Toward Faster Adsorbent Screening via the Multisite-Whittaker Approximation
Measurement of adsorption isotherms is a time-consuming process, which is required for screening adsorbents for various applications. We present a simple method for accurately predicting isotherms for temperatures within 50 K of a single measured isotherm, indeed making it possible to determine an e...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 41(2025), 32 vom: 19. Aug., Seite 21243-21251 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
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2025
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article |
| Zusammenfassung: | Measurement of adsorption isotherms is a time-consuming process, which is required for screening adsorbents for various applications. We present a simple method for accurately predicting isotherms for temperatures within 50 K of a single measured isotherm, indeed making it possible to determine an entire adsorption surface, that is, loading as a function of both temperature and pressure. The methodology is an expansion of the Tóth potential approach applied by Whittaker [Whittaker, P. B.; Wang, X.; Regenauer-Lieb, K.; and Chua, H. T. Predicting isosteric heats for gas adsorption. Physical Chemistry Chemical Physics 2013, 15, 473-482.] The implementation of such a theory has been deployed in the open-source adsorption processing software pyGAPS in order to improve reproducibility |
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| Beschreibung: | Date Revised 23.08.2025 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1520-5827 |
| DOI: | 10.1021/acs.langmuir.5c01081 |