Vapor-liquid equilibrium of hexadecapolar fluids from a perturbation-based equation of state.
In this work a numerically tractable expression for the interaction potential between two point hexadecapoles with octahedral symmetry and a molecular-based equation of state derived by perturbation theory for hexadecapolar fluids are presented. The polar system is modeled by square-well particles with a point hexadecapole with octahedral symmetry at their centers. This equation of state is analytical in the state variables and in the potential parameters and allows us to study the effects of the hexadecapolar moment strength on the thermodynamic properties and liquid-vapor phase diagram. The equation presented here is applied to the thermodynamics of sulfur hexafluoride and gives very good predictions for the saturation pressures and the vapor-liquid phase diagram.
Gámez
Francisco
F
Departamento Sistemas Físicos, Químicos y Naturales, Universidad Pablo de Olavide, Carretra de Utrera Km. 1, Seville 41013, Spain.
Lago
Santiago
S
del Río
Fernando
F
Benavides
Ana Laura
AL