摘要
用拓扑方法研究了阴离子表面活性剂临界胶束浓度cm 与分子结构的关系. 根据分子结构的特点,用距离矩阵表征分子中原子的连接性,据此建立了结构基础明确的模型. 应用该模型预测了不同结构阴离子表面活性剂的 cm,结果表明,预测值满足精度要求,相关因数为0.998 1. 应用该模型,不仅能够合理表征阴离子表面活性剂的结构-性能关系,而且有助于揭示物质结构与性能之间的关系.
An approach based on the molecular topology was used to study the relationship between critical micelle concentration of anionic surfactant and its molecular structure. Based on the characteristics of molecular structure, the distance matrix was used to characterize the connectivity of the groups in the molecules and a quantitative formula was developed which can be used to predict the critical micelle concentration and to characterize the structure-property relationship of anionic surfactant. The calculation results showed that the predicted critical micelle concentration values meet precision requirement and the correlative factor is 0.9981. Not only can the quantitative formula predict the critical micelle concentration values but can help to discover the relationship among the structure-property.
出处
《大庆石油学院学报》
CAS
北大核心
2005年第1期55-57,共3页
Journal of Daqing Petroleum Institute
基金
国家973基础研究项目(G1999902500)
