Efficient separation of xylene isomers by using a robust calcium-based metal–organic framework through a synergetic thermodynamically and kinetically controlled mechanism

Lin, Yuhan; Zhang, Jian; Pandey, Haardik; Dong, Xinglong; Gong, Qihan; Wang, Hao; Yu, Liang; Zhou, Kang; Yu, Wei; Huang, Xiaoxi; Thonhauser, Timo; Han, Yu; Li, Jing

doi:10.1039/d1ta08055e

Title: Efficient separation of xylene isomers by using a robust calcium-based metal–organic framework through a synergetic thermodynamically and kinetically controlled mechanism

Journal Article · Mon Jan 04 00:00:00 EST 2021 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/d1ta08055e· OSTI ID:1863572

Lin, Yuhan ^[1]; Zhang, Jian ^[1];

^[2];

^[3]; Gong, Qihan ^[4];

^[1]; Yu, Liang ^[1]; Zhou, Kang ^[1]; Yu, Wei ^[1];

^[1];

^[2];

^[3];

^[5]

Shenzhen Polytechnic, Guangdong (China)
Wake Forest Univ., Winston-Salem, NC (United States)
King Abdullah Univ. of Science and Technology, Thuwal (Saudi Arabia)
PetroChina Petrochemical Research Inst., Beijing (China)
Rutgers Univ., Piscataway, NJ (United States); Shenzhen Polytechnic, Guangdong (China)

Adsorptive separation of physically and chemically similar molecules and understanding the underlying host–guest interactions at the molecular level are of significant scientific and practical importance. Here we report the development of a novel calcium-based metal–organic framework, formulated as Ca₃(Htcpp)₂ (H₄tcpp = 2,3,5,6-tetrakis(4-carboxyphenyl)-pyrazine) featuring microporosity and high stability. This compound shows distinct adsorption behavior toward xylene isomers and is capable of separating them efficiently at an industrially relevant temperature. The selective adsorption is attributed to a synergetic thermodynamic and kinetic effect. Here, the host–guest interactions were probed directly by single-crystal X-ray diffraction analysis and the adsorption affinity was evaluated through computational molecular simulations.

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Research Organization:: Wake Forest Univ., Winston-Salem, NC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019902

OSTI ID:: 1863572

Alternate ID(s):: OSTI ID: 1830864

Journal Information:: Journal of Materials Chemistry. A, Vol. 9, Issue 46; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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