Calculation of Surface Tensions of Polar Mixtures with a Simplified Gradient Theory Model

[摘要] References(23)Cited-By(12)In this work, assuming that the number densities of each component in a mixture across the interface between the coexisting vapor and liquid phases are linearly distributed, we developed a simplified gradient theory (SGT) model for computing surface tensions. With this model, it is not required to solve the time-consuming density profile equations of the gradient theory model. The SRK EOS was applied to calculate the properties of the homogeneous fluid. First, the SGT model was used to predict surface tensions of 34 binary mixtures with an overall average absolute deviation of 3.46%. The results show good agreement between the predicted and experimental surface tensions. Next, the SGT model was applied to correlate surface tensions of binary mixtures containing alcohols, water or/and glycerol by application of one and two adjustable parameters and satisfactory results were obtained. Finally, the SGT model was used to predict surface tensions of a ternary mixture with reasonable accuracy.

[关键词] Thermodynamics;Simplified Gradient Theory;Surface Tension;Equation of State;Influence Parameter