Liquid-vapour coexistence in a cylindrical pore

Abstract

We report molecular dynamics calculations of a Lennard-Jones fluid in a cylindrical pore. Following a temperature quench the fluid spontaneously phase-separates into a liquid-like region and a gas-like region. The two regions are separated by a hemispherical meniscus. The capillary condensation is located for two temperatures via a calculation of the chemical potential of the two-phase system. Coexistence disappears when the temperature is raised to kTϵ = 1·0, indicating the existence of a capillary critical point.