Contact angles of Lennard-Jones liquids and droplets on planar surfaces

The contact angles of liquids and droplets of Lennard-Jones particles on a solid surface are determined by molecular dynamics simulations. The simulations show that the angles of contact are established within the first fluid layer. The droplets are not spherical segment-shaped. For an attractive surface corresponding to a small contact angle, the observed contact angles disagree with the corresponding angles obtained for macroscopic systems and using Young's equation and its extension for droplets with line tension.