Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices

摘要

Modelling of the critical micelle concentrations (cmc) using the molecular connectivity indices was performed for a set of 21 cationic gemini surfactants with medium-length spacers. The obtained model contains only the second-order Kier and Hall molecular connectivity index. It is suggested that the index ~2χ includes some information about flexibility. The obtained model was used to predict log_(10) cmc of other cationic gemini surfactants. The agreement between calculated and experimental values of log_(10) cmc for the gemini surfactants that were not used in the correlation is very good.