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New multi-temperature reaction models for CO2 containing mixtures and their applications. / Kosareva, A.; Nagnibeda, E.; Savelev, A.

In: Chemical Physics, Vol. 533, 110718, 01.05.2020.

Research output: Contribution to journal › Article › peer-review

Harvard

Kosareva, A, Nagnibeda, E & Savelev, A 2020, 'New multi-temperature reaction models for CO2 containing mixtures and their applications', Chemical Physics, vol. 533, 110718. https://doi.org/10.1016/j.chemphys.2020.110718

APA

Kosareva, A., Nagnibeda, E., & Savelev, A. (2020). New multi-temperature reaction models for CO2 containing mixtures and their applications. Chemical Physics, 533, [110718]. https://doi.org/10.1016/j.chemphys.2020.110718

Vancouver

Kosareva A, Nagnibeda E, Savelev A. New multi-temperature reaction models for CO2 containing mixtures and their applications. Chemical Physics. 2020 May 1;533. 110718. https://doi.org/10.1016/j.chemphys.2020.110718

Author

Kosareva, A. ; Nagnibeda, E. ; Savelev, A. / New multi-temperature reaction models for CO2 containing mixtures and their applications. In: Chemical Physics. 2020 ; Vol. 533.

BibTeX

@article{5cf69256925c4eceaa84992c1a2bf708,
title = "New multi-temperature reaction models for CO2 containing mixtures and their applications",
abstract = "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.",
keywords = "Thermochemical non-equilibrium, Chemical reactions, Carbon dioxide, Thermochemical non-equilibrium, Chemical reactions, Carbon dioxide",
author = "A. Kosareva and E. Nagnibeda and A. Savelev",
year = "2020",
month = may,
day = "1",
doi = "https://doi.org/10.1016/j.chemphys.2020.110718",
language = "English",
volume = "533",
journal = "Chemical Physics",
issn = "0301-0104",
publisher = "Elsevier",

}

RIS

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