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Modeling rarefied gas chemistry with QuiPS, a novel quasi-particle method

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Abstract

The goal of this work is to build up the capability of quasi-particle simulation (QuiPS), a novel flow solver, such that it can adequately model the rarefied portion of an atmospheric reentry trajectory. Direct simulation Monte Carlo (DSMC) is the conventional solver for such conditions, but struggles to resolve transient flows, trace species, and high-level internal energy states due to stochastic noise. Quasi-particle simulation (QuiPS) is a novel Boltzmann solver that describes a system with a discretized, truncated velocity distribution function. The resulting fixed-velocity, variable weight quasi-particles enable smooth variation of macroscopic properties. The distribution function description enables the use of a variance-reduced collision model, greatly minimizing expense near equilibrium. This work presents the addition of a neutral air chemistry model to QuiPS and some demonstrative 0D simulations. The explicit representation of internal distributions in QuiPS reveals some of the flaws in existing physics models. Variance reduction, a key feature of QuiPS, can greatly reduce expense of multi-dimensional calculations, but is only cheaper when the gas composition is near chemical equilibrium.

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Authors and Affiliations

  1. Department of Aerospace Engineering & Engineering Mechanics, The University of Texas at Austin, Aerospace Engineering (ASE) Building 2617 Wichita Street, Texas, C0600, USA

    Yasvanth Poondla, David Goldstein, Philip Varghese, Peter Clarke & Christopher Moore

  2. Sandia National Laboratories, Albuquerque, NM, USA

    Christopher Moore

Authors
  1. Yasvanth Poondla
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  2. David Goldstein
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  3. Philip Varghese
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  4. Peter Clarke
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  5. Christopher Moore
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Correspondence to Yasvanth Poondla.

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Data Availability Statement

The datasets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request.

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Communicated by Vassilios Theofilis.

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This work supported by NASA Space Technology Research Fellowship Grant # NNX16AM87H. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

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Poondla, Y., Goldstein, D., Varghese, P. et al. Modeling rarefied gas chemistry with QuiPS, a novel quasi-particle method. Theor. Comput. Fluid Dyn. 36, 81–116 (2022). https://doi.org/10.1007/s00162-021-00598-4

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