期刊
ACS APPLIED MATERIALS & INTERFACES
卷 -, 期 -, 页码 -出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsami.2c13905
关键词
Al-based metal-organic framework; CAU-11; separation of ethane; ethylene; ethane-selective adsorbent; computational screening
资金
- Korea Research Institute of Chemical Technology (KRICT) [SI2212-20]
The development of a highly efficient ethane-selective adsorbent for the separation of ethane/ethylene gas mixtures has been studied. The adsorbent showed various advantageous properties and demonstrated excellent separation ability in experiments.
The development of a high-performance ethane (C2H6)-selective adsorbent for the separation of ethane/ethylene (C2H6/C2H4) gas mixtures has been investigated for high-efficiency adsorption-based gas separation. Herein, we investigated Al-based metal-organic frameworks (MOFs) to identify an efficient C2H6- selective adsorbent (CAU-11), supported by a computational simulation study. CAU-11 exhibited numerous advantageous properties (such as low material cost, structural robustness, high reaction yield, and high C2H6/C(2)H(4 )selectivity) compared to other Al-based MOFs, indicating immense potential as a C2H6-selective adsorbent. CAU-11 exhibited preferential C(2)H(6 )adsorption in single-component gas adsorption experiments, and its predicted ideal adsorption solution theory selectivity of C2H6/C(2)H(4 )was over 2.1, consistent with the simulation analysis. Dynamic breakthrough experiments using representative compositions of the C2H6/C2H4 gas mixture confirmed the excellent separation ability of CAU-11; it produced high-purity C2H4 (> 99.95%) with productivity values of 0.79 and 2.02 mol L-1 while repeating the cyclic experiment with 1:1 and 1:15 v/v C2H6/C2H4 gas mixtures, respectively, at 298 K and 1 bar. The high C2H6/C2H4 separation ability of CAU-11 could be attributed to its non-polar pore environment and optimum pore dimensions which strengthen the interaction of its pores (via C-H...pi interactions) with C(2)H(6)to a greater extent than with C2H4 .
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