Transport properties of two-component radium – halogen dilute gas media

Darya Meniailava, Maksim B Shundalau, Yong‐Chang Han
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Abstract

Based on state-of-the-art ab initio potential energy functions and classical kinetic theory, some transport properties (diffusion, viscosity and thermal conductivity coefficients) of two-component dilute gas media of radium and halogen (F, Cl, Br, I) atoms were predicted as functions of the translation temperature up to 3000 K. Calculations were performed by sequential analytical and (or) numerical computations of deflection angle, cross-section and collision integrals. A detailed methodology for the calculation of the transport properties using the Morse potential was developed. Some numerical difficulties arising due to the singularity of the integrands and discontinuous character of the variable of integration are considered. The dependence of transport properties on isotope mass is also shown. Possible errors introduced by using the model Morse potential function instead of the real potential for the interaction between atoms are estimated. These data can be useful for the planning of the experiments on the direct laser cooling of the monohalides of alkaline earth metals.
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双组分镭-卤素稀气体介质的输运性质
基于最先进的从头算势能函数和经典的动力学理论,预测了由铷和卤素(F, Cl, Br, I)原子组成的双组分稀气体介质的一些输运性质(扩散、粘度和导热系数)随平移温度高达3000 K的函数。计算通过顺序解析和(或)数值计算挠度角,横截面和碰撞积分。提出了一种利用莫尔斯势计算输运性质的详细方法。考虑了由于积分的奇异性和积分变量的不连续性所引起的一些数值困难。输运性质对同位素质量的依赖性也得到了证明。估计了用模型莫尔斯势函数代替原子间相互作用的实际势所引入的可能误差。这些数据可为激光直接冷却碱土金属单卤化物的实验规划提供参考。
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