A Zn(ii) pillared-layer ultramicroporous metal–organic framework with matching molecular pockets for C2H2/CO2 separation†

IF 3.2 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Molecular Systems Design & Engineering Pub Date : 2024-05-31 DOI:10.1039/D4ME00066H

Rong Yang, Yu Wang, Tao Zhang, Zhen Xu, Jian-Wei Cao and Kai-Jie Chen

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Abstract

Similar sizes and boiling points of acetylene (C₂H₂) and carbon dioxide (CO₂) make CO₂ separation from C₂H₂/CO₂ mixtures challenging. In this work, a pillared-layer ultramicroporous Zn-mipa-datz material featuring a C₂H₂-matching cavity was successfully prepared to achieve high-efficiency C₂H₂/CO₂ separation. The separation performance of Zn-mipa-datz on C₂H₂/CO₂ mixtures was investigated through gas adsorption isotherms and dynamic breakthrough experiments. Zn-mipa-datz possessed high C₂H₂ separation efficiency for C₂H₂/CO₂ mixtures. The molecular simulation demonstrated that the strong C₂H₂–host interaction was achieved by the synergistic effect of C–N electrostatic interactions and C–H⋯N H bonds.

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具有匹配分子口袋的 Zn(II) 柱状层超微多孔金属有机框架，用于分离 C2H2/CO2

乙炔（C2H2）和二氧化碳（CO2）的尺寸和沸点相似，这使得从 C2H2/CO2 混合物中分离二氧化碳具有挑战性。本研究成功制备了一种具有 C2H2 匹配空腔的层状超微孔 Zn-mipa-datz 材料，以实现 C2H2/CO2 的高效分离。通过气体吸附等温线和动态突破实验研究了 Zn-mipa-datz 对 C2H2/CO2 混合物的分离性能。Zn-mipa-datz 在 C2H2/CO2 混合物中具有很高的 C2H2 分离效率。分子模拟表明，C-N 静电作用和 C-H-N H 键的协同效应实现了强大的 C2H2-宿主相互作用。

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来源期刊

Molecular Systems Design & Engineering Engineering-Biomedical Engineering

CiteScore

6.40

自引率

2.80%

发文量

144

期刊介绍： Molecular Systems Design & Engineering provides a hub for cutting-edge research into how understanding of molecular properties, behaviour and interactions can be used to design and assemble better materials, systems, and processes to achieve specific functions. These may have applications of technological significance and help address global challenges.