TY - JOUR
T1 - Consistent kinetic-continuum dissociation model. II. Continuum formulation and verification
AU - Singh, Narendra
AU - Schwartzentruber, Thomas
PY - 2020/6/14
Y1 - 2020/6/14
N2 - 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.
AB - 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.
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U2 - 10.1063/1.5142754
DO - 10.1063/1.5142754
M3 - Article
C2 - 32534530
AN - SCOPUS:85086621527
SN - 0021-9606
VL - 152
SP - 224303
JO - The Journal of chemical physics
JF - The Journal of chemical physics
IS - 22
ER -