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

被引:4
|
作者
Armenise, Iole [1 ]
机构
[1] CNR, ISTP, Sede Secondaria Bari, Via Amendola 122-D, I-70126 Bari, Italy
关键词
State-to-state and state-selected NO vibrational; kinetics; N2; N; O2; O; NO mixture; O+N2(v) andN+O2(v) rate coefficients; interpolation; POTENTIAL-ENERGY SURFACES; THEORETICAL RATE CONSTANTS; NITRIC-OXIDE FORMATION; AB-INITIO; ATMOSPHERIC REACTION; DISSOCIATION PROCESSES; N(S-4)+O-2 REACTION; EXCITED MOLECULES; DYNAMICS; PLASMA;
D O I
10.1016/j.chemphys.2023.111937
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 numer-ical 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 con-ditions 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.
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页数:15
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