooling coming from the non-neutral sheaths affects significantly electron temperature everywhere in the plasma and, therefore, the electron-temperature-dependent loss processes of ambipolar diffusion and dissociative recombination. Results obtained show that electron loss to the surface due to catalyticity dominates over electron loss within the plasma due to dissociative recombination either (i) at high altitude where the dynamic pressure is low, or (ii) at low Mach number, or (iii) when the vehicle has a sharp leading edge.

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“…The backward rates for 10, 11 are found using BOLSIG+ [19,21]. The backward rates for reaction 12 is found using BOLSIG+ [19,22]. The backward rates for 26-30 are taken from [23].…”

Section: Physical Modelmentioning

confidence: 99%

Section: Physical Modelmentioning

confidence: 99%

Section: Physical Modelmentioning

confidence: 99%

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Electron Losses in Hypersonic Flows

Parent,

Rajendran,

Omprakas

2021

Preprint

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“…In this respect, various groups have been studying the electron impact inelastic processes viz. ionization, dissociation, recombination, rotational and vibrational excitation in the low incident electron energies [10,17,28,29]. There is not much attention paid on the elastic scattering of electrons from molecular ions.…”

Section: Introductionmentioning

confidence: 99%

Study of electron scattering from $${{\mathrm {CH}}}_{{4}}^{+}$$, $${{\mathrm {NH}}}_{{3}}^{+}$$, $${\mathrm {H}}_{{2}}{\mathrm {O}}^{+}$$, $${{\mathrm {NH}}}_{{4}}^{+}$$ and $${\mathrm {H}}_{{3}}{\mathrm {O}}^{+}$$ molecular ions with an analytic static potential approach

2021

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A detailed study on electron impact elastic scattering from CH + 4 , NH + 3 , H2O + , NH + 4 and H3O + molecular ions is reported for the first time by using an optical model potential method. The static potential of each ion is obtained analytically by representing the molecular ion with Gaussian orbital wave functions. Exchange and polarization potentials are added with the static potential to form an optical model potential. Utilizing this optical model potential, the Dirac equations are solved with the partial wave phase shift analysis method to obtain the scattering amplitudes. The differential cross section results are reported for 10-500 eV incident electron energy range. These results for the different molecular ions are compared with their corresponding neutral molecules.

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“…Assim sendo, compostos formados por átomos de lítio (Li), nitrogênio (N), oxigênio (O) e enxofre (S) foram escolhidos. Por sua vez, sistemas moleculares formados com ao menos um destes átomos são conhecidos por desempenharem papel importante em diferentes campos, como: astroquímica [7][8][9][10], combustão [11], plasma [12,13], espectroscopia [14][15][16][17][18], dinâmica molecular [19][20][21] e novas formas de energia limpa, caso das baterias de lítio-enxofre [22][23][24]. Todas essas aplicações tornam o prévio conhecimento de propriedades físico-químicas destas espécies um assunto atraente tanto para experimentalistas quanto para os teóricos.…”

Section: Seleção Dos Sistemas Molecularesunclassified

Estrutura eletrônica, espectroscopia e dinâmica quase-clássica de sistemas moleculares: um estudo teórico

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Neste trabalho, cálculos de estrutura eletrônica foram realizados visando investigar espécies formadas de [Li,N,O,S]. Através deste estudo, foi possível identificar que o acoplamento spin-órbita possui papel fundamental nos espectros moleculares dos diátomos N2, NO e LiO. Em particular, usamos os resultados obtidos para o radical NO a fim de examinar a técnica de aprisionamento por spin. Esta técnica tem por finalidade detectar radicais livres com de curtos tempos de vida em sistemas biológicos. Uma proposta de construção de superfície de energia potencial para a espécie LiS2 é discutida utilizando como base os resultados para a diatômica LiS. Para o N2, nossas predições indicam um novo sistema de bandas nunca antes observado. Além do mais, considerando a metodologia das trajetórias quase-clássicas, analisou-se a formação do mínimo de Van der Waals ArSO2 gerado a partir de colisões entre o átomo de argônio e o dióxido de enxofre.

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Low-energy electron impact dissociative recombination and vibrational transitions of N2+

Abstract: Cross sections and thermal rate coefficients are computed for electron-impact dissociative recombination and vibrational excitation/de-excitation of the N + 2 molecular ion in its lowest six vibrational levels, for collision energies/temperatures up to 2.3 eV/5000 K.

Cited by 17 publications

References 43 publications

Electron Losses in Hypersonic Flows

Electron Losses in Hypersonic Flows

Study of electron scattering from $${{\mathrm {CH}}}_{{4}}^{+}$$, $${{\mathrm {NH}}}_{{3}}^{+}$$, $${\mathrm {H}}_{{2}}{\mathrm {O}}^{+}$$, $${{\mathrm {NH}}}_{{4}}^{+}$$ and $${\mathrm {H}}_{{3}}{\mathrm {O}}^{+}$$ molecular ions with an analytic static potential approach

Estrutura eletrônica, espectroscopia e dinâmica quase-clássica de sistemas moleculares: um estudo teórico

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