title: Evaluation of separation in gradient elution ion chromatography by combining several retention models and objective functions.
abstract: In this work, three different methods for modeling of gradient retention were combined with several optimization objective functions in order to find the most appropriate combination to be applied in ion chromatography method development. The system studied was a set of seven inorganic anions (fluoride, chloride, nitrite, sulfate, bromide, nitrate, and phosphate) with a KOH eluent. The retention modeling methods tested were multilayer perceptron artificial neural network (MLP-ANN), radial-basis function artificial neural network (RBF-ANN), and retention model based on transfer of data from isocratic to gradient elution mode. It was shown that MLP retention model in combination with the objective function based on normalized retention difference product was the most adequate tool for optimization purposes.
authors.affiliation: Faculty of Chemical Engineering and Technology, University of Zagreb, Zagreb, Croatia. tomislav.bolanca@fkit.hr
authors.forename: Tomislav
authors.initials: T
authors.lastname: Bolanca
authors.forename: Stefica
authors.initials: S
authors.lastname: Cerjan-Stefanović
authors.forename: Melita
authors.initials: M
authors.lastname: Lusa
authors.forename: Sime
authors.initials: S
authors.lastname: Ukić
authors.forename: Marko
authors.initials: M
authors.lastname: Rogosić