Article Dans Une Revue The Journal of Chemical Physics Année : 1988

The solution of the hypernetted-chain and Percus–Yevick approximations for fluids of hard spherocylinders

Résumé

The hypernetted-chain (HNC) and Percus–Yevick (PY) approximations are solved numerically for isotropic fluids of hard spherocylinders with length-to-breadth ratios ranging from 2 to 6. The theoretical results are compared with the available Monte Carlo data for the equation of state and the pair correlation function. The HNC theory was found to predict the existence of a nematic phase at densities in reasonable agreement with recent computer simulations.

Fichier principal
Vignette du fichier
sc.pdf (634.51 Ko) Télécharger le fichier
Origine Fichiers produits par l'(les) auteur(s)
Licence

Dates et versions

hal-04331940 , version 1 (08-12-2023)

Licence

Identifiants

Citer

A. Perera, G. Patey. The solution of the hypernetted-chain and Percus–Yevick approximations for fluids of hard spherocylinders. The Journal of Chemical Physics, 1988, 89 (9), pp.5861-5868. ⟨10.1063/1.455537⟩. ⟨hal-04331940⟩
44 Consultations
67 Téléchargements

Altmetric

Partager

  • More