Comprehensive study of the vapour-liquid coexistence of the truncated and shifted Lennard-Jones fluid including planar and spherical interface properties

Vapour-liquid equilibria of the Lennard-Jones potential, truncated and shifted at 2.5 sigma, 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 sigma. 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.