化工新型材料

化工新型材料 ›› 2026, Vol. 54 ›› Issue (3) : 191-198. DOI: 10.19817/j.cnki.issn1006-3536.2026.03.022

科学研究

用于SF₆/N₂吸附分离的硝基功能化Cu-IPA(-NO₂)的合成及其性能研究

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Synthesis and performance study of nitro-functionalized Cu-IPA(-NO₂) for adsorptive separation of SF₆/N₂

Cui Yong¹, Zhang Hongbin¹, Jin Changshuang¹, Shao Yang¹, Li Yunli¹, Zhao Yingzhe², Li Zheng², Wang Song³

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Received		Published
2025-03-27		2026-03-20
Issue Date	Revised Date
2026-03-16	2025-03-27

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摘要

SF₆的回收利用是促进电力行业绿色节能转型的重要途径。通过超声辅助法,利用高极性的-NO₂修饰孔道,制备了一种对SF₆具有高选择吸附性能的笼目型(kagome)硝基功能化金属有机框架(MOFs)材料Cu-IPA(-NO₂)。采用XRD、SEM等方式对Cu-IPA(-NO₂)的微观结构进行分析和表征;通过单组分吸附实验分析了Cu-IPA(-NO₂)的开门效应对吸附量的影响;通过动态突破实验模拟实际SF₆/N₂分离性能;利用密度泛函理论(DFT)揭示了材料对SF₆的选择性吸附机理。结果表明,Cu-IPA(-NO₂)材料具有较高的结晶度,在0.3bar(1bar=10⁵Pa)开门压力下SF₆的吸附量提高,1bar时吸附量达到41cm³/g(N₂为1.2cm³/g);SF₆和N₂存在600s/g的穿透时间差;SF₆的结合能(-581.39kJ/mol)远低于N₂的结合能(-2.44kJ/mol),多吸附位点协同强化了框架对SF₆的作用力,表现出良好的选择性吸附性能。

Abstract

The recycling of SF₆ represents a critical pathway for advancing the green and energy-efficient transformation of the power industry.This study prepared a nitro-functionalized kagome-type metal-organic framework (MOFs),Cu-IPA(-NO₂),through an ultrasound-assisted method employing highly polar-NO₂-modified channels,which demonstrated superior selective adsorption performance toward SF₆.The microstructure of Cu-IPA(-NO₂) was systematically characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM).Single-component adsorption experiments elucidated the influence of the gate-opening effect on adsorption capacity,while dynamic breakthrough experiments simulated practical SF₆/N₂ separation performance.Density functional theory (DFT) was employed to further unravel the selective adsorption mechanism of SF₆ by Cu-IPA(-NO₂).Results indicated that the Cu-IPA(-NO₂) exhibited high crystallinity,with SF₆ adsorption capacity enhanced at a gate-opening pressure of 0.3bar and reaching 41cm³/g at 1 bar (compared to 1.2cm³/g for N₂).A pronounced breakthrough time difference of 600s/g was observed between SF₆ and N₂.Notably,and the binding energy of SF₆(-581.39kJ/mol) was substantially lower than that of N₂(-2.44kJ/mol),with synergistic interactions at multiple adsorption sites reinforcing framework-SF₆ affinity,thereby demonstrating exceptional selective adsorption capabilities.

关键词

金属-有机骨架 / 六氟化硫 / 开门效应 / 选择性吸附 / 吸附机理

Key words

metal-organic frameworks / sulfur hexafluoride / door-opening effect / selective adsorption / adsorption mechanism

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用于SF₆/N₂吸附分离的硝基功能化Cu-IPA(-NO₂)的合成及其性能研究[J]. 化工新型材料, 2026, 54(3): 191-198 DOI:10.19817/j.cnki.issn1006-3536.2026.03.022

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