Wide-Ranging Reference Correlations for Dilute Gas Transport Properties Based on Ab Initio Calculations and Viscosity Ratio Measurements

IF 4.4 2区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY Journal of Physical and Chemical Reference Data Pub Date : 2020-01-27 DOI:10.1063/1.5125100
D. Rowland, Saif Z. S. Al Ghafri, E. May
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引用次数: 8

Abstract

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.
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基于Ab Initio计算和粘度比测量的稀释气体输运特性宽范围参考关联
实验粘度比与氦从头计算的结合使用推动了稀释气体传输特性描述的显著改进。在这里,我们首先使用对从头算氦计算的改进来更新May等人[Int.J.Thermophys.281085(2007)]在200–400 K的温度范围内测量的H2、Ar、CH4和Xe的粘度比,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了新的参考相关性: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298.15K下从头计算的粘度与298.15K时每种气体基于实验的参考粘度值的比率相结合来实现的。新的参考稀释气体粘度相关性的温度范围至少为150 K至1200 K,相对不确定度比原始从头计算结果低30%(氪)至85%(甲烷)。对于稀有气体,使用普朗特数的从头计算来建立热导率的参考相关性,热导率范围至少为100 K至5000 K,相对不确定度范围为0.04%(氩)至0.20%(氙)。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了比较。总的来说,在声称的实验不确定性范围内,数据与新的相关性一致。
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来源期刊
CiteScore
6.90
自引率
11.60%
发文量
14
审稿时长
>12 weeks
期刊介绍: The Journal of Physical and Chemical Reference Data (JPCRD) is published by AIP Publishing for the U.S. Department of Commerce National Institute of Standards and Technology (NIST). The journal provides critically evaluated physical and chemical property data, fully documented as to the original sources and the criteria used for evaluation, preferably with uncertainty analysis. Critical reviews may also be included if they document a reference database, review the data situation in a field, review reference-quality measurement techniques, or review data evaluation methods.
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