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Model-based design of experiments for adsorption isotherms

Henninger, Matthias; Postweiler, Patrik; Engelpracht, Mirko; Galvanin, Federico; Bardow, André; (2025) Model-based design of experiments for adsorption isotherms. Adsorption , 31 (8) , Article 103. 10.1007/s10450-025-00653-0. Green open access

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Abstract

Designing adsorption processes requires knowledge of the adsorption isotherms. Measuring accurate isotherms is time consuming and inefficient equidistant points are usually chosen. Here, we combine isotherm measurements with Model-Based Design of Experiments to iteratively determine isotherm models with less experimental effort, while maintaining high model accuracy. Our joint approach combining isotherm model discrimination and parameter precision is validated by thermo-gravimetric experiments for the adsorption pairs Lewatit VP OC 1065 with $$\textrm{CO}_2$$ and $$\textrm{H}_2\textrm{O}$$ and BAM-P109 with $$\textrm{H}_2\textrm{O}$$ , covering isotherm Types I, III, and V. Results show that the experimental effort could be reduced between 70–81%. Furthermore, the framework scheduled measurements for Lewatit VP OC 1065/ $$\textrm{H}_2\textrm{O}$$ to discriminate its isotherm Type between II or III, devoid of our bias as experimenters. Overall, our approach demonstrates potential to streamline the identification of adsorption isotherms while enabling more efficient and unbiased model development.

Type: Article
Title: Model-based design of experiments for adsorption isotherms
Open access status: An open access version is available from UCL Discovery
DOI: 10.1007/s10450-025-00653-0
Publisher version: https://doi.org/10.1007/s10450-025-00653-0
Language: English
Additional information: Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.
Keywords: Lewatit VP OC 1065 · BAM-P109 · CO2 · H2O · Magnetic suspension balance measurements · Experimental validation · Parameter estimation
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
URI: https://discovery.ucl.ac.uk/id/eprint/10216267
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