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Master Equation Study of Vibrational and Rotational Relaxation of Oxygen

机译:氧气振动和旋转弛豫的主方程研究

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A complete set of state-to-state transition cross sections for O_2-O is generated by the quasi-classical trajectory method on an accurate three-body potential energy surface. Transition rates obtained by integrating the cross section data are employed in the system of master equations to study trans-rotational and trans-vibrational energy exchanges in a wide range of heat bath conditions. The energy-equivalent definition of temperature is adopted to obtain characteristic relaxation times. It is shown that the vibrational relaxation becomes less efficient at high temperatures, in contrast with the conventional equation for relaxation time, proposed by Millikan and White. Rotational and vibrational relaxation times are the same order of magnitude in the range of temperatures observed in hypersonic flows.
机译:通过准经典轨迹法在精确的三体势能面上生成O_2-O的状态到状态的过渡截面的​​完整集合。通过将横截面数据积分而获得的跃迁速率被用于主方程组中,以研究在宽范围的热浴条件下的横向旋转和横向振动能量交换。采用温度的能量等效定义来获得特征弛豫时间。结果表明,与Millikan和White提出的传统弛豫时间方程相比,振动弛豫在高温下效率降低。在高超音速流中观察到的温度范围内,旋转和振动弛豫时间是相同数量级的。

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