Hydrogen-bonded metal-nucleobase frameworks for highly selective capture of ethane/propane from methane and methane/nitrogen separation

The separation of light hydrocarbons, including C 2 H 6 and C 3 H 8 , is essential to natural gas upgrading. Meanwhile, N 2 removal from CH 4 is also crucial to concentrating low-quality coalbed methane, but the adsorption process is challenging because of the close kinetic diameter. This work repor...

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Published in:Nano research 2022-08, Vol.15 (8), p.7695-7702
Main Authors: Liu, Ying, Xu, Qianqian, Chen, Lihang, Song, Changhua, Yang, Qiwei, Zhang, Zhiguo, Lu, Dan, Yang, Yiwen, Ren, Qilong, Bao, Zongbi
Format: Article
Language:English
Subjects:
Adsorption
Anions
Atomic/Molecular Structure and Spectra
Biomedicine
Biotechnology
Chemistry and Materials Science
Coalbed methane
Condensed Matter Physics
Density functional theory
Ethane
Gas mixtures
Hydrogen bonding
Low pressure
Materials Science
Methane
Nanotechnology
Natural gas
Polarizability
Research Article
Selectivity
Separation
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Summary:The separation of light hydrocarbons, including C 2 H 6 and C 3 H 8 , is essential to natural gas upgrading. Meanwhile, N 2 removal from CH 4 is also crucial to concentrating low-quality coalbed methane, but the adsorption process is challenging because of the close kinetic diameter. This work reports two hydrogen-bonded metal-nucleobase frameworks (HOF-ZJU-201 and HOF-ZJU-202) capable of efficiently separating C 3 H 8 /CH 4 , C 2 H 6 /CH 4 , and CH 4 /N 2 . Due to strong affinity for C 3 H 8 and C 2 H 6 , the low-pressure capacity for C 3 H 8 (5 kPa) and C 2 H 6 (10 kPa) of HOF-ZJU-201a exceeds most adsorbents. The ideal adsorbed solution theory (IAST) selectivity of C 3 H 8 /CH 4 and C 2 H 6 /CH 4 is 119 and 45 at ambient conditions. According to density functional theory calculations, surface polarization environments formed by electron-rich anions and electron-deficient purine heterocyclic rings contribute to the selective capture of C 3 H 8 and C 2 H 6 with greater polarizability. Furthermore, the high CH 4 adsorption capacity (1.73 mmol/g for HOF-ZJU-201a and 1.50 mmol/g for HOF-ZJU-202a at 298 K and 1.0 bar) and excellent CH 4 /N 2 selectivity (6.0 for HOF-ZJU-201 at 298 K), as well as dynamic breakthrough experiments of binary CH 4 /N 2 gas mixture implied their efficacy in the concentration of low-quality coalbed methane.
ISSN:1998-0124
1998-0000
DOI:10.1007/s12274-022-4352-0