‘Liquid–vapour’ density profiles for fluids in pores from density functional theory
- 1 January 1993
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 89 (5) , 789-794
- https://doi.org/10.1039/ft9938900789
Abstract
By using a simple, non-local version of the density functional theory, local densities are determined as functions of two variables: the distance from the pore wall and the distance along the pore axis. Attention is focused on evaluation of the local densities corresponding to ‘liquid–vapour’ equilibrium at the capillary condensation point. Specific calculations were carried out for a fluid interacting via a cut and shift Lennard-Jones potential between two parallel plates.Keywords
This publication has 33 references indexed in Scilit:
- Capillary Condensation: A Molecular Simulation StudyMolecular Simulation, 1989
- Simulation Studies of a Lennard-Jones Liquid in MicroporesMolecular Simulation, 1989
- Structure and adsorption at gas–solid interfaces: Layering transitions from a continuum theoryThe Journal of Chemical Physics, 1988
- Adsorption and capillary condensation of fluids in cylindrical pores by Monte Carlo simulation in the Gibbs ensembleMolecular Physics, 1987
- Phase transitions in a cylindrical poreMolecular Physics, 1987
- Phase equilibria and solvation forces for fluids confined between parallel wallsThe Journal of Chemical Physics, 1987
- Liquid argon in a cylindrical carbon pore: molecular dynamics and born-green-yvon resultsChemical Physics Letters, 1987
- Molecular dynamics simulation of hindered diffusion in microcapillariesMolecular Physics, 1986
- Capillary condensation and adsorption in cylindrical and slit-like poresJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1986
- Fluid behaviour in narrow poresJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1986