反相液相色谱中同系物体系实验点与预测方程参数间的匹配研究

Studies on the Matching Relation of Homologues between Experimental Points and Parameters in Retention Equation in Reversed-Phase Liquid Chromatography

以波相色谱中溶质计量置换统一保留模型（SDM-R）的二参数、三参数和四参数方程为基础，研究了在预测同系物保留值时实验点与预测方程参数间的匹配关系。用两个实验点，分别以二、三和四参数方程对反相色谱中同系物保留值进行预测，发现预测值与实验值基本相符，但以二参数方程预测结果为最佳。又与其它保留方程的预测结果进行了比较，证实了上述结论。当实验点数增加到4～5个时，多参数方程预测同系物的准确度增加，且明显高于二参数方程。同时还讨论了方程中各参数与同系物碳数间的线性关系，发现二参数方程中的参数遵循同系物变化规律。然而无论实验点取多少，多参数方程均不服从这一规律。

The matching relation between the number of experimental points and that of parameters of retention equations employing two, three, and four parameters of stoichiometric displacement model for the retention (SDM-R) of homologue in liquid chromatography has been investigated. When two experimental points were used, the retention of the homologue of N-alkylphthalimides were predicted by equations with two,three, and four parameters. The predicted values were found to fit the experimental values, although the predicted values by equation of two parameters were found to be better than that by others. Comparison was also made among the retention models proposed by Snyder, Lu Peichang, and Schoenmakers, and it is found the foregoing points have been proved. With the increase in the number of experimental points, the deviation of the predicted results of equation with multi-parameters decreased, while that by equation of two parameters did not significantly decrease. The linear correlation between the parameters of all of those equations employed in this study and the carbon number of the homologue was also discussed. The parameters from equation of two parameters was found to follow the carbon rule of a homologue. On the contrary, the parameters from the equation with multi parameters were found not to follow.