TY - JOUR
T1 - Efficient Xe/Kr separation on two Metal-Organic frameworks with distinct pore shapes
AU - Zhu, Zhenliang
AU - Li, Bei
AU - Liu, Xing
AU - Zhang, Peixin
AU - Chen, Shixia
AU - Deng, Qiang
AU - Zeng, Zheling
AU - Wang, Jun
AU - Deng, Shuguang
N1 - Funding Information:
This work was supported by the National Natural Science Foundation of China (No. 21908090) and the Natural Science Foundation of Jiangxi Province (No. 20192ACB21015).
Publisher Copyright:
© 2021 Elsevier B.V.
PY - 2021/11/1
Y1 - 2021/11/1
N2 - Adsorptive separation of xenon (Xe) from krypton (Kr) is challenging owing to their low concentrations and similar physical properties. Herein, we report two metal–organic frameworks (MOFs) assembled from the same aliphatic ligand (trans-1, 4-cyclohexanedicarboxylic acid, H2CDC), but showing distinct pore shapes. The rhombus pores on Al-CDC show a narrower pore aperture of 4.5 Å × 6.0 Å, contracting to the pseudo-square pores (5.8 Å × 6.8 Å) on Cu-CDC. As a result, Al-CDC exhibits a high Xe adsorption capacity (2.45 mmol g−1) and Xe/Kr selectivity (10.7) at 298 K and 1.0 bar. The confined pore space and abundant saturated C-H groups provide stronger van der Waals interactions toward Xe, which is disclosed by the Grand Canonical Monte Carlo (GCMC) and Density Functional Theory (DFT) calculations. Dynamic breakthrough experiments further confirm their industrial application potential and stable reusability.
AB - Adsorptive separation of xenon (Xe) from krypton (Kr) is challenging owing to their low concentrations and similar physical properties. Herein, we report two metal–organic frameworks (MOFs) assembled from the same aliphatic ligand (trans-1, 4-cyclohexanedicarboxylic acid, H2CDC), but showing distinct pore shapes. The rhombus pores on Al-CDC show a narrower pore aperture of 4.5 Å × 6.0 Å, contracting to the pseudo-square pores (5.8 Å × 6.8 Å) on Cu-CDC. As a result, Al-CDC exhibits a high Xe adsorption capacity (2.45 mmol g−1) and Xe/Kr selectivity (10.7) at 298 K and 1.0 bar. The confined pore space and abundant saturated C-H groups provide stronger van der Waals interactions toward Xe, which is disclosed by the Grand Canonical Monte Carlo (GCMC) and Density Functional Theory (DFT) calculations. Dynamic breakthrough experiments further confirm their industrial application potential and stable reusability.
KW - Adsorption
KW - Metal–organic frameworks
KW - Pore shapes
KW - Xe/Kr separation
UR - http://www.scopus.com/inward/record.url?scp=85107774980&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85107774980&partnerID=8YFLogxK
U2 - 10.1016/j.seppur.2021.119132
DO - 10.1016/j.seppur.2021.119132
M3 - Article
AN - SCOPUS:85107774980
SN - 1383-5866
VL - 274
JO - Separation and Purification Technology
JF - Separation and Purification Technology
M1 - 119132
ER -