Prediction of Surface Tension Using COSMO-RS

We developed a method for predicting surface tension
using COSMO-RS.
It is based on an empirical correction to the COSMO-RS-based method
for predicting liquid–liquid interfacial tension. The method
developed here allows for the predictions of surface tension and interfacial
tension of gas–liquid systems from low to high pressures and
gives good agreement with experiments for the surface tension of more
than 50 single component liquids and 12 binary mixtures, including
three surfactant solutions (one cationic, one anionic, and one nonionic).
The mean absolute deviation for the single component surface tension
predictions was <4 mN/m, and the average relative deviation was
11%. The maximum deviations were about −9 and +9 mN/m, which
correspond to a maximum relative deviation of 28%. The temperature
dependence of surface tension for several polar and nonpolar compounds
was also well reproduced as was the general behavior of surfactants.