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Choice of Model for Estimation of Adsorption Isotherm Parameters in Gradient Elution Preparative Liquid Chromatography
Rzeszów University of Technology, Poland.
Karlstad University, Faculty of Health, Science and Technology (starting 2013), Department of Engineering and Chemical Sciences.
Karlstad University, Faculty of Health, Science and Technology (starting 2013), Department of Engineering and Chemical Sciences.
Karlstad University, Faculty of Health, Science and Technology (starting 2013), Department of Engineering and Chemical Sciences.ORCID iD: 0000-0003-1819-1709
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2015 (English)In: Chromatographia, ISSN 0009-5893, E-ISSN 1612-1112, Vol. 78, no 19-20, 1293-1297 p.Article in journal (Refereed) PublishedText
Abstract [en]

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.
Keyword [en]
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
National Category
Analytical Chemistry
Research subject
Chemistry; Chemical Engineering
Identifiers
URN: urn:nbn:se:kau:diva-42370DOI: 10.1007/s10337-015-2949-0ScopusID: 2-s2.0-84942368375OAI: oai:DiVA.org:kau-42370DiVA: diva2:933729
Funder
Swedish Research Council
Available from: 2016-06-07 Created: 2016-05-23 Last updated: 2016-06-07Bibliographically approved

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Ņsberg, DennisEnmark, MartinSamuelsson, JörgenFornstedt, Torgny
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Department of Engineering and Chemical Sciences
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