The analysis of empirical sorption equilibrium datasets is still vital to gain insights into
material–property relationships as computational methods remain in development, especially for
complex materials such as flexible MOFs. Therefore, the Dubinin-based universal adsorption theory
(D-UAT) was revisited and evaluated as a simple visualization, analysis, and prediction tool for
sorption equilibrium data. Within the theory, gas properties are normalized into corresponding
states using the critical temperatures of the respective sorptives. The study shows theoretically and
experimentally that the D-UAT is able to condense differences of sorption data visualized in reduced
Dubinin plots to just three governing parameters: (a) the accessible pore volume, (b) the reduced
enthalpy of sorption, and (c) the framework’s reduced free energy differences (in case of flexible
behavior). This makes the theory a fast visualization and analysis tool, the use as a prediction tool
depends on rough assumptions, and thus is not recommended.
| Identifer | oai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:87762 |
| Date | 27 October 2023 |
| Creators | Preißler-Kurzhöfer, Hannes, Lange, Marcus, Kolesnikov, Andrei, Möllmer, Jens, Erhart, Oliver, Kobalz, Merten, Krautscheid, Harald, Gläser, Roger |
| Publisher | MDPI |
| Source Sets | Hochschulschriftenserver (HSSS) der SLUB Dresden |
| Language | English |
| Detected Language | English |
| Type | info:eu-repo/semantics/publishedVersion, doc-type:article, info:eu-repo/semantics/article, doc-type:Text |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | 2415 |
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