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Characteristic Curves of the Lennard-Jones Fluid
International Journal of Thermophysics ( IF 2.2 ) Pub Date : 2020-08-20 , DOI: 10.1007/s10765-020-02721-9
Simon Stephan 1 , Ulrich K Deiters 2
Affiliation  

Equations of state based on intermolecular potentials are often developed about the Lennard-Jones (LJ) potential. Many of such EOS have been proposed in the past. In this work, 20 LJ EOS were examined regarding their performance on Brown’s characteristic curves and characteristic state points. Brown’s characteristic curves are directly related to the virial coefficients at specific state points, which can be computed exactly from the intermolecular potential. Therefore, also the second and third virial coefficient of the LJ fluid were investigated. This approach allows a comparison of available LJ EOS at extreme conditions. Physically based, empirical, and semi-theoretical LJ EOS were examined. Most investigated LJ EOS exhibit some unphysical artifacts. Electronic supplementary material The online version of this article (10.1007/s10765-020-02721-9) contains supplementary material, which is available to authorized users.

中文翻译:

Lennard-Jones 流体的特征曲线

基于分子间电位的状态方程通常是关于 Lennard-Jones (LJ) 电位开发的。过去已经提出了许多这样的EOS。在这项工作中,检查了 20 个 LJ EOS 在布朗特征曲线和特征状态点上的性能。Brown 的特性曲线与特定状态点的维里系数直接相关,可以根据分子间势精确计算。因此,还研究了 LJ 流体的第二和第三维里系数。这种方法允许在极端条件下比较可用的 LJ EOS。检查了基于物理、经验和半理论的 LJ EOS。大多数被调查的 LJ EOS 都表现出一些非物理伪影。电子补充材料本文的网络版(10.
更新日期:2020-08-20
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