化学
乙炔
吸附
金属有机骨架
焓
蒙特卡罗方法
物理化学
热力学
有机化学
物理
数学
统计
作者
Yue Li,Xiaokang Wang,Xinlei Yang,Hongyan Liu,Xianyi Chai,Yutong Wang,Weidong Fan,Daofeng Sun
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2023-02-20
卷期号:62 (9): 3722-3726
被引量:14
标识
DOI:10.1021/acs.inorgchem.2c03236
摘要
The development of high-performance adsorbents is critical for the low-energy separation of acetylene. Herein, we synthesized an Fe-MOF (MOF, metal-organic framework) with U-shaped channels. The adsorption isotherms of C2H2, C2H4, and CO2 show that the adsorption capacity of acetylene is significantly larger than that of the other two gases. Meanwhile, the actual separation performance was verified by breakthrough experiments, indicating the potential to separate C2H2/CO2 and C2H2/C2H4 mixtures at normal temperatures. Grand Canonical Monte Carlo (GCMC) simulation demonstrates that the framework with U-shaped channels interacts more strongly with C2H2 than with C2H4 and CO2. The high C2H2 uptake and low adsorption enthalpy highlight Fe-MOF as a promising candidate for C2H2/CO2 separation with a low regeneration energy.
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