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Wide-Ranging Reference Correlations for Dilute Gas Transport Properties Based on Ab Initio Calculations and Viscosity Ratio Measurements
Journal of Physical and Chemical Reference Data ( IF 4.4 ) Pub Date : 2020-03-01 , DOI: 10.1063/1.5125100
Darren Rowland 1 , Saif Z. S. Al Ghafri 1 , Eric F. May 1
Affiliation  

The combined use of experimental viscosity ratios together with ab initio calculations for helium has driven significant improvements in the description of dilute gas transport properties. Here, we first use improvements made to ab initio helium calculations to update viscosity ratios measured for H2, Ar, CH4, and Xe by May et al. [Int. J. Thermophys. 28, 1085 (2007)] over the temperature range of 200–400 K, reducing the uncertainties of the data to 0.055%, 0.038%, 0.067%, and 0.084%, respectively. Separately, we extend the technique of combining viscosity ratios with ab initio calculations to develop new reference correlations for the dilute gas viscosity of 10 gases: helium, neon, argon, krypton, xenon, hydrogen, nitrogen, methane, ethane, and propane. This is achieved by combining the ratios of viscosities calculated ab initio at the target temperature and at 298.15 K with experimentally based reference viscosity values for each gas at 298.15 K. The new reference dilute gas viscosity correlations span temperature ranges from at least 150 K to 1200 K with relative uncertainties between 30% (krypton) and 85% (methane) lower than the original ab initio results. For the noble gases, ab initio calculations for the Prandtl number are used to develop reference correlations for thermal conductivity ranging from at least 100 K to 5000 K, with relative uncertainties ranging from 0.04% (argon) to 0.20% (xenon). The new reference correlations are compared with available experimental data at dilute gas conditions. In general, the data agree with the new correlations within the claimed experimental uncertainty.

中文翻译:

基于 Ab Initio 计算和粘度比测量的稀释气体传输特性的广泛参考相关性

实验粘度比与氦气从头计算的结合使用,推动了对稀气体传输特性描述的显着改进。在这里,我们首先使用对 ab initio 氦计算的改进来更新 May 等人对 H2、Ar、CH4 和 Xe 测量的粘度比。[国际。J.Thermophys。28, 1085 (2007)] 在 200-400 K 的温度范围内,将数据的不确定性分别降低到 0.055%、0.038%、0.067% 和 0.084%。另外,我们扩展了将粘度比与从头计算相结合的技术,为 10 种气体的稀释气体粘度开发新的参考相关性:氦气、氖气、氩气、氪气、氙气、氢气、氮气、甲烷、乙烷和丙烷。这是通过将在目标温度和 298.15 K 下从头计算的粘度比与每种气体在 298.15 K 时基于实验的参考粘度值相结合来实现的。新的参考稀释气体粘度相关性跨越温度范围从至少 150 K 到 1200 K 的相对不确定性在 30%(氪)和 85%(甲烷)之间比原始 ab initio 结果低。对于稀有气体,普朗特数的从头算计算用于开发热导率范围从至少 100 K 到 5000 K 的参考相关性,相对不确定性范围从 0.04%(氩气)到 0.20%(氙气)。将新的参考相关性与稀释气体条件下的可用实验数据进行比较。一般来说,
更新日期:2020-03-01
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