化工新型材料

化工新型材料 ›› 2023, Vol. 51 ›› Issue (10) : 221-224. DOI: 10.19817/j.cnki.issn1006-3536.2023.10.042

科学研究

阴离子柱杂化金属有机骨架材料对N₂/CO₂的吸附与分离性能研究

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Study on the adsorption and separation performance of anionic column hybrid metal-organic framework materials for N₂/CO₂

Liu Xiuying¹, Chen Hao¹, Yuan Junpeng², Yu Jingxin¹, Li Xiaodong¹

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Received		Published
2022-04-21		2023-10-20
Issue Date	Revised Date
2023-10-27	2022-04-21

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摘要

通过巨正则蒙特卡洛(GCMC)模拟方法,研究了具有不同结构的6种阴离子柱杂化的金属有机骨架材料(AP-MOFs)对N₂/CO₂的吸附与分离性能。主要研究了这6种AP-MOFs材料分别对N₂、CO₂的单组分吸附、N₂和CO₂的二元等摩尔混合气体吸附,以及N₂/CO₂的分离性能。通过AP-MOFs对N₂、CO₂的单组分吸附性能研究发现,非互穿结构比互穿结构更有利于N₂、CO₂的吸附。通过N₂/CO₂的二元等摩尔混合吸附性能研究发现,拥有较高CO₂吸附热的非互穿结构(SIFSIX-3-Cd)具有更优异的分离性能。综上所述,具有互穿结构的AP-MOFs材料有利于CO₂的吸附,而非互穿结构的AP-MOF则有利于CO₂/N₂分离。

Abstract

Using Grand Canonical Monte Carlo (GCMC) simulation method,the adsorption and separation properties of six anionic column hybrid metal-organic framework materials (AP-MOFs) with various structures for N₂/CO₂ were investigated.The study mainly focused on the single component adsorption of N₂ and CO₂,the binary equimolar mixed gas adsorption of N₂/CO₂ and the separation performance of N₂/CO₂ by these AP-MOFs.According to the investigation on the single component adsorption of AP-MOFs for N₂ and CO₂,respectively,it was found that the non-interpenetrating structure was more favorable for the adsorption of N₂ and CO₂ than the interpenetrating structure.The study on the adsorption performance of binary equimolar gas mixture of N₂/CO₂ revealed that the non-interpenetrating structure (SIFSIX-3-Cd) with higher CO₂ adsorption heat had better separation performance.To sum up,the AP-MOFs material with interpenetrating structure was more suitable for CO₂ adsorption,while the AP-MOFs with non-interpenetrating structure was conducive to the separation of CO₂/N₂.

关键词

阴离子柱杂化金属有机骨架 / 二氧化碳 / 氮气 / 吸附 / 分离

Key words

anionic column hybrid metal-organic framework / carbon dioxide / nitrogen / adsorption / separation

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阴离子柱杂化金属有机骨架材料对N₂/CO₂的吸附与分离性能研究[J]. 化工新型材料, 2023, 51(10): 221-224 DOI:10.19817/j.cnki.issn1006-3536.2023.10.042

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