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

被引：34

作者：

Armenise, I. ^{[1
]}

Esposito, F. ^{[1
]}

机构：

[1] CNR, Ist Metodol Inorgan & Plasmi, I-70126 Bari, Italy

来源：

CHEMICAL PHYSICS | 2015年 / 446卷

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

页码：30 / 46

页数：17