摘要
使用巨正则蒙特卡罗方法(GCMC)对CH_(4)和H_(2)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CH_(4)和H_(2)分子的单组分吸附。通过分析它们对CH_(4)/H_(2)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CH_(4)/H_(2)分子的吸附与分离机理。
The adsorption and separation performance of CH_(4)/H_(2)on three ultramicroporous metal organic frameworks(UM-MOFs)with different structures was investigated using the grand canonical monte carlo(GCMC)method.Single component CH_(4)or H_(2)molecules adsorption properties on UM-MOFs were obtained.The binary mixed adsorption properties of CH_(4)and H_(2)on UM-MOFs were analyzed,the adsorption selectivity distribution was obtained,and the adsorption and separation mechanism of CH_(4)and H_(2)on UM-MOFs was explored.
作者
刘秀英
袁俊鹏
李晓东
于景新
Liu Xiuying;Yuan Junpeng;Li Xiaodong;Yu Jingxin(College of Science,Henan University of Technology,Zhengzhou 450000)
出处
《化工新型材料》
CAS
CSCD
北大核心
2021年第2期178-181,186,共5页
New Chemical Materials
基金
国家自然科学基金(11304079、11404094和11504088)
河南省科技厅科技攻关项目(182102410076)
河南工业大学青年骨干教师专项基金项目(hngydx2014012)。
关键词
超微孔金属有机骨架
甲烷
氢气
吸附
分离
ultramicroporous metal organic frameworks
methane
hydrogen
adsorption
separation
