The density profile and surface tension of a Lennard-Jones fluid from a generalized van der Waals theory
- 1 August 1979
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 38 (2) , 367-375
- https://doi.org/10.1080/00268977900101731
Abstract
We present results of calculations of the equilibrium density profile and surface tension for the liquid-vapour interface of a Lennard-Jones 12-6 fluid. These calculations are based on a ‘microscopic’ version of the van der Waals theory of the interface. At high temperatures our results are in fairly good agreement with those from computer simulations. Near the triple point, however, the calculated density profiles appear to be too broad and the corresponding surface tensions are about 50 per cent larger than the results of the simulations.Keywords
This publication has 8 references indexed in Scilit:
- The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluidsAdvances in Physics, 1979
- Computer simulation of a gas–liquid surface. Part 1Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1977
- Molecular theory of fluid interfacesJournal of Colloid and Interface Science, 1976
- Density-functional theory of simple classical fluids. I. SurfacesPhysical Review A, 1976
- Molecular theory of surface tensionThe Journal of Chemical Physics, 1976
- Surface structure and surface tension: Perturbation theory and Monte Carlo calculationThe Journal of Chemical Physics, 1974
- Phase Transitions of the Lennard-Jones SystemPhysical Review B, 1969
- Free Energy of a Nonuniform System. I. Interfacial Free EnergyThe Journal of Chemical Physics, 1958