Selective adsorption of SF6 in covalent- and metal-organic frameworks

doi:10.1016/j.cjche.2021.03.010

中国化学工程学报 ›› 2021, Vol. 39 ›› Issue (11): 88-95.DOI: 10.1016/j.cjche.2021.03.010

• Separation Science and Engineering • 上一篇下一篇

Selective adsorption of SF₆ in covalent- and metal-organic frameworks

Xianqiang Zheng¹, Yanlong Shen², Shitao Wang¹, Ke Huang², Dapeng Cao¹

1 State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China;
2 State Key Laboratory of Laser Interaction with Matter, Northwest Institute of Nuclear Technology, Xi’an 710024, China

收稿日期:2020-12-13 修回日期:2021-03-10 出版日期:2021-11-28 发布日期:2021-12-27
通讯作者: Shitao Wang, Dapeng Cao
基金资助:
We are greatly thankful to the support from the Open Fund of the State Key Laboratory of Laser Interaction with Matter (SKLLIM1710).

Selective adsorption of SF₆ in covalent- and metal-organic frameworks

Xianqiang Zheng¹, Yanlong Shen², Shitao Wang¹, Ke Huang², Dapeng Cao¹

1 State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China;
2 State Key Laboratory of Laser Interaction with Matter, Northwest Institute of Nuclear Technology, Xi’an 710024, China

Received:2020-12-13 Revised:2021-03-10 Online:2021-11-28 Published:2021-12-27
Contact: Shitao Wang, Dapeng Cao
Supported by:
We are greatly thankful to the support from the Open Fund of the State Key Laboratory of Laser Interaction with Matter (SKLLIM1710).

摘要/Abstract

摘要： Sulfur hexafluoride (SF₆) is an extremely severe greenhouse gas. It is an urgently important mission to find excellent candidates for selective adsorption of SF₆, in order to reduce the emission of SF₆ facilities. Here, we adopt the molecular simulation method to systematically explore the selective adsorption of SF₆ in 22 kinds of representative covalent-and metal-organic frameworks. Results indicate that COF-6 is a promising candidate for the SF₆ adsorption at low pressure P<20 kPa because of its small pore size, while MOF-180 and PAF-302 are excellent candidates at high pressure P=2×10³ kPa due to their large Brunauer-Emmett-Teller specific surface area (BET-SSA) and pore volumes. For the two cases of the power industry (X_SF₆=0.1) and the semiconductor industry (X_SF₆=0.002) environments, COF-6 and ZIF-8 are fairly promising candidates for selective adsorption of SF₆ from the SF₆/N₂ mixtures, because they not only present the high selectivity, but also the large adsorption capacity at ambient environment, which can be considered as potential adsorbents for selective adsorption of SF₆ at ambient conditions.

关键词: Sulfur hexafluoride (SF₆), Metal-organic frameworks, Molecular simulation, Covalent-organic frameworks, Adsorption, Separation

Abstract: Sulfur hexafluoride (SF₆) is an extremely severe greenhouse gas. It is an urgently important mission to find excellent candidates for selective adsorption of SF₆, in order to reduce the emission of SF₆ facilities. Here, we adopt the molecular simulation method to systematically explore the selective adsorption of SF₆ in 22 kinds of representative covalent-and metal-organic frameworks. Results indicate that COF-6 is a promising candidate for the SF₆ adsorption at low pressure P<20 kPa because of its small pore size, while MOF-180 and PAF-302 are excellent candidates at high pressure P=2×10³ kPa due to their large Brunauer-Emmett-Teller specific surface area (BET-SSA) and pore volumes. For the two cases of the power industry (X_SF₆=0.1) and the semiconductor industry (X_SF₆=0.002) environments, COF-6 and ZIF-8 are fairly promising candidates for selective adsorption of SF₆ from the SF₆/N₂ mixtures, because they not only present the high selectivity, but also the large adsorption capacity at ambient environment, which can be considered as potential adsorbents for selective adsorption of SF₆ at ambient conditions.

Key words: Sulfur hexafluoride (SF₆), Metal-organic frameworks, Molecular simulation, Covalent-organic frameworks, Adsorption, Separation

Xianqiang Zheng, Yanlong Shen, Shitao Wang, Ke Huang, Dapeng Cao. Selective adsorption of SF₆ in covalent- and metal-organic frameworks[J]. 中国化学工程学报, 2021, 39(11): 88-95.

Xianqiang Zheng, Yanlong Shen, Shitao Wang, Ke Huang, Dapeng Cao. Selective adsorption of SF₆ in covalent- and metal-organic frameworks[J]. Chinese Journal of Chemical Engineering, 2021, 39(11): 88-95.

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Selective adsorption of SF₆ in covalent- and metal-organic frameworks

Selective adsorption of SF₆ in covalent- and metal-organic frameworks

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