On the prediction of surface tension for multicomponent mixtures

A prediction method for surface tension of real mixtures was developed base d on the Davis theory, and tested with the molecular dynamics simulation re sults of Mecke et al. (1997) for surface tension of the Lennard-Jones fluid . An effective Lennard-jones potential was introduced for correlating surfa ce tension for real pure liquids and binary liquid mixtures, leading to pre diction of surface tension of multicomponent systems, including aqueous mix tures. The overall average absolute percentage deviations (AAPD) obtained i n the correlated results for 62 pure liquids, 91 non-aqueous and 11 aqueous binaries are 0.66, 0.80, and 1.75, respectively. In the prediction of the surface tension for 9 ternary and 4 quaternary systems, using the molecular parameters of pure liquids and the adjustable binary parameters, the overa ll AAPDs are 1.75 and 1.03, respectively.