Stephan Simon, Deiters Ulrich K
Laboratory of Engineering Thermodynamics (LTD), TU Kaiserslautern, Erwin-Schrödinger-Straße 44, 67663 Kaiserslautern, Germany.
Institute of Physical Chemistry, University of Cologne, Greinstraße 4-6, 50939 Cologne, Germany.
Int J Thermophys. 2020;41(10):147. doi: 10.1007/s10765-020-02721-9. Epub 2020 Aug 20.
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.
基于分子间势的状态方程通常是围绕 Lennard-Jones（LJ）势发展而来的。过去已经提出了许多这样的状态方程。在这项工作中，研究了 20 种 LJ 状态方程在布朗特征曲线和特征状态点上的性能。布朗特征曲线与特定状态点处的维里系数直接相关，而维里系数可以从分子间势精确计算得出。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对现有的 LJ 状态方程进行比较。研究了基于物理、经验和半理论的 LJ 状态方程。大多数被研究的 LJ 状态方程都表现出一些非物理的伪像。
