Density functional theory of inhomogeneous liquids. I. The liquid-vapor interface in Lennard-Jones fluids
| dc.creator | Lutsko, James F. | |
| dc.date | 2007-10-05 | |
| dc.date.accessioned | 2026-07-07T08:34:22Z | |
| dc.date.available | 2026-07-07T08:34:22Z | |
| dc.description | A simple model is proposed for the direct correlation function (DCF) for simple fluids consisting of a hard-core contribution, a simple parametrized core correction, and a mean-field tail. The model requires as input only the free energy of the homogeneous fluid, obtained, e.g., from thermodynamic perturbation theory. Comparison to the DCF obtained from simulation of a Lennard-Jones fluid shows this to be a surprisingly good approximation for a wide range of densities. The model is used to construct a density functional theory for inhomogeneous fluids which is applied to the problem of calculating the surface tension of the liquid-vapor interface. The numerical values found are in good agreement with simulation. | |
| dc.identifier | https://arxiv.org/abs/0710.1168 | |
| dc.identifier | http://arxiv.org/abs/0710.1168 | |
| dc.identifier | J. Chem. Phys. 127, 054701 (2007) | |
| dc.identifier | doi:10.1063/1.2753500 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/139415 | |
| dc.subject | Statistical Mechanics | |
| dc.title | Density functional theory of inhomogeneous liquids. I. The liquid-vapor interface in Lennard-Jones fluids | |
| dc.type | text |