根据量子力学和分子运动学理论,采用稀有气体的abinitio势能,分别计算了氦-4、氖、氩、氪和氙纯质在低密度时的热物理性质,包括第二维里系数,热扩散系数和热扩散因子,计算的温度范围为50—5000K.预测结果具有较高的精度,与采用经验势能的计算结果相比,本文结果更接近实验数据和REFPROP8.0的标准值,为相关的科学研究和工程应用提供了所需的基础数据.
The thermophysical properties of pure helium-4,neon,argon,krypton and xenon are calculated using ab initio potentials of kinetic theory over the temperature range from 50 to 5000 K at zero-density,including the second virial coefficient,thermal diffusion coefficient and thermal diffusion factor. Comparing with results obtained by empirical potentials,the results of present work are in better agreement with experimental data and recommended values of REFPROP 8. 0.