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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.

Язык оригиналаанглийский
Название основной публикации30th International Symposium on Rarefied Gas Dynamics, RGD 2016
РедакторыHenning Struchtrup, Andrew Ketsdever
ИздательAmerican Institute of Physics
ISBN (электронное издание)9780735414488
DOI
СостояниеОпубликовано - 15 ноя 2016
Событие30th International Symposium on Rarefied Gas Dynamics, RGD 2016 - Victoria, Канада
Продолжительность: 10 июл 201615 июл 2016

Серия публикаций

НазваниеAIP Conference Proceedings
Том1786
ISSN (печатное издание)0094-243X
ISSN (электронное издание)1551-7616

конференция

конференция30th International Symposium on Rarefied Gas Dynamics, RGD 2016
Страна/TерриторияКанада
ГородVictoria
Период10/07/1615/07/16

    Предметные области Scopus

  • Физика и астрономия (все)

ID: 74713068