An accurate equation of state for the exponential-6 fluid applied to dense supercritical nitrogen

被引:84
作者
Fried, LE [1 ]
Howard, WM [1 ]
机构
[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA
关键词
D O I
10.1063/1.476520
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
The exponential-6 potential model is widely used in fluid equation of state studies. We have developed an accurate and efficient complete equation of state for the exponential-6 fluid based on HMSA integral equation theory and Monte Carlo calculations. Our equation of state has average fractional error of 0.2% in p V/Nk(B)T and 0.3% in the excess energy U-ex/Nk(B)T. This is a substantial improvement in accuracy over perturbation methods, which are typically used in treatments of dense fluid equations of state. We have applied our equation of state to the problem of dense supercritical N-2. We and that we are able to accurately reproduce a wide range of material properties with our model, over a range 0.01 less than or equal to P less than or equal to 100 GPa and 298 less than or equal to T less than or equal to 15000 K. [S0021-9606(98)50841-0].
引用
收藏
页码:7338 / 7348
页数:11
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