title: Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices.
abstract: 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 index2χincludes some information about flexibility. The obtained model was used to predict log10cmcof other cationic gemini surfactants. The agreement between calculated and experimental values of log10cmcfor the gemini surfactants that were not used in the correlation is very good.
authors: Department of Physics and Biophysics, Wrocław University of Environmental and Life Sciences, ul. Norwida 25, 50-375 Wrocław, Poland.
authors: Anna
authors: A
authors: Mozrzymas
keywords: Cationic gemini surfactants; Critical micelle concentration; Molecular connectivity indices; QSPR