Issue 39, 2024

Functional group tuning of CAU-10(Al) for efficient C2H2 storage and C2H2/CO2 separation

Abstract

Adsorptive separation of acetylene (C2H2) from a C2H2/CO2 mixture has emerged as an alternative to replace cryogenic distillation to obtain high purity C2H2 in a safer manner. Al-based metal–organic frameworks, such as MIL-160 and CAU-10–NH2, have been reported as good acetylene adsorbents with high selectivity and high acetylene packing density. According to this, incorporation of hetero atoms in the MOF pore wall clearly has a positive impact on enhancing C2H2 capture performance. Nonetheless, a systematic evaluation of the role played by functional groups within the same MOF structure in their C2H2 sorption performance is still required. In this study, CAU-10 samples were prepared according to the functional group using Al metal ions and various functionalized organic linkers, including pristine terephthalate (–H) and its modified forms (–OH, –F, –NO2, –NH2, and –CH3) to investigate their C2H2 and CO2 adsorption properties. The C2H2/CO2 separation performance of the adsorbents was investigated using single gas adsorption isotherms and by application of the ideal adsorbed solution theory as well as dynamic breakthrough experiments for the gas mixture under dry and humid conditions. Interestingly, CAU-10–CH3 was demonstrated to exhibit a record high packing density of 543 g L−1 at 25 °C for acetylene, 2.8 times higher than the CO2 uptake at 1 bar. A breakthrough mixture experiment using CAU-10–CH3, and CAU-10–NH2 as comparative samples confirmed CAU-10–CH3 as a prominent candidate for acetylene selective adsorption under both dry and humid conditions. The microscopic origin of these attractive adsorption/separation performances was understood from density functional theory calculations and single component/binary mixture grand canonical Monte Carlo simulations.

Graphical abstract: Functional group tuning of CAU-10(Al) for efficient C2H2 storage and C2H2/CO2 separation

Supplementary files

Article information

Article type
Paper
Submitted
24 Apr 2024
Accepted
02 Sep 2024
First published
04 Sep 2024

J. Mater. Chem. A, 2024,12, 26502-26512

Functional group tuning of CAU-10(Al) for efficient C2H2 storage and C2H2/CO2 separation

E. W. Lee, B. S. Sran, A. Daouli, M. Salimov, J. W. Yoon, K. H. Cho, D. Jo, G. Maurin, S. Lee and U. Lee, J. Mater. Chem. A, 2024, 12, 26502 DOI: 10.1039/D4TA02821J

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