The effect of gme topology on multicomponent adsorption in zeolitic imidazolate frameworks
作者： Anastasios Gotzias
DOI: 10.1039/C6CP06036F
关键词: Raman spectroscopy 、 Imidazolate 、 Ternary operation 、 Crystal 、 Zeolitic imidazolate framework 、 Inorganic chemistry 、 Langmuir adsorption model 、 Chemical physics 、 Microporous material 、 Chemistry 、 Adsorption
摘要: We employ a simulation approach to study the adsorption of single, binary and ternary mixtures on eight gme Zeolitic Imidazolate Frameworks (ZIFs) at 298 K. Four adsorbate fluids were considered; carbon dioxide, methane, nitrogen water. compute high pressure density profiles inside micropore channels each crystal. The are compared directly for different structures components used highlight influence imidazolate ligands pure competitive adsorption. ZIFs with long reveal an additional, accessible fluid space detected first time. This is wedged volume one direction pore walls, shaped thus because tilt in order be connected. estimate required water become dominating competing within crystal cavities. simulated data CO2 ZIF69 strongly correlate set Raman spectroscopy intensity values that correspond same adsorbate–adsorbent system.
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