화학공학소재연구정보센터
Canadian Journal of Chemical Engineering, Vol.79, No.3, 402-411, 2001
On the prediction of surface tension for multicomponent mixtures
A prediction method for surface tension of real mixtures was developed based on the Davis theory, and tested with the molecular dynamics simulation results of Mecke et al. (1997) for surface tension of the Lennard-Jones fluid. An effective Lennard-jones potential was introduced for correlating surface tension for real pure liquids and binary liquid mixtures, leading to prediction of surface tension of multicomponent systems, including aqueous mixtures. The overall average absolute percentage deviations (AAPD) obtained in 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 overall AAPDs are 1.75 and 1.03, respectively.