Abstract
The features of the electronic structure of Matrimid, which are important for assessing the sorption ability of the specified polymer as a membrane material, are considered. Using the density functional theory, the charge states of sorption centers in the Matrimid are calculated. The most probable polymer atoms responsible for nonvalent interactions of polar molecules of gases or liquids when passing through membranes based on this polymer are investigated.
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The studies were carried out using the equipment of the Computing Center of St. Petersburg State University. This work was financially supported by the Russian Science Foundation, grant no. 16-13-10164.
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Petrov, A.V., Toikka, A.M. Charge States of Sorption Centers in Matrimid. Glass Phys Chem 46, 186–188 (2020). https://doi.org/10.1134/S1087659620020091
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DOI: https://doi.org/10.1134/S1087659620020091