Development of Nix/Mg1–x-MOF-74 for Highly Efficient CO2/N2 Separation | Sciact - CRIS-system of Boreskov Institute of Catalysis

Development of Nix/Mg1–x-MOF-74 for Highly Efficient CO2/N2 Separation Full article

Journal

Journal of Fuel Chemistry and Technology
ISSN: 1872-5813

Output data

Year: 2024, Volume: 52, Number: 11, Pages: 1745-1758 Pages count : 14 DOI: 10.1016/s1872-5813(24)60464-0

Tags

CO2 capture; Mg-MOF-74; CO2/N2 separation; adsorption breakthrough curve; density functional theory

Authors

Zhang Xin ¹ , Li Guoqiang ² , Hong Mei ³ , Ban Hongyan ¹ , Yang Lixia ⁴ , Liu Xingchen ² , Li Feng ² , Matus Ekaterina Vladimirovna ⁵ , Li Congming ¹ , Li Lei ²

Affiliations

1	State Key Laboratory of Clean and Efficient Coal Utilization, College of Chemical Engineering and Technology, Taiyuan University of Technology, Taiyuan 030024, China
2	State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, China
3	University of Chinese Academy of Sciences, Beijing 100049, China
4	Synfuels China Inner Mongolia Co., Ltd., Ordos 010321, China
5	Boreskov Institute of Catalysis SB RAS, Novosibirsk 630090, Russia

Funding (6)

1	National Natural Science Foundation of China	U23A20100
2	Chinese Academy of Sciences	XDA0390404
3	Institute of Coal Chemistry, Chinese Academy of Sciences	SCJC-DT-2023-03
4	Institute of Coal Chemistry, Chinese Academy of Sciences	J24-25-619
5	Youth Innovation Promotion Association CAS	2018209
6	Youth Innovation Promotion Association CAS	2020179

To enhance the separation selectivity of Mg-MOF-74 towards CO2 in a CO2/N2 mixture, a series of Mg-MOF-74 and Nix/Mg1–x-MOF-74 adsorbents were prepared by solvothermal synthesis in this paper. It was found that the adsorption capacity of Mg-MOF-74 for CO2 could be effectively increased by optimizing the amount of acetic acid. On this basis, the bimetal MOF-74 adsorbent was prepared by metal modification. The multi-component dynamic adsorption penetration analysis was utilized to examine the CO2 adsorption capacity and CO2/N2 selectivity of the diverse adsorbent materials. The results showed that Ni0.11/Mg0.89-MOF-74 showed a CO2 adsorption capacity of 7.02 mmol/g under pure CO2 atmosphere and had a selectivity of 20.50 for CO2/N2 under 15% CO2/85% N2 conditions, which was 10.2% and 18.02% higher than that of Mg-MOF-74 respectively. Combining XPS, SEM and N2 adsorption-desorption characterization analysis, it was attributed to the effect of the more stable unsaturated metal sites Ni into the Mg-MOF-74 on the pore structure and the synergistic interaction between the two metals. Density Functional Theory (DFT) simulations revealed that the synergistic interaction between modulated the electrostatic potential strength and gradient of the material, which was more favorable for the adsorption of CO2 molecules with small diameters and large quadrupole moment. In addition, the Ni0.11/Mg0.89-MOF-74 showed commendable cyclic stability, underscoring its promising potential for practical applications.

Zhang X. , Li G. , Hong M. , Ban H. , Yang L. , Liu X. , Li F. , Matus E.V. , Li C. , Li L.
Development of Nix/Mg1–x-MOF-74 for Highly Efficient CO2/N2 Separation
Journal of Fuel Chemistry and Technology. 2024. V.52. N11. P.1745-1758. DOI: 10.1016/s1872-5813(24)60464-0 Scopus OpenAlex

Submitted:	Apr 22, 2024
Accepted:	May 20, 2024
Published print:	Nov 26, 2024
Published online:	Nov 26, 2024

Scopus:	2-s2.0-105000655547
OpenAlex:	W4404730282

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