Ab initio potential energy curve for the neon atom pair and thermophysical properties for the dilute neon gas.: II.: Thermophysical properties for low-density neon

被引:59
作者
Bich, Eckard [1 ]
Hellmann, Robert [1 ]
Vogel, Eckhard [1 ]
机构
[1] Univ Rostock, Inst Chem, Rostock, Germany
关键词
neon pair potential; neon gas property standards; second and third pressure virial coefficients; viscosity; thermal conductivity;
D O I
10.1080/00268970801964207
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A neon-neon interatomic potential energy curve determined from quantum-mechanical ab initio calculations and described with an analytical representation (R. Hellmann, E. Bich, and E. Vogel, Molec. Phys. 106, 133 (2008)) was used in the framework of the quantum-statistical mechanics and of the corresponding kinetic theory to calculate the most important thermophysical properties of neon governed by two-body and three-body interactions. The second and third pressure virial coefficients as well as the viscosity and thermal conductivity coefficients, the last two in the so-called limit of zero density, were calculated for natural Ne from 25 to 10,000 K. Comparison of the calculated viscosity and thermal conductivity with the most accurate experimental data at ambient temperature shows that these values are accurate enough to be applied as standard values for the complete temperature range of the calculations characterized by an uncertainty of about +/- 0.1% except at the lowest temperatures.
引用
收藏
页码:813 / 825
页数:13
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