应用拓扑指数计算润滑油馏分正构烷烃熔点

COMPUTATION OF THE MELTING POINTS OF LUBE FRACTION N-ALKANES WITH TOPOLOGICAL INDEXES

在分子图的距离矩阵和邻接矩阵基础上对润滑油馏分正构烷烃分子的拓扑指数进行了计算，并以Balaban中心指数的计算为例进行说明。求得C20～C44正构烷烃的B指数和J指数，并以C20～C44正构烷烃的熔点与其相关的拓扑指数进行多元线性拟合为例说明其应用。

The topological indexes of lube fraction n-alkanes based on distance matrix and adjacency matrix in molecular digrams were computed. The example cited was the calculation of Balaban Centric Index. The B index and J index of n-alkane within 20~44 carbon were obtained. An example of the multivariate linear equation for melting points of n-alkanes within 20~44 carbon correlated with the corresponding topological indexes was given.