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Resolution and peak asymmetry modelling in gradient elution ion chromatography

A major challenge in the development of ion chromatographic separation methods is the rational selection of optimal experimental conditions that can provide an adequate separation and a reasonable run time. The reliability of an optimization procedure depends on quality of the retention behaviour description for all compounds present in the mixture followed by sufficiently informative criterion function used to measure the separation between each pair chromatographic peaks. When using retention models for global optimization of separation very often, only the retention times of solutes are taken into account enabling fast and simple procedure. This is suitable for comparing chromatograms if all peaks are symmetrical and show similar plate count. Inclusion of resolution and the peak asymmetry in the optimisation process is not only essential when asymmetrical or low-efficiency peaks are involved, but also in situations where symmetrical peaks are very close to each other. The aim of this work is development of gradient elution retention model that can be applied for modelling of resolution and peak asymmetry in ion chromatography. Developed gradient elution retention model is based on isocratic experimental data enabling fast and simple modelling of various gradient profiles. This study shows extensive error analysis of developed gradient elution model in order to verify its performance characteristics.

resolution; peak asymmetry; modelling; gradient elution; ion chromatography

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