吸附
碳化
沸石咪唑盐骨架
微型多孔材料
比表面积
多孔性
碳纤维
介孔材料
氮气
化学工程
材料科学
粒径
活性炭
密度泛函理论
粒子(生态学)
金属有机骨架
化学
有机化学
计算化学
复合材料
催化作用
复合数
工程类
地质学
海洋学
作者
Jingting Qiu,Xiang Xu,Baogen Liu,Yang Guo,Huijun Wang,Lingyun Yu,Yu Jiang,Changsheng Huang,Binfeng Fan,Zheng Zeng,Liqing Li
标识
DOI:10.1002/slct.202203273
摘要
Abstract It's acknowledged that surface chemical and pore structure of adsorbent are main parameters to determine adsorption results. Herein, we prepared zeolitic imidazolate frameworks‐8 (ZIF‐8) with different average sizes (50, 120, and 2200 nm) and demonstrated their specific surface area and pore volume decreased with increasing particle size. ZIF‐8 (ZN) exhibits a large specific surface area (1626.4 m 2 g −1 ) and total pore volume (1.088 mL g −1 ), but it has been shown to lack the non‐specific adsorption capacity for the adsorbate. Carbonization at 800 °C is proved to be an effective method to expose massive surface nitrogen‐containing functional groups and adjust the aperture to an appropriate pore size range for derived porous carbon of ZIF‐8 (ZCN). High nitrogen content (18.7 at. %) greatly improves the affinity for CO 2 and Volatile Organic Compounds (VOCs), as explained by the density functional theory (DFT) calculation results. Meanwhile, particle size influences the pore‐forming results after carbonization directly. Among them, ZC50 generates a certain amount of narrow micropore in range of 0.7–1.0 nm, located in the optimal pore size range of CO 2 adsorption calculated by Grand canonical Monte Carlo (GCMC) simulation, thus possessing the largest CO 2 adsorption capacity (4.03 mmol g −1 at 25 °C). Besides, ZC120 exhibits more superior mesopore structure that could strengthen multilayer adsorption for VOCs.
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