DSMC study of oxygen shockwaves based on high-fidelity vibrational relaxation and dissociation models

Borges Sebastião, Israel; Kulakhmetov, Marat; Alexeenko, Alina

doi:10.1063/1.4974056

DSMC study of oxygen shockwaves based on high-fidelity vibrational relaxation and dissociation models

Journal Article · Mon Jan 23 23:00:00 EST 2017 · Physics of Fluids

DOI:https://doi.org/10.1063/1.4974056· OSTI ID:1987969

Borges Sebastião, Israel; Kulakhmetov, Marat;

This work evaluates high-fidelity vibrational-translational (VT) energy relaxation and dissociation models for pure O2 normal shockwave simulations with the direct simulation Monte Carlo (DSMC) method. The O2–O collisions are described using ab initio state-specific relaxation and dissociation models. The Macheret-Fridman (MF) dissociation model is adapted to the DSMC framework by modifying the standard implementation of the total collision energy (TCE) model. The O2–O2 dissociation is modeled with this TCE+MF approach, which is calibrated with O2–O ab initio data and experimental equilibrium dissociation rates. The O2–O2 vibrational relaxation is modeled via the Larsen-Borgnakke model, calibrated to experimental VT rates. All the present results are compared to experimental data and previous calculations available in the literature. It is found that, in general, the ab initio dissociation model is better than the TCE model at matching the shock experiments. Therefore, when available, efficient ab initio models are preferred over phenomenological models. We also show that the proposed TCE + MF formulation can be used to improve the standard TCE model results when ab initio data are not available or limited.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

OSTI ID:: 1987969

Journal Information:: Physics of Fluids, Journal Name: Physics of Fluids Journal Issue: 1 Vol. 29; ISSN 1070-6631

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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