Open AccessGeneralized model for state-resolved chemical reaction rate coefficients in high-temperature air
Author(s) -
Е. В. Кустова,
Aleksei Savelev
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1959/1/012033
Subject(s) - dissociation (chemistry) , thermodynamics , chemical reaction , atmospheric temperature range , excitation , vibrational energy relaxation , reaction rate , range (aeronautics) , chemistry , chemical kinetics , trajectory , atomic physics , statistical physics , materials science , physics , molecule , kinetics , classical mechanics , quantum mechanics , organic chemistry , composite material , catalysis
In the present study, we propose a general model for state-resolved reaction rate coefficients. The model combines the main advantages of several theoretical models for preferential dissociation and exchange reactions coupled to vibrational relaxation. Vibrational and electronic excitation of all species participating in the reaction is taken into account. The complete set of parameters for state-resolved chemical reactions in five-component air is obtained by fitting the results of the most reliable quasi-classical trajectory simulations in the temperature range 2000–15000 K.