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应用灰色系统理论和最小二乘原理, 推导出双变量连续微分 C G M (1 , 1 , 2) A 模型, 并将该模型用于高效液相色谱中溶质保留行为的预测。首次用建立的 C G M (1 , 1 , 2) 模型研究了不同流动相、不同色谱柱下几组烷基苯和链烷醇的容量因子与分子碳数和柱温的关系, 预测值平均相对偏差不超过1 . 5 % 。结果表明, 该模型适合描述溶质保留行为与分子结构参数之间的复杂关系, 为分子结构- 色谱保留定量相关 ( Q S R R) 研究提供了一种新的有效方法。
Applying the gray system theory and the least square principle, a bivariate continuous differential C G M (1, 1, 2) A model is derived and used to predict the solute retention behavior in high performance liquid chromatography. The C G M (1, 1, 2) model established for the first time was used to study the relationship between the capacity factors and molecular carbon and column temperature of several alkylbenzenes and alkanols in different mobile phases and different columns. The average The relative deviation does not exceed 1. 5%. The results show that the model is suitable for describing the complex relationship between solute retention behavior and molecular structure parameters, and provides a new and effective method for the study of QS R R.