Marienhagen Philipp, Wagner Joachim
Institut für Chemie, Universität Rostock, 18051 Rostock, Germany.
Phys Rev E. 2022 Jul;106(1-1):014101. doi: 10.1103/PhysRevE.106.014101.
We provide highly accurate equation-of-state data for the isotropic phase of hard lenses obtained by means of cluster Monte Carlo simulations. This data is analyzed using a virial approach considering coefficients up to the order eight and Carnahan-Starling type closure relations for the virial series. The comparison with previously investigated systems consisting of hard, oblate ellipsoids of revolution allows insights into the detailed influence of the particle geometry. We propose a generalized Carnahan-Starling approach as a heuristic equation of state for the isotropic phase of hard lenses that in first approximation shows the same dependence on the excess part of the excluded volume as identified for oblate, hard lenses of revolution.
我们通过团簇蒙特卡罗模拟提供了硬透镜各向同性相的高精度状态方程数据。使用维里方法对这些数据进行分析,该方法考虑了高达八阶的系数以及维里级数的卡纳汉 - 斯塔林型封闭关系。与先前研究的由硬的扁长旋转椭球体组成的系统进行比较,有助于深入了解粒子几何形状的详细影响。我们提出一种广义卡纳汉 - 斯塔林方法,作为硬透镜各向同性相的启发式状态方程,在一阶近似下,它对排除体积的过量部分显示出与扁长硬旋转透镜相同的依赖性。