title: Choice of Model for Estimation of Adsorption Isotherm Parameters in Gradient Elution Preparative Liquid Chromatography.
abstract: The inverse method is a numerical method for fast estimation of adsorption isotherm parameters directly from a few overloaded elution profiles and it was recently extended to adsorption isotherm acquisition in gradient elution conditions. However, the inverse method in gradient elution is cumbersome due to the complex adsorption isotherm models found in gradient elution. In this case, physicochemically correct adsorption models have very long calculation times. The aim of this study is to investigate the possibility of using a less complex adsorption isotherm model, with fewer adjustable parameters, but with preserved/acceptable predictive abilities. We found that equal or better agreement between experimental and predicted elution profiles could be achieved with less complex models. By being able to select a model with fewer adjustable parameters, the calculation times can be reduced by at least a factor of 10.
authors.affiliation: Department of Chemical and Process Engineering, Rzeszów University of Technology, 35 959 Rzeszów, Poland.
authors.forename: Marek
authors.initials: M
authors.lastname: Leśko
authors.affiliation: Department of Engineering and Chemical Sciences, INTERACT, Karlstad University, 651 88 Karlstad, Sweden.
authors.forename: Dennis
authors.initials: D
authors.lastname: Åsberg
authors.affiliation: Department of Engineering and Chemical Sciences, INTERACT, Karlstad University, 651 88 Karlstad, Sweden.
authors.forename: Martin
authors.initials: M
authors.lastname: Enmark
authors.affiliation: Department of Engineering and Chemical Sciences, INTERACT, Karlstad University, 651 88 Karlstad, Sweden.
authors.forename: Jörgen
authors.initials: J
authors.lastname: Samuelsson
authors.affiliation: Department of Engineering and Chemical Sciences, INTERACT, Karlstad University, 651 88 Karlstad, Sweden.
authors.forename: Torgny
authors.initials: T
authors.lastname: Fornstedt
authors.affiliation: Department of Chemical and Process Engineering, Rzeszów University of Technology, 35 959 Rzeszów, Poland.
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Kaczmarski
keywords: Adsorption isotherm; Gradient elution; Inverse method; Overloaded profiles