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Comparison of direct simulation Monte Carlo chemistry and vibrational models applied to oxygen shock measurements

机译:直接模拟蒙特卡洛化学和振动模型应用于氧气冲击测量的比较

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摘要

Validation of three direct simulation Monte Carlo chemistry models—total collision energy, Quantum Kinetic, and Kuznetsov state specific (KSS)—is conducted through the comparison of calculated vibrational temperatures of molecular oxygen with measured values inside a normal shock wave. First, the 2D geometry and numerical approach used to simulate the shock experiments is verified. Next, two different vibrational relaxation models are validated by comparison with data for the M = 9.3 case where dissociation is small in the nonequilibrium region of the shock and with newly obtained thermal rates. Finally, the three chemistrymodel results are compared for M = 9.3 and 13.4 in the region where the vibrational temperature is greatly different from the rotational and translational temperature, and thus nonequilibrium dissociation is important. It is shown that the peak vibrational temperature is very sensitive to the initial nonequilibrium rate of reaction in the chemistry model and that the vibrationally favored KSS model is much closer to the measured peak, but the post-peak behavior indicates that some details of the model still need improvement.
机译:通过将计算出的分子氧的振动温度与正常冲击波内的测量值进行比较,对三个直接模拟的蒙特卡洛化学模型(总碰撞能量,量子动力学和库兹涅佐夫态特定(KSS))进行了验证。首先,验证了用于模拟冲击实验的二维几何和数值方法。接下来,通过与M = 9.3情况下的数据进行比较,验证了两个不同的振动松弛模型,其中在冲击的非平衡区域中解离很小,并且具有新获得的热速率。最后,在振动温度与旋转和平移温度差异很大的区域中,比较了三个化学模型的结果,M = 9.3和13.4,因此非平衡解离很重要。结果表明,在化学模型中,峰值振动温度对反应的初始非平衡速率非常敏感,受振动影响的KSS模型与测得的峰更接近,但峰后行为表明该模型的某些细节仍然需要改进。

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