分离(统计)
金属
化学
金属有机骨架
环境科学
计算机科学
有机化学
吸附
机器学习
作者
Yang Chen,Dongxiao Yang,Yi Wang,Qi Shi,Bo Tang,Chongqin Zhu,Jinping Li,Libo Li
出处
期刊:Fuel
[Elsevier]
日期:2024-07-01
卷期号:368: 131673-131673
标识
DOI:10.1016/j.fuel.2024.131673
摘要
Simultaneously capturing and separating high-purity C2H4 and C3H6 from cracked gas mixtures presents a significant challenge. Herein, a robust metal–organic framework (Cu(BF4)2(4-DPDS)2) was designed featuring a gourd-shaped one-dimensional channel. Its specific alkenes match structure can only adsorb alkenes while completely excluding alkanes. With a remarkable adsorption selectivity of 76,203 for equimolar C2H4/C2H6 and high selectivity of 159 for equimolar C3H6/C3H8, Cu(BF4)2(4-DPDS)2 not only achieves >99 % purity separation of C2H4 and C3H6 from binary mixtures but also simultaneously captures and separates these compounds from seven-component cracking gases at ambient conditions. Its performance stability remains intact even under 75 % RH conditions, thanks to its robust framework. Based on the particular gourd-shaped channel, it can also achieve efficient C2H2/CO2 separation. Ab initio Molecular Dynamics simulations demonstrate the dynamic diffusion process of gas molecules in the structure, and in situ infrared analyses reveal the framework's rich C-H•••F and S•••π binding sites with C2H4 and C3H6. This material's robust structure, exceptional alkene sieving capabilities, and repeatable separation performance comprehensively showcase Cu(BF4)2(4-DPDS)2 as a unique metal–organic framework for simultaneous recognition and capture of C2H4 and C3H6.
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