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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
- 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