Calculation of third to eighth virial coefficients of hard lenses and hard, oblate ellipsoids of revolution employing an efficient algorithm

Philipp Marienhagen, Robert Hellmann, and Joachim Wagner
Phys. Rev. E 104, 015308 – Published 19 July 2021

Abstract

We provide third to eighth virial coefficients of oblate, hard ellipsoids of revolution and hard lenses in dependence on their aspect ratio ν. Employing an algorithm optimized for hard anisotropic shapes, highly accurate data are accessible with comparatively small numerical effort. For both geometries, reduced virial coefficients B̃i(ν)=Bi(ν)/B2i1(ν) are in first approximation proportional to the inverse excess contribution α1 of their excluded volume. The latter quantity is directly accessible from second virial coefficients and analytically known for convex bodies.

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  • Received 21 May 2021
  • Accepted 25 June 2021

DOI:https://doi.org/10.1103/PhysRevE.104.015308

©2021 American Physical Society

Physics Subject Headings (PhySH)

  1. Research Areas
Statistical Physics & Thermodynamics

Authors & Affiliations

Philipp Marienhagen1, Robert Hellmann2, and Joachim Wagner1,*

  • 1Institut für Chemie, Universität Rostock, Albert-Einstein-Straße 3a, 18059 Rostock, Germany
  • 2Institut für Thermodynamik, Helmut-Schmidt-Universität/Universität der Bundeswehr Hamburg, 22043 Hamburg, Germany

  • *joachim.wagner@uni-rostock.de

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Issue

Vol. 104, Iss. 1 — July 2021

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