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.

中文翻译：

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Matrimid吸附中心的充电状态

摘要

考虑了Matrimid的电子结构特征，这对于评估指定聚合物作为膜材料的吸附能力很重要。使用密度泛函理论，计算了Matrimid中吸附中心的电荷状态。研究了最有可能造成气体或液体极性分子通过基于该聚合物的膜的非价相互作用的聚合物原子。