烷烃的毛细管气相色谱保留指数的分子拓扑

Molecular Topological Research on the Capillary Gas Chromatographic Retention Index Data of Alkanes

在色谱分析中 ,色谱保留指数作为定性指标的保留值是一种较为可靠的参数 .通过计算石脑油中 34种烷烃的氢连接性指数 ,用多元线性回归将它与毛细管气相色谱保留指数进行关联分析获得良好的相关性 ,相关系数R为 0 .990 0 ,标准偏差 s为 15 .2 4 .

The retention index is a reliable parameter in qualitative analysis of chromatography. Molecular topological research (MLR) has been applied to corrlelate hydrogen connectivity indices of 34 alkanes in naphthas and the chromatographic retention index in the gas chromotography.A satisfactory linear relativity with R=(0.990 0,)s=15.24 was obtained. The regress fomula is stable and can be used in prediction of retention index.