Simplified Gradient Theory Modeling of the Surface Tension for Binary Mixtures

摘要

In this work, the gradient theory was combined with the volume translation Peng-Robinson and Soave Redlich-Kwong equations of state (VTPR and VTSRK EOSs) and the influence parameter correlation to predict the surface tension of binary mixtures. The density profiles of mixtures across the interface were assumed to be linearly distributed to simplify the gradient theory model. The only two inputs of the theory are the Helmholtz free-energy density of the homogeneous fluid and the influence parameter of the inhomogeneous fluid. The VTPR and VTSRK equations of state were applied to determine the Helmholtz free-energy density and the bulk properties. The influence parameter of the inhomogeneous fluid was calculated from a correlation published previously (Lin et al. Fluid Phase Equilib 254:75, 2007). The only adjustable coefficient of the simplified gradient theory was set equal to zero, which made the theory predictive. The surface tension predicted by this model shows good agreement with experimental data for binary non-polar and polar mixtures.