Structure of liquid–vapor interface of square well fluid confined in a cylindrical pore

By means of the canonical Monte Carlo simulations, the vapor–liquid (VL) equilibrium and structure of square well (SW) fluids confined in a single cylindrical pore with repulsive surface, have been studied. Coexistence curves of the confined VL interface are determined for a wide range of temperatures and pore diameters. It is demonstrated that the confinement not only reduces the VL coexistence region but also induces strong inhomogeneities of the VL interface: coexistence liquid densities are different at the pore center and at the wall surface. It may be considered as a preliminary step for an isolated droplet formation inside the pore, as well as a tentative reason of the two VL phase transitions of simple fluids adsorbed into disordered porous media.