Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
New multi-temperature reaction models for CO2 containing mixtures and their applications. / Kosareva, A.; Nagnibeda, E.; Savelev, A.
в: Chemical Physics, Том 533, 110718, 01.05.2020.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - New multi-temperature reaction models for CO2 containing mixtures and their applications
AU - Kosareva, A.
AU - Nagnibeda, E.
AU - Savelev, A.
PY - 2020/5/1
Y1 - 2020/5/1
N2 - In this paper new multi-temperature models for rate coefficients of non-equilibrium chemical reactions in mixtures containing CO2 molecules are derived on the basis of the kinetic theory. The models are obtained by averaging of state-dependent reaction rate coefficients, found previously, over multi-temperature vibrational distributions. Five-temperature, three-temperature and two-temperature non-equilibrium distributions are considered and comparison of reaction rate coefficients derived using these distributions as well as the thermal equilibrium one-temperature model is presented. The proposed rate coefficients are used in the governing equations for vibrational and chemical relaxation in the five-component mixture CO2/CO/O2/C/O. The solution of these equations is obtained in the five-temperature, three-temperature, two-temperature and one-temperature approaches. Finally, the influence of chemical reaction models on macroscopic mixture parameters is discussed in the paper.
AB - In this paper new multi-temperature models for rate coefficients of non-equilibrium chemical reactions in mixtures containing CO2 molecules are derived on the basis of the kinetic theory. The models are obtained by averaging of state-dependent reaction rate coefficients, found previously, over multi-temperature vibrational distributions. Five-temperature, three-temperature and two-temperature non-equilibrium distributions are considered and comparison of reaction rate coefficients derived using these distributions as well as the thermal equilibrium one-temperature model is presented. The proposed rate coefficients are used in the governing equations for vibrational and chemical relaxation in the five-component mixture CO2/CO/O2/C/O. The solution of these equations is obtained in the five-temperature, three-temperature, two-temperature and one-temperature approaches. Finally, the influence of chemical reaction models on macroscopic mixture parameters is discussed in the paper.
KW - Thermochemical non-equilibrium
KW - Chemical reactions
KW - Carbon dioxide
KW - Thermochemical non-equilibrium
KW - Chemical reactions
KW - Carbon dioxide
UR - http://www.scopus.com/inward/record.url?scp=85079876193&partnerID=8YFLogxK
U2 - https://doi.org/10.1016/j.chemphys.2020.110718
DO - https://doi.org/10.1016/j.chemphys.2020.110718
M3 - Article
VL - 533
JO - Chemical Physics
JF - Chemical Physics
SN - 0301-0104
M1 - 110718
ER -
ID: 51826022