Heat and mass transfer in reacting mixtures › Научные исследования в СПбГУ

Standard

Heat and mass transfer in reacting mixtures : Molecular dynamics and kinetic theory approaches. / Kustova, E.; Nabokova, M.; Kjelstrup, S.; Bedeaux, D.

30th International Symposium on Rarefied Gas Dynamics, RGD 2016. ред. / Henning Struchtrup; Andrew Ketsdever. American Institute of Physics, 2016. 070007 (AIP Conference Proceedings; Том 1786).

Результаты исследований: Публикации в книгах, отчётах, сборниках, трудах конференций › статья в сборнике материалов конференции › Рецензирование

Harvard

Kustova, E , Nabokova, M, Kjelstrup, S & Bedeaux, D 2016, Heat and mass transfer in reacting mixtures: Molecular dynamics and kinetic theory approaches. в H Struchtrup & A Ketsdever (ред.), 30th International Symposium on Rarefied Gas Dynamics, RGD 2016., 070007, AIP Conference Proceedings, Том. 1786, American Institute of Physics, 30th International Symposium on Rarefied Gas Dynamics, RGD 2016, Victoria, Канада, 10/07/16. https://doi.org/10.1063/1.4967583, https://doi.org/10.1063/1.4967583

APA

Kustova, E., Nabokova, M., Kjelstrup, S., & Bedeaux, D. (2016). Heat and mass transfer in reacting mixtures: Molecular dynamics and kinetic theory approaches. в H. Struchtrup, & A. Ketsdever (Ред.), 30th International Symposium on Rarefied Gas Dynamics, RGD 2016 [070007] (AIP Conference Proceedings; Том 1786). American Institute of Physics. https://doi.org/10.1063/1.4967583, https://doi.org/10.1063/1.4967583

Vancouver

Kustova E , Nabokova M, Kjelstrup S, Bedeaux D. Heat and mass transfer in reacting mixtures: Molecular dynamics and kinetic theory approaches. в Struchtrup H, Ketsdever A, Редакторы, 30th International Symposium on Rarefied Gas Dynamics, RGD 2016. American Institute of Physics. 2016. 070007. (AIP Conference Proceedings). https://doi.org/10.1063/1.4967583, https://doi.org/10.1063/1.4967583

Author

Kustova, E. ; Nabokova, M. ; Kjelstrup, S. ; Bedeaux, D. / Heat and mass transfer in reacting mixtures : Molecular dynamics and kinetic theory approaches. 30th International Symposium on Rarefied Gas Dynamics, RGD 2016. Редактор / Henning Struchtrup ; Andrew Ketsdever. American Institute of Physics, 2016. (AIP Conference Proceedings).

BibTeX

@inproceedings{c4bfa0dabc7a4e478b7a1e1f1d0245df,

title = "Heat and mass transfer in reacting mixtures: Molecular dynamics and kinetic theory approaches",

abstract = "Transport properties of a binary H2-H mixture with strongly-non-equilibrium dissociation reaction are studied on the basis of two approaches: kinetic theory and molecular dynamics. The gas in the thermostat under the action of temperature gradient is considered. Mass diffusive and measurable heat flux are obtained in the non-equilibrium molecular dynamics simulations; the transport coefficients are extracted from the fluxes using the constitutive equations given by irreversible thermodynamics. For the same conditions, the transport coefficients and the corresponding fluxes are calculated using the modified Chapman-Enskog method for the rarefied flows with non-equilibrium chemical reactions. While the qualitative agreement between the results obtained using the two approaches is found, quantitative differences are however noticeable. The discrepancy in the heat conductivity coefficient is not large but is significant for diffusion coefficients. Possible sources of discrepancies are discussed.",

author = "E. Kustova and M. Nabokova and S. Kjelstrup and D. Bedeaux",

year = "2016",

month = nov,

day = "15",

doi = "10.1063/1.4967583",

language = "English",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics",

editor = "Henning Struchtrup and Andrew Ketsdever",

booktitle = "30th International Symposium on Rarefied Gas Dynamics, RGD 2016",

address = "United States",

}

RIS

TY - GEN

T1 - Heat and mass transfer in reacting mixtures

T2 - 30th International Symposium on Rarefied Gas Dynamics, RGD 2016

AU - Kustova, E.

AU - Nabokova, M.

AU - Kjelstrup, S.

AU - Bedeaux, D.

PY - 2016/11/15

Y1 - 2016/11/15

N2 - Transport properties of a binary H2-H mixture with strongly-non-equilibrium dissociation reaction are studied on the basis of two approaches: kinetic theory and molecular dynamics. The gas in the thermostat under the action of temperature gradient is considered. Mass diffusive and measurable heat flux are obtained in the non-equilibrium molecular dynamics simulations; the transport coefficients are extracted from the fluxes using the constitutive equations given by irreversible thermodynamics. For the same conditions, the transport coefficients and the corresponding fluxes are calculated using the modified Chapman-Enskog method for the rarefied flows with non-equilibrium chemical reactions. While the qualitative agreement between the results obtained using the two approaches is found, quantitative differences are however noticeable. The discrepancy in the heat conductivity coefficient is not large but is significant for diffusion coefficients. Possible sources of discrepancies are discussed.

AB - Transport properties of a binary H2-H mixture with strongly-non-equilibrium dissociation reaction are studied on the basis of two approaches: kinetic theory and molecular dynamics. The gas in the thermostat under the action of temperature gradient is considered. Mass diffusive and measurable heat flux are obtained in the non-equilibrium molecular dynamics simulations; the transport coefficients are extracted from the fluxes using the constitutive equations given by irreversible thermodynamics. For the same conditions, the transport coefficients and the corresponding fluxes are calculated using the modified Chapman-Enskog method for the rarefied flows with non-equilibrium chemical reactions. While the qualitative agreement between the results obtained using the two approaches is found, quantitative differences are however noticeable. The discrepancy in the heat conductivity coefficient is not large but is significant for diffusion coefficients. Possible sources of discrepancies are discussed.

UR - http://www.scopus.com/inward/record.url?scp=85008946329&partnerID=8YFLogxK

U2 - 10.1063/1.4967583

DO - 10.1063/1.4967583

M3 - Conference contribution

T3 - AIP Conference Proceedings

BT - 30th International Symposium on Rarefied Gas Dynamics, RGD 2016

A2 - Struchtrup, Henning

A2 - Ketsdever, Andrew

PB - American Institute of Physics

Y2 - 10 July 2016 through 15 July 2016

ER -

ID: 74713068