In this work, we report results of our investigation on the relationship between the Krafft temperature of ionic surfactants in aqueous solutions and their chemical structure. We tested empirical values of the Krafft temperature available in literature for aqueous solutions of 234 ionic surfactants and correlated them to the surfactant chemical structure. In this work, we propose a novel set of 67 group contributions for calculation of the Krafft temperature of ionic surfactants in aqueous solutions. Using them, the Krafft temperature values in aqueous solutions for 174 anionic, 43 cationic, and 17 zwitterionic surfactants were calculated and the estimated values obtained in this way were compared with experimental values. We have demonstrated that the newly developed set of numerical values structural group contributions of the surfactants allows correct estimation of the Krafft temperature value for the tested set of data with the maximum error 7.6°C and the mean square error 3.7°C for various types of ionic surfactants in aqueous solutions.

中文翻译：

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用于估计离子表面活性剂在水溶液中的卡夫温度的新型结构增量

在这项工作中，我们报告了关于离子型表面活性剂在水溶液中的Krafft温度与其化学结构之间关系的调查结果。我们测试了文献中可用于234种离子型表面活性剂水溶液的Krafft温度的经验值，并将它们与表面活性剂的化学结构相关联。在这项工作中，我们提出了一组新的67组基团，用于计算水溶液中离子表面活性剂的Krafft温度。使用它们，计算了174种阴离子，43种阳离子和17种两性离子表面活性剂在水溶液中的Krafft温度值，并将以此方式获得的估计值与实验值进行了比较。