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How much does thermal nonequilibrium influence the overall atomic recombination during de-excitation?
Chemical Physics ( IF 2.3 ) Pub Date : 2024-02-06 , DOI: 10.1016/j.chemphys.2024.112220
Sangdi Gu , Jiaao Hao , Chih-Yung Wen , Qizhen Hong , Qiu Wang

A parametric study is carried out via state-to-state constant-volume heat bath simulations for binary mixtures of / and / to identify nonequilibrium de-excitation conditions where the overall atomic recombination is influenced by thermal nonequilibrium and where it is not. The most important parameter is found to be the translational temperature at which the de-excitation occurs. A low translational temperature of around 500 K is found to prevent the overall atomic recombination process from being influenced by the thermal nonequilibrium, due to the small value of making the dissociation reaction less important. At a higher translational temperature of 2000 K, the overall atomic recombination process is influenced by the thermal nonequilibrium to an extent that is comparable to that seen in the corresponding excitation conditions, due to the nonequilibrium-accelerated dissociation rate. The current results have important implications in reduced-order modelling and experimental methods.

中文翻译:

热非平衡对去激发过程中整体原子重组的影响有多大?

通过对 / 和 / 的二元混合物进行状态到状态的恒定体积热浴模拟来进行参数研究,以确定整体原子重组受热非平衡影响和不受热非平衡影响的非平衡去激发条件。我们发现最重要的参数是发生去励磁时的平移温度。研究发现,500 K 左右的低平移温度可以防止整个原子重组过程受到热非平衡的影响,因为该温度值较小,使解离反应不太重要。在 2000 K 的较高平移温度下,由于非平衡加速解离速率,整个原子复合过程受热非平衡的影响程度与相应激发条件下的影响相当。目前的结果对降阶建模和实验方法具有重要意义。
更新日期:2024-02-06
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