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利用一种简单直观的一个改进的拓扑指数D,路径指数P2和位置指数S来表征多烷基苯的分子结构,并建立了多烷基苯的沸点与其分子结构之间的定量关系式。拓扑指数的相关性良好,对各种多烷基苯及其异构体的沸点的预测结果与文献值一致性令人满意。
Using a simple and intuitive method, an improved topological index D, path index P2 and position index S were used to characterize the molecular structure of polyalkylbenzenes. The quantitative relationship between the boiling points of polyalkylbenzenes and their molecular structures was established. Topological index correlation is good, the prediction of the boiling point of various polyalkylbenzenes and their isomers is consistent with the literature values.