Vapor–liquid phase diagrams and structure of a square-well fluid confined in weakly attractive cylindrical pores

Abstract

Using canonical Monte Carlo simulations, the vapor-liquid phase diagrams of a square-well fluid confined in hard and weakly attractive cylindrical pores are calculated. The critical temperature shows a maximum as a function of the attraction strength between the fluid particle and the pore wall. This maximum is located where the fluid–fluid equals the wall–fluid interaction strengths. With the aid of combined density profiles in the axial and radial directions the maximum of the critical temperature is correlated with the structure of the confined fluid.