Vapour-liquid equilibria of the Lennard-Jones potential, truncated and shifted at 2:5, are studied using molecular dynamics simulations, an attractive option for studying inhomogeneous systems. Comprehensive simulation data are reported for three cases: no interface, a planar interface, and a spherical interface between the coexisting phases, covering a wide range of temperatures. Spherical droplets are also studied for a range of radii between 5 and 16. The size dependence of the surface tension, based on the Irving-Kirkwood pressure tensor, and other properties is quantified for spherical interfaces. All simulation results are correlated with a consistent set of empirical equations. A comparison with the results of other authors as well as with experimental data for noble gases and methane is also presented.

The flow in two liquids inside a rectangular side-heated cavity, driven by a thermal-gradient-induced Marangoni effect along the common interface, is investigated numerically using molecular dynamics simulations. For this configuration the surface-tension gradient drives two counter-rotating vortices inside the cavity. The model fluids are simple Lennard-Jones type fluids, selected for varying liquid-solid contact angles. The velocity field is determined and compared to analytical results of the continuum creeping-flow approximation of this configuration.