离子色谱线性梯度下分离碱金属、碱土金属和胺离子的计算机模拟

Simulation of Separation for Cations of Alkali, Alkaline-earth and Amine in Linear Gradient Elution Ion Chromatography

通过大量实验数据,建立了使用硫酸淋洗液时碱金属、碱土金属离子和胺离子的保留值随淋洗液浓度变化关系的数据库,并在此基础上建立了使用硫酸淋洗液时用计算机模拟离子色谱梯度淋洗分离碱金属、碱土金属离子和胺离子的新方法.研究了在线性梯度淋洗过程中不同时刻这些阳离子在色谱柱中的位置及所在位置的淋洗液浓度,得出这些阳离子在不同时间的容量因子、迁移速度,通过积分得到保留时间.模拟色谱图保留值与实验值的相对误差小于2%,模拟色谱图的色谱峰峰形与实验所得到的色谱图的色谱峰峰形非常接近.

The database for relationship between the concentration ofeluent and retention value of cations of alkali, alkaline-earth and amine in linear gradient elution ion chromatography was established based on a number of experimental data. A new method of simulating separating cations of alkali, alkaline-earth and amine in linear gradient elution ion chromatography with sulphuric acid as eluent was developed. The positions of cations in chromatographic column, the sulphuric acid concentrations in positions at the time, the retention factor of cations and migration rate of cations in positions at the time during the process of gradient elution have been studied. The retention times were deduced by integral. The retention times and peak shapes of simulating chromatograms are in excellent agreement with the chromatograms of the experiments. The relative errors are below 2%.