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Selective Adsorption-Based Separation of Flue Gas and Natural Gas in Zirconium Metal-Organic Frameworks Nanocrystals

1
Tianjin Key Laboratory of Advanced Functional Porous Materials, Institute for New Energy Materials & Low-Carbon Technologies, Tianjin University of Technology, Tianjin 300384, China
2
School of Materials Science and Engineering, Tianjin University of Technology, Tianjin 300384, China
*
Authors to whom correspondence should be addressed.
Academic Editor: Takei Takahiro
Molecules 2019, 24(9), 1822; https://doi.org/10.3390/molecules24091822
Received: 6 May 2019 / Accepted: 8 May 2019 / Published: 11 May 2019
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Abstract

Carbon capture from flue gas and natural gas offers a green path to construct a net-zero emissions economic system. Selective adsorption-based gas separation by employing metal-organic frameworks (MOFs) is regarded as a promising technology due to the advantages of simple processing, easy regeneration and high efficiency. We synthesized two Zirconium MOFs (UiO-66 and UiO-66-NH2) nanocrystals for selective capture and further removal of CO2 from flue gas and natural gas. In particular, UiO-66-NH2 nanocrystals have a smaller grain size, a large amount of defects, and pending –NH2 groups inside their pores which display effective CO2 selective adsorption abilities over CH4 and N2 with the theoretical separation factors of 20 and 7. This breakthrough experiment further verified the selective adsorption-based separation process of natural gas and flue gas. In one further step, we used the Monte Carlo simulation to investigate the optimized adsorption sites and energy of CO2, N2 and CH4 molecules in the gas mixture. The significantly large adsorption energy of CO2 (0.32 eV) over N2 (0.19 eV) and N2 (0.2 eV) may help us to reveal the selective adsorption mechanism. View Full-Text
Keywords: UiO-66; carbon capture; gas separation; flue gas; methane UiO-66; carbon capture; gas separation; flue gas; methane
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Li, P.; Shen, Y.; Wang, D.; Chen, Y.; Zhao, Y. Selective Adsorption-Based Separation of Flue Gas and Natural Gas in Zirconium Metal-Organic Frameworks Nanocrystals. Molecules 2019, 24, 1822.

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