使用巨正则蒙特卡罗方法(GCMC)对CH4和H2在3种具有不同结构的超微孔金属有机骨架(UM-MOFs)中的吸附与分离性能进行了研究。获得了这3种材料对CH4和H2分子的单组分吸附。通过分析它们对CH4/H2二元混合物的吸附数据,获得了相应的吸附选择性分布曲线,探索了UM-MOFs对CH4/H2分子的吸附与分离机理。
The adsorption and separation performance of CH4/H2 on three ultramicroporous metal organic frameworks (UM-MOFs) with different structures was investigated using the grand canonical monte carlo (GCMC) method.Single component CH4 or H2 molecules adsorption properties on UM-MOFs were obtained.The binary mixed adsorption properties of CH4 and H2 on UM-MOFs were analyzed,the adsorption selectivity distribution was obtained,and the adsorption and separation mechanism of CH4 and H2 on UM-MOFs was explored.
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