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 log10 cmc of other cationic gemini surfactants. The agreement between calculated and experimental values of log10 cmc for the gemini surfactants that were not used in the correlation is very good.

中文翻译：

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使用分子连接指数模拟阳离子双子表面活性剂的临界胶束浓度

使用分子连接指数对具有中等长度间隔的 21 种阳离子双子表面活性剂进行临界胶束浓度 (cmc) 建模。获得的模型仅包含二阶 Kier 和 Hall 分子连通性指数。建议指数 2χ 包括一些关于灵活性的信息。获得的模型用于预测其他阳离子双子表面活性剂的 log10 cmc。对于未用于相关性的双子表面活性剂，log10 cmc 的计算值和实验值之间的一致性非常好。