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</=T/T(c)</=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.
Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, 07730 México D.F., México.
Pedro
P
Orea
Yurko
Y
Duda
Volker C
VC
Weiss
Wolffram
W
Schröer
José
J
Alejandre