Research output: Contribution to journal › Conference article › peer-review
Generalized model for state-resolved chemical reaction rate coefficients in high-temperature air. / Кустова, Елена Владимировна; Савельев, Алексей Сергеевич.
In: Journal of Physics: Conference Series, Vol. 1959, No. 1, 012033, 14.07.2021.Research output: Contribution to journal › Conference article › peer-review
}
TY - JOUR
T1 - Generalized model for state-resolved chemical reaction rate coefficients in high-temperature air
AU - Кустова, Елена Владимировна
AU - Савельев, Алексей Сергеевич
N1 - Conference code: IX
PY - 2021/7/14
Y1 - 2021/7/14
N2 - In the present study, we propose a general model for state-resolved reactionrate 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 ve-component air is obtained by fitting the results of the most reliable quasi-classical trajectory simulations in the temperaturerange 2000-15000 K.
AB - In the present study, we propose a general model for state-resolved reactionrate 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 ve-component air is obtained by fitting the results of the most reliable quasi-classical trajectory simulations in the temperaturerange 2000-15000 K.
UR - http://www.scopus.com/inward/record.url?scp=85111975868&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/43381187-7042-36fc-8e35-1fadbb21cecd/
U2 - 10.1088/1742-6596/1959/1/012033
DO - 10.1088/1742-6596/1959/1/012033
M3 - Conference article
VL - 1959
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
SN - 1742-6588
IS - 1
M1 - 012033
Y2 - 9 March 2021 through 12 March 2021
ER -
ID: 78867463