Katsoulas, Konstantinos; Besenhard, Maximillian; Galvanin, Federico; Mazzei, Luca; Sorensen, Eva; (2024) Model-Based Design of Experiments for Isotherm Model Identification in Preparative HPLC. In: Manenti, Flavio and Reklaitis, GV Rex, (eds.) 34th European Symposium on Computer Aided Process Engineering /15th International Symposium on Process Systems Engineering: ESCAPE-34/PSE2024. (pp. p. 667). Elsevier: Amsterdam, The Netherlands.

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Abstract

Chromatography is a pivotal purification process widely used in the pharmaceutical and fine chemical industries. Design of such processes are increasingly based on the use of mathematical models, within which the isotherm model equation is crucial. Traditionally, the values of the parameters present in the isotherm model are obtained through extensive experimentation such as Frontal Analysis (FA). This study focuses on identifying suitable isotherm models, and accurate values for their parameters, using Model-Based Design of Experiments (MBDoE) based on curve-fitting rather than FA. The methodology involves screening potential isotherm models, assessing model identifiability, selecting the model, and refining the precision of the parameter values. We implemented the methodology in a case study, benchmarking the MBDoE refinement against the traditional approach of factorial designs.

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