高效液相色谱梯度洗脱时间的计算机预测

Computer Prediction of Gradient Elution Times in High Performance Liquid Chromatography

根据顶替吸附多种相互作用的液相色谱保留机理，本文提出了一个新的适用于任意多阶二元线性梯度色谱的保留模型并导出了相应的保留值基本方程。编制了预测任意多阶二元线性梯度色谱中保留时间的计算机程序并用不同样品的实验数据验证了预测结果，预测值和实验值的RSD小于5％。

On the basis of the retention mechanism of displacement adsorption multi-interaction in liquid chromatography, a new retention model which can be used in arbitrary multiple binary linear gradient chromatography was established and the relative retention fundamental equation was derived. A program which predicts retention times of arbitrary multiple binary linear gradient chromatography was developed and the predicted results were verified by experimental data. The calcuIated values are in excellent agreement with those found experimentally.