engleski

OptIC, NEW SOFTWARE FOR PREDICTION AND OPTIMIZATION IN IC

The aim of this work is presentation of a new software for prediction and optimization in ion chromatography ; OptIC. The predictions are based on empirical mathematical model that calculates retentions (for both: isocratic and gradient mode) by using isocratic experimental data. Retention prediction of different points on chromatographic peak was used for further estimation of other relevant chromatographic values (resolution, peak asymmetry). Moreover, in order to provide IC users a complete schematic view of IC analysis, generalized logistic function was applied for description of component distribution inside chromatographic band. Selection of optimal conditions and faster scanning of gradient domain are based on four inhouse developed criteria incorporated in overall algorithm routine. The extensive model testing approved all above mentioned software attributes ; the testing results are presented in this work.

OptIC; software; prediction; optimization; ion chromatography

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