Journal of Chemical Physics, Vol.120, No.24, 11754-11764, 2004
Liquid-vapor interface of square-well fluids of variable interaction range
Properties of the liquid-vapor interface of square-well fluids with ranges of interaction lambda = 1.5, 2.0, and 3.0 are obtained by Monte Carlo simulations and from square-gradient theories that combine the Carnahan-Starling equation of state for hard spheres with the second and third virial coefficients. The predicted surface tensions show good agreement with the simulation results for lambda = 2 and for lambda = 3 in a temperature range reasonably close to the critical point, 0.8 less than or equal to T/T-c less than or equal to 0.95. As expected, the surface tension increases with the range of interaction and decreases monotonically with temperature. A comparison between theory and simulation results is also given for the width of the interface and for the coexistence curves for the different interaction ranges. (C) 2004 American Institute of Physics.