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Reexamining equations of state of oblate hard ellipsoids of revolution: Numerical simulation utilizing a cluster Monte Carlo algorithm and comparison to virial theory

Authors :
Joachim Wagner
Philipp Marienhagen
Source :
Physical review. E. 105(1-1)
Publication Year :
2021

Abstract

We provide highly accurate equation-of-state data determined by means of cluster Monte Carlo simulations for the isotropic phase of oblate hard ellipsoids of revolution. Both equation-of-state data and phase boundaries of the isotropic phase are obtained from relatively large ensembles with typically 1000 particles. The comparison of simulation data with a virial approach gives evidence for the importance of high-order so-far-unknown virial coefficients and therewith many-particle interactions in dense, isotropic systems of anisotropic particles. While a virial approach with a rescaled Carnahan-Starling correction for the unknown, higher-order virial coefficients reproduces the simulation data of moderately anisotropic particles with high accuracy, we suggest for highly anisotropic shapes a simple, heuristic equation of state as a suitable approach.

Details

ISSN :
24700053
Volume :
105
Issue :
1-1
Database :
OpenAIRE
Journal :
Physical review. E
Accession number :
edsair.doi.dedup.....ff79c242f46da2c002f4855e99386ed2