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

机译：基于高保真振动松弛和解离模型的氧气冲击波DSMC研究

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This work evaluates high-fidelity vibrational-translational (VT) energy relaxation and dissociation models for pure O-2 normal shockwave simulations with the direct simulation Monte Carlo (DSMC) method. The O-2-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 O-2-O-2 dissociation is modeled with this TCE+MF approach, which is calibrated with O-2-O ab initio data and experimental equilibrium dissociation rates. The O-2-O-2 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. Published by AIP Publishing.
机译：这项工作评估了具有直接仿真蒙特卡罗（DSMC）方法的纯O-2正常冲击波模拟的高保真振动转换（VT）能量松弛和解离模型。使用AB Initio特定的弛豫和解离模型来描述O-2-O碰撞。 Macheret-Fridman（MF）解离模型通过修改总碰撞能量（TCE）模型的标准实现来适应DSMC框架。 O-2-O-2离解采用该TCE + MF方法，用O-2-O AB Initio数据和实验性平衡解离率进行校准。 O-2-O-2振动松弛通过Larsen-Borgnakke模型进行建模，校准到实验VT速率。将所有现有结果与文献中可用的实验数据和先前的计算进行比较。结果发现，通常，AB Initio解离模型优于匹配冲击实验时的TCE模型。因此，当可用时，高效的AB Initio模型在现象学模型中是优选的。我们还表明，当AB Initio数据不可用或有限时，所提出的TCE + MF配方可用于改善标准TCE模型结果。通过AIP发布发布。

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