Kulossa Markus, Marienhagen Philipp, Wagner Joachim
Institut für Chemie, Universität Rostock, 18051 Rostock, Germany.
Phys Rev E. 2022 Jun;105(6-1):064121. doi: 10.1103/PhysRevE.105.064121.
We provide second- to sixth-order virial coefficients of hard hyperspherocylinders in dependence on their aspect ratio ν. Virial coefficients of an anisotropic geometry in four dimensions are calculated employing an optimized Mayer-sampling algorithm. As the second virial coefficient of a hard particle is identical to its excluded hypervolume, the numerically obtained second virial coefficients can be compared to analytical relations for the excluded hypervolume based on geometric measures of the respective, convex geometry in dependence on its aspect ratio ν.
我们给出了硬超球柱体的二阶到六阶维里系数,这些系数取决于它们的纵横比ν。利用优化的迈耶抽样算法计算了四维各向异性几何体的维里系数。由于硬粒子的二阶维里系数与其排除超体积相同,因此可以将数值获得的二阶维里系数与基于相应凸几何体几何度量且取决于其纵横比ν的排除超体积的解析关系进行比较。