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Several state-resolved and two-temperature models for the rate coefficients of reaction CO+CO=CO2+C are assessed, and a new simple state dependent model is proposed. Various models for the two-temperature non-equilibrium factor are considered: the theoretical alpha-model and the models based on averaging the state-resolved rate coefficients over the Boltzmann distribution. It is shown that for the Starik model, taking into account vibrational excitation of the partner CO molecule as well as the reaction product does not affect the two-temperature reaction rate coefficients. If the vibrational excitation of only one CO molecule is taken into account, the Starik model and that proposed in this work with the parameter U = ∞ yield identical results. However, our model is more general since it is capable to account for the preferential reaction mechanism from high vibrational states. Two-temperature rate coefficients provided by the a-model agree well with the averaged state-to-state ones, but the parameter α cannot be fixed in the entire temperature range and has to be chosen according to the specific ratio T/Tv. Thus, our computationally efficient state-specific model is recommended for state-to-state flow simulations; when being averaged with different non-equilibrium vibrational distributions, it can be used for modeling two-temperature flows.

Original languageEnglish
Number of pages8
JournalIOP Conference Series: Materials Science and Engineering
DOIs
StatePublished - 25 Sep 2020
EventXIII International Conference on Applied Mathematics and Mechanics in the Aerospace Industry - Alushta, Russian Federation
Duration: 6 Sep 202013 Sep 2020

    Scopus subject areas

  • Materials Science(all)
  • Engineering(all)

ID: 76122965