Choice of Model for Estimation of Adsorption Isotherm Parameters in Gradient Elution Preparative Liquid Chromatography
2015 (English)In: Chromatographia, ISSN 0009-5893, E-ISSN 1612-1112, Vol. 78, no 19-20, 1293-1297 p.Article in journal (Refereed) PublishedText
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.
Place, publisher, year, edition, pages
2015. Vol. 78, no 19-20, 1293-1297 p.
cycloheptanone; cyclohexanone; ketone; unclassified drug, adsorption; adsorption isotherm; Article; calculation; controlled study; elution; isotherm; liquid chromatography; model; physical chemistry; predictive value; priority journal; simulation; theory
Research subject Chemistry; Chemical Engineering
IdentifiersURN: urn:nbn:se:kau:diva-42370DOI: 10.1007/s10337-015-2949-0ScopusID: 2-s2.0-84942368375OAI: oai:DiVA.org:kau-42370DiVA: diva2:933729
FunderSwedish Research Council