Microscopic simulation and macroscopic modeling for thermal and chemical non-equilibrium gases

Yen Liu, Marco Panesi, Marcel Vinokur, Peter Clarke

Research output: Contribution to conferencePaper

Abstract

This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. It eliminates limitations of the Landau-Teller model, and is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical two-temperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

Original languageEnglish (US)
StatePublished - Sep 11 2013
Event44th AIAA Thermophysics Conference - San Diego, CA, United States
Duration: Jun 24 2013Jun 27 2013

Other

Other44th AIAA Thermophysics Conference
CountryUnited States
CitySan Diego, CA
Period6/24/136/27/13

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ASJC Scopus subject areas

  • Aerospace Engineering
  • Mechanical Engineering
  • Condensed Matter Physics

Cite this

Liu, Y., Panesi, M., Vinokur, M., & Clarke, P. (2013). Microscopic simulation and macroscopic modeling for thermal and chemical non-equilibrium gases. Paper presented at 44th AIAA Thermophysics Conference, San Diego, CA, United States.