Consistent kinetic-continuum dissociation model. II. Continuum formulation and verification

The Journal of Chemical Physics
Narendra Singh, Thomas E Schwartzentruber

Abstract

In this article, we implement a recently developed non-equilibrium chemical kinetics model [N. Singh and T. Schwartzentruber, J. Chem. Phys. 152, 224302 (2020)] based on ab initio simulation data and perform verification studies. Direct molecular simulation data are used to verify the predictive capabilities of the model. Using the model, dominant physics, such as the need for a rotational energy equation, and the quantitative role of non-Boltzmann effects are identified. Based on the analysis and reasonable assumptions, a simplified model for implementation into large-scale computational fluid dynamic simulations is proposed. Without incurring additional computational cost, the model can be used in existing flow solvers to analyze hypersonic flows.

References

Aug 2, 2013·The Journal of Chemical Physics·Yuliya PaukkuDonald G Truhlar
Aug 15, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·M PanesiR L Jaffe
Dec 20, 2017·Proceedings of the National Academy of Sciences of the United States of America·Narendra Singh, Thomas Schwartzentruber
Mar 3, 2018·The Journal of Chemical Physics·Daniil A Andrienko, Iain D Boyd

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Citations

Jun 15, 2020·The Journal of Chemical Physics·Narendra Singh, Thomas Schwartzentruber
Nov 15, 2020·The Journal of Chemical Physics·E Geistfeld, T E Schwartzentruber
Jul 28, 2021··Alessandro MunafòMaitreyee Sharma Priyadarshini

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