Predicting the slope of the radial distribution function of a hard disk fluid

被引:0
|
作者
Heying, Michael [1 ]
Vian, Christian [1 ]
机构
[1] Cal Poly State Univ, Dept Chem & Biochem, San Luis Obispo, CA 93401 USA
关键词
Hard particle fluids; radial distribution function; scaled particle theory; perturbation theory; SCALED PARTICLE THEORY; EQUATION-OF-STATE; VIRIAL-COEFFICIENTS; SPHERES;
D O I
10.1080/00268976.2020.1815884
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 slope of the radial distribution function at contact is investigated for a pure component two-dimensional hard disk fluid. Using the framework of scaled particle theory (SPT), an exact equation for g'(sigma(+)) is derived in terms of SPT quantities. This new expression requires the value of the average of a three-particle correlation functionfor which an ideal gas approximation is developed. The resultant predictions for g'(sigma(+)) are compared to those generated from literature equations and to simulation data generated for this work. In addition to simulation data for g'(sigma(+)), simulation values for the three-particle correlation functionare presented for comparison to the approximation. The simple fourth-order integer coefficient polynomial is an accurate predictor of g'(sigma(+)), on the order of or better than what is calculated by existing equations. [GRAPHICS] .
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页数:8
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