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On the applicability of simplified state-to-state models of transport coefficients. / Kustova, E.; Mekhonoshina, M.; Oblapenko, G.

в: Chemical Physics Letters, Том 686, 2017, стр. 161-166.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Kustova, E, Mekhonoshina, M & Oblapenko, G 2017, 'On the applicability of simplified state-to-state models of transport coefficients', Chemical Physics Letters, Том. 686, стр. 161-166. https://doi.org/10.1016/j.cplett.2017.08.041

APA

Kustova, E., Mekhonoshina, M., & Oblapenko, G. (2017). On the applicability of simplified state-to-state models of transport coefficients. Chemical Physics Letters, 686, 161-166. https://doi.org/10.1016/j.cplett.2017.08.041

Vancouver

Kustova E, Mekhonoshina M, Oblapenko G. On the applicability of simplified state-to-state models of transport coefficients. Chemical Physics Letters. 2017;686:161-166. https://doi.org/10.1016/j.cplett.2017.08.041

Author

Kustova, E. ; Mekhonoshina, M. ; Oblapenko, G. / On the applicability of simplified state-to-state models of transport coefficients. в: Chemical Physics Letters. 2017 ; Том 686. стр. 161-166.

BibTeX

@article{874b0434554a4473a43426567b000f4e,
title = "On the applicability of simplified state-to-state models of transport coefficients",
abstract = "Thermal conductivity and bulk viscosity coefficients are studied in the state-to-state approximation to assess the importance of accounting for rovibrational coupling and increasing diameters of vibrationally excited molecules. Transport coefficients are computed in binary mixtures for a wide temperature range, and compared to those obtained for the rigid rotator model. It is shown that accounting for rovibrational coupling leads to a twofold decrease in the bulk viscosity coefficient and a 5–7% decrease in the thermal conductivity coefficient; accounting for variable diameters has no effect on the bulk viscosity, but leads to a larger decrease in the thermal conductivity.",
keywords = "Bulk viscosity, State-specific, Thermal conductivity",
author = "E. Kustova and M. Mekhonoshina and G. Oblapenko",
year = "2017",
doi = "10.1016/j.cplett.2017.08.041",
language = "English",
volume = "686",
pages = "161--166",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - On the applicability of simplified state-to-state models of transport coefficients

AU - Kustova, E.

AU - Mekhonoshina, M.

AU - Oblapenko, G.

PY - 2017

Y1 - 2017

N2 - Thermal conductivity and bulk viscosity coefficients are studied in the state-to-state approximation to assess the importance of accounting for rovibrational coupling and increasing diameters of vibrationally excited molecules. Transport coefficients are computed in binary mixtures for a wide temperature range, and compared to those obtained for the rigid rotator model. It is shown that accounting for rovibrational coupling leads to a twofold decrease in the bulk viscosity coefficient and a 5–7% decrease in the thermal conductivity coefficient; accounting for variable diameters has no effect on the bulk viscosity, but leads to a larger decrease in the thermal conductivity.

AB - Thermal conductivity and bulk viscosity coefficients are studied in the state-to-state approximation to assess the importance of accounting for rovibrational coupling and increasing diameters of vibrationally excited molecules. Transport coefficients are computed in binary mixtures for a wide temperature range, and compared to those obtained for the rigid rotator model. It is shown that accounting for rovibrational coupling leads to a twofold decrease in the bulk viscosity coefficient and a 5–7% decrease in the thermal conductivity coefficient; accounting for variable diameters has no effect on the bulk viscosity, but leads to a larger decrease in the thermal conductivity.

KW - Bulk viscosity

KW - State-specific

KW - Thermal conductivity

UR - http://www.scopus.com/inward/record.url?scp=85028761598&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2017.08.041

DO - 10.1016/j.cplett.2017.08.041

M3 - Article

AN - SCOPUS:85028761598

VL - 686

SP - 161

EP - 166

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

ER -

ID: 9310244