用灰色模型预测同系物的液相色谱保留值

PREDICTING LIQUID CHROMATOGRAPHIC CAPACITY FACTOR OF HOMOLOGOUS BY GRAY MODEL

利用灰色理论的ＧＭ（１．１）模型研究了５－二甲胺萘－１－磺基胺盐酸盐（Ｄｎｓ胺）的同系物在不同组成流动相的反相高效液相色谱中的保留值与取代基碳原子数的关系．根据不同色谱条件下所建立的数学模型，计算和预测了６种Ｄｎｓ胺同系物在６种不同流动相组成色谱系统中的保留值ｋ．并用相同的方法计算和预测了烷基取代苯和对氨基苯甲酸酯系列物的液相色谱保留值．计算和预测值的相对偏差小于３％．误差率高，预测精度比文献的预测结果好．

The relationship between the capacity factor in liquid chromatographic and the carbon number of substituent of Dns amides, n alkylbenzenes and p aminobenzoates have been studied by use of Gray Model(1 1) The values of k,in different mobile phase compositions for the homologous of each compounds were calculated or predicted according to the model built The results of calculation or prediction were in good agreement with the values of k ,observed,which percent deviation less than 3( for most compounds,were better than lecture(see Ref 9 11).We come to conclusion that it is possible to predict the retention value by Gray Model with the molecular structure parameter of solutes