We provide analytical expressions for the second virial coefficients of differently shaped hard solids of revolution in dependence on their aspect ratio. The second virial coefficients of convex hard solids, which are the orientational averages of the mutual excluded volume, are derived from volume, surface, and mean radii of curvature employing the Isihara–Hadwiger theorem. Virial coefficients of both prolate and oblate hard solids of revolution are investigated in dependence on their aspect ratio. The influence of one- and two-dimensional removable singularities of the surface curvature to the mutual excluded volume is analyzed. The virial coefficients of infinitely thin oblate and infinitely long prolate particles are compared, and analytical expressions for their ratios are derived. Beyond their dependence on the aspect ratio, the second virial coefficients are influenced by the detailed geometry of the particles.
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28 November 2017
Research Article|
November 22 2017
Virial coefficients of anisotropic hard solids of revolution: The detailed influence of the particle geometry
Elisabeth Herold;
Elisabeth Herold
Institut für Chemie, Universität Rostock
, D-18051 Rostock, Germany
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Robert Hellmann
;
Robert Hellmann
Institut für Chemie, Universität Rostock
, D-18051 Rostock, Germany
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Joachim Wagner
Joachim Wagner
Institut für Chemie, Universität Rostock
, D-18051 Rostock, Germany
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J. Chem. Phys. 147, 204102 (2017)
Article history
Received:
September 14 2017
Accepted:
October 18 2017
Citation
Elisabeth Herold, Robert Hellmann, Joachim Wagner; Virial coefficients of anisotropic hard solids of revolution: The detailed influence of the particle geometry. J. Chem. Phys. 28 November 2017; 147 (20): 204102. https://doi.org/10.1063/1.5004687
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