Solid–liquid critical behavior of a cylindrically confined Lennard-Jones fluid

Abstract

Extensive molecular dynamics simulations have been performed to study the phase behavior of Lennard-Jones particles confined in a quasi-one-dimensional hydrophobic nanopore. We provide unambiguous evidence for a solid–liquid critical point by investigating (i) isotherms in the pressure–volume plane, (ii) the spontaneous solid–liquid phase separation below a certain temperature, (iii) diverging heat capacity and isothermal compressibility as a certain point is approached, (iv) continuous change of dynamical and structural properties above the point, (v) the finite-size scaling analysis of the density distribution below and above the point. The result combined with earlier studies of confined water suggests that the solid–liquid critical point is not uncommon in quasi-one- and quasi-two-dimensional fluids.