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Understanding the anomalous alkane selectivity of ZIF-7 in the separation of light alkane/alkene mixtures

机译:了解轻链烷烃/烯烃混合物分离中ZIF-7的异常烷烃选择性

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摘要

C2 and C3 alkanes are selectively adsorbed from mixtures over the corresponding alkenes on the zeolite imidazolate framework ZIF-7 through a gate-opening mechanism. As a result, the direct production of the pure alkene upon adsorption and the pure alkane upon desorption in packed columns is possible. Herein, a detailed investigation of the step-wise adsorption and separation of alkanes and alkenes is presented, together with a rigorous performance assessment. A molecular picture of the gate-opening mechanism underlying the unprecedented selectivity towards alkane adsorption is proposed based on DFT calculations and a thermodynamic analysis of the adsorption-desorption isotherms.
机译:通过开门机制,将C 2和C 3烷烃从混合物上的相应烯烃选择性吸附在沸石咪唑化物骨架ZIF-7上。结果,在填充塔中吸附时可以直接生产纯烯烃,而解吸时则可以直接生产纯烷烃。本文中,对烷烃和烯烃的逐步吸附和分离进行了详细的研究,并进行了严格的性能评估。基于DFT计算和吸附-解吸等温线的热力学分析,提出了对烷烃吸附具有前所未有的选择性的开门机理的分子图。

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