Application of a Gradient Retention Model Developed by Using Isocratic Data for the Prediction of Retention, Resolution, and Peak Asymmetry in Ion Chromatography

Abstract

In this work a model was developed for the prediction of retention time, resolution, and peak asymmetry in gradient elution mode by using isocratic experimental data. The predictive performance and generalization ability of the developed model was extensively tested by using an external experimental data set. The analysis of errors was performed in order to discuss and explain characteristics of the model. It was shown that the model performed satisfactorily and that it could be used for a modeling procedure in the optimization part of the ion chromatography method development.

Keywords:

• Gradient elution
• Ion chromatography
• Peak asymmetry
• Resolution
• Retention model