Adsorption and Dynamics in Hierarchical Metal–Organic Frameworks
Adsorption and Dynamics in Hierarchical Metal–Organic Frameworks
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DOI：
10.1021/jp500037z
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发表时间：
2014-03
影响因子：
3.7
通讯作者：
François Villemot;A. Galarneau;B. Coasne
中科院分区：
文献类型：
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作者：
François Villemot;A. Galarneau;B. Coasne
采用分子模拟方法研究了多级金属有机骨架中的吸附和动力学。分级多孔固体的模型是通过从Cu-BTC的晶体中雕刻出不同直径的中孔（模型A）或通过将Cu-BTC的微孔颗粒插入无定形二氧化硅中孔（模型B）来获得的。我们表明，在77 K的氮吸附等温线对应于模型A的固体可以被描述为一个线性组合的参考吸附等温线为纯微孔和介孔固体。相反，模型B的吸附等温线不能准确地描述为参考微孔和介孔吸附等温线的总和。插入的颗粒充当收缩部，其有助于使中孔内的液相成核，使得没有观察到毛细管冷凝滞后。氮吸附在77 K内的分层固体的孔隙度的动力学也进行了研究。Fickian政权是在长期的T...
Adsorption and dynamics in hierarchical metal–organic frameworks are investigated by means of molecular simulation. The models of hierarchical porous solids are obtained by carving mesopores of different diameters out of a crystal of Cu-BTC (model A) or by inserting a microporous particle of Cu-BTC in an amorphous silica mesopore (model B). We show that the nitrogen adsorption isotherms at 77 K for the solids corresponding to model A can be described as a linear combination of reference adsorption isotherms for pure microporous and mesoporous solids. In contrast, the adsorption isotherms for model B cannot be described accurately as a sum of reference microporous and mesoporous adsorption isotherms. The inserted particle acts as a constriction which helps nucleate the liquid phase within the mesopore so that no capillary condensation hysteresis is observed. The dynamics of nitrogen adsorbed at 77 K inside the porosity of the hierarchical solids is also investigated. The Fickian regime is reached at long t...