The solution of the hypernetted-chain and Percus–Yevick approximations for fluids of hard spherocylinders
- 1 November 1988
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 89 (9) , 5861-5868
- https://doi.org/10.1063/1.455537
Abstract
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.Keywords
This publication has 13 references indexed in Scilit:
- Erratum: The solution of the hypernetted chain and Percus–Yevick approximations for fluids of hard nonspherical particles. Results for hard ellipsoids of revolution [J. Chem. Phys. 8 7, 1295 (1987)]The Journal of Chemical Physics, 1988
- The solution of the hypernetted chain and Percus–Yevick approximations for fluids of hard nonspherical particles. Results for hard ellipsoids of revolutionThe Journal of Chemical Physics, 1987
- A theoretical study of simple liquid crystal modelsMolecular Physics, 1987
- Equations of state of hard body fluidsMolecular Physics, 1986
- The hard ellipsoid-of-revolution fluidMolecular Physics, 1985
- The solution of the hypernetted-chain approximation for fluids of nonspherical particles. A general method with application to dipolar hard spheresThe Journal of Chemical Physics, 1985
- Hard spherocylinder fluids: a monte carlo studyChemical Physics Letters, 1978
- Monte Carlo study of hard spherocylindersCzechoslovak Journal of Physics, 1976
- Approximate hard convex body equations of state and boundaries of their validityCzechoslovak Journal of Physics, 1976
- The equation of state of a system of hard spherocylindersMolecular Physics, 1974