N2, O2, NO state-to-state vibrational kinetics in hypersonic boundary layers: The problem of rescaling rate coefficients to uniform vibrational ladders

被引:29
|
作者
Armenise, I. [1 ]
Esposito, F. [1 ]
机构
[1] CNR, Ist Metodol Inorgan & Plasmi, I-70126 Bari, Italy
关键词
State-to-state vibrational kinetics; N-2/N/O-2/O/NO mixture; Rate coefficients rescaling; Hypersonic boundary layers; POTENTIAL-ENERGY SURFACES; DISSOCIATION-RECOMBINATION MODELS; CLASSICAL TRAJECTORY CALCULATIONS; THEORETICAL RATE CONSTANTS; WAVE-PACKET DYNAMICS; AB-INITIO; ATMOSPHERIC REACTION; N(S-4)+O-2 REACTION; CROSS-SECTIONS; (1)SIGMA(+)(G))+O(P-3) REACTION;
D O I
10.1016/j.chemphys.2014.11.004
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
The NO formation in a hypersonic boundary layer is investigated by solving a numerical code that couples fluid dynamics and state-to-state vibrational kinetics. An N-2/N/O-2/O/NO mixture is considered to simulate the space vehicle Earth re-entry problem. Two new sets of state-to-state rate coefficients of the processes O + N-2(v) <-> NO(w) + N and N + O-2(v) <-> NO(w) + O are used, calculated in our research group by means of a molecular dynamics approach. Particular attention is payed to rescale the rates of different kinetic processes in order to have a unique vibrational scale for each molecular species (N-2, O-2, NO). This is not obvious because vibrational levels, obtained from asymptotics of three-body potential of different collisional systems, often do not match, particularly for high-lying vibrational states. The reactions involving NO affect the mass fractions, the molecular vibrational distributions and the heat flux in the boundary layer. (C) 2014 Elsevier B.V. All rights reserved.
引用
收藏
页码:30 / 46
页数:17
相关论文
共 50 条
  • [1] Low temperature state-to-state vibrational kinetics of O + N2(v) and N + O2(v) collisions (vol 571, 111937, 2023)
    Armenise, I.
    CHEMICAL PHYSICS, 2024, 576
  • [2] State-to-State Vibrational Energy Transfer in OH A2Σ+ with N2
    Sechler, Timothy D.
    Dempsey, Logan P.
    Lester, Marsha I.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (31): : 8845 - 8851
  • [3] On the Relation between Population Kinetics and State-to-State Rate Coefficients for Vibrational Energy Transfer
    Dashevskaya, Elena I.
    Litvin, Ilya
    Nikitin, Evgeny E.
    ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 2015, 229 (10-12): : 1561 - 1574
  • [4] Low temperature state-to-state vibrational kinetics of O+N2(v) and N+O2(v) collisions
    Armenise, Iole
    CHEMICAL PHYSICS, 2023, 571
  • [5] N + O2(v) collisions: reactive, inelastic and dissociation rates for state-to-state vibrational kinetic models
    Armenise, I
    Esposito, F.
    CHEMICAL PHYSICS, 2021, 551
  • [6] VIBRATIONAL STATE-TO-STATE CALCULATIONS OF H+ + O2 CHARGE-TRANSFER COLLISIONS
    SIZUN, M
    GRIMBERT, D
    SIDIS, V
    BAER, M
    JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (01): : 307 - 325
  • [7] Rate coefficients for resonant vibrational excitation of N2
    Ristic, M.
    Poparic, G. B.
    Belic, D. S.
    CHEMICAL PHYSICS, 2007, 331 (2-3) : 410 - 416
  • [8] Quantum-classical rate coefficients for O2 + N2 inelastic collisions with very high vibrational levels
    Yang, Jiawei
    Hong, Qizhen
    Bartolomei, Massimiliano
    Pirani, Fernando
    Coletti, Cecilia
    Sun, Quanhua
    Li, Jun
    PHYSICAL REVIEW A, 2025, 111 (03)
  • [9] Two-modes approach to the state-to-state vibrational kinetics of CO2
    Kotov, Vladislav
    Kotov, Vladislav (v.kotov@fz-juelich.de), 1600, Institute of Physics Publishing (53):
  • [10] Optimization of CO2Vibrational Kinetics Modeling in the Full State-to-State Approach
    Gorikhovskii, V. I.
    Nagnibeda, E. A.
    VESTNIK ST PETERSBURG UNIVERSITY-MATHEMATICS, 2020, 53 (03) : 358 - 365