Model-Based Design of Experiments for adsorption isotherms

Model-Based Design of Experiments for adsorption isotherms | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Article Model-Based Design of Experiments for adsorption isotherms Matthias Henninger, Patrik Postweiler, Mirko Engelpracht, Federico Galvanin, and 1 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6765590/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 26 Oct, 2025 Read the published version in Adsorption → Version 1 posted 9 You are reading this latest preprint version 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 CO2 and H2O and BAM-P109 with H2O, covering isotherm Types I, III, and V. Results show that the experimental effort couldbe reduced between 70 %–81 %. Furthermore, the framework scheduled measurements for Lewatit VP OC 1065/H2O 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. Lewatit VP OC 1065 BAM-P109 CO2 H2O magnetic suspension balance measurements experimental validation parameter estimation Full Text Additional Declarations No competing interests reported. Supplementary Files SupplementaryInformation.pdf PythonCodeMBDoAE.zip MeasurementData.xlsx Cite Share Download PDF Status: Published Journal Publication published 26 Oct, 2025 Read the published version in Adsorption → Version 1 posted Editorial decision: Revision requested 14 Jul, 2025 Reviews received at journal 12 Jul, 2025 Reviews received at journal 17 Jun, 2025 Reviewers agreed at journal 08 Jun, 2025 Reviewers agreed at journal 02 Jun, 2025 Reviewers invited by journal 02 Jun, 2025 Editor assigned by journal 29 May, 2025 Submission checks completed at journal 29 May, 2025 First submitted to journal 28 May, 2025 You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. 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