Efficient separation of xylene isomers by using a robust calcium-based metal–organic framework through a synergetic thermodynamically and kinetically controlled mechanism
Abstract
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.
- Authors:
-
[2];
[3];
[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)
- Publication Date:
- Research Org.:
- Wake Forest Univ., Winston-Salem, NC (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1863572
- Alternate Identifier(s):
- OSTI ID: 1830864
- Grant/Contract Number:
- SC0019902
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Materials Chemistry. A
- Additional Journal Information:
- Journal Volume: 9; Journal Issue: 46; Journal ID: ISSN 2050-7488
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Lin, Yuhan, Zhang, Jian, Pandey, Haardik, Dong, Xinglong, Gong, Qihan, Wang, Hao, Yu, Liang, Zhou, Kang, Yu, Wei, Huang, Xiaoxi, Thonhauser, Timo, Han, Yu, and Li, Jing. Efficient separation of xylene isomers by using a robust calcium-based metal–organic framework through a synergetic thermodynamically and kinetically controlled mechanism. United States: N. p., 2021.
Web. doi:10.1039/d1ta08055e.
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. Efficient separation of xylene isomers by using a robust calcium-based metal–organic framework through a synergetic thermodynamically and kinetically controlled mechanism. United States. https://doi.org/10.1039/d1ta08055e
Lin, Yuhan, Zhang, Jian, Pandey, Haardik, Dong, Xinglong, Gong, Qihan, Wang, Hao, Yu, Liang, Zhou, Kang, Yu, Wei, Huang, Xiaoxi, Thonhauser, Timo, Han, Yu, and Li, Jing. Mon .
"Efficient separation of xylene isomers by using a robust calcium-based metal–organic framework through a synergetic thermodynamically and kinetically controlled mechanism". United States. https://doi.org/10.1039/d1ta08055e. https://www.osti.gov/servlets/purl/1863572.
@article{osti_1863572,
title = {Efficient separation of xylene isomers by using a robust calcium-based metal–organic framework through a synergetic thermodynamically and kinetically controlled mechanism},
author = {Lin, Yuhan and Zhang, Jian and Pandey, Haardik and Dong, Xinglong and Gong, Qihan and Wang, Hao and Yu, Liang and Zhou, Kang and Yu, Wei and Huang, Xiaoxi and Thonhauser, Timo and Han, Yu and Li, Jing},
abstractNote = {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.},
doi = {10.1039/d1ta08055e},
journal = {Journal of Materials Chemistry. A},
number = 46,
volume = 9,
place = {United States},
year = {Mon Jan 04 00:00:00 EST 2021},
month = {Mon Jan 04 00:00:00 EST 2021}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Highly Selective, High‐Capacity Separation of o ‐Xylene from C 8 Aromatics by a Switching Adsorbent Layered Material
journal, May 2019
- Wang, Shi‐Qiang; Mukherjee, Soumya; Patyk‐Kaźmierczak, Ewa
- Angewandte Chemie International Edition, Vol. 58, Issue 20
Efficient separation of xylene isomers by a guest-responsive metal–organic framework with rotational anionic sites
journal, October 2020
- Cui, Xili; Niu, Zheng; Shan, Chuan
- Nature Communications, Vol. 11, Issue 1
Calcium‐Based Metal–Organic Frameworks and Their Potential Applications
journal, November 2020
- Xian, Shikai; Lin, Yuhan; Wang, Hao
- Small, Vol. 17, Issue 22
Designer Metal–Organic Frameworks for Size‐Exclusion‐Based Hydrocarbon Separations: Progress and Challenges
journal, July 2020
- Wang, Hao; Liu, Yunling; Li, Jing
- Advanced Materials, Vol. 32, Issue 44
Five new Cd(II) coordination polymers constructed from 4,4′-(hydroxyphosphoryl)dibenzoic acid and N-donor pyridine ligands
journal, January 2019
- Mo, Jin-Ping; Bigdeli, Fahime; Ying, Yue
- Polyhedron, Vol. 158
Potential of microporous metal–organic frameworks for separation of hydrocarbon mixtures
journal, January 2016
- Bao, Zongbi; Chang, Ganggang; Xing, Huabin
- Energy & Environmental Science, Vol. 9, Issue 12
Liquid-Phase Adsorption and Separation of Xylene Isomers by the Flexible Porous Metal–Organic Framework MIL-53(Fe)
journal, July 2012
- El Osta, Racha; Carlin-Sinclair, Abel; Guillou, Nathalie
- Chemistry of Materials, Vol. 24, Issue 14
Efficient adsorption separation of xylene isomers using a facilely fabricated cyclodextrin-based metal-organic framework: Efficient adsorption separation of xylene isomers
journal, May 2018
- Chen, Le; Zhu, Dan-Dan; Ji, Guo-Jian
- Journal of Chemical Technology & Biotechnology, Vol. 93, Issue 10
A novel microporous MOF with the capability of selective adsorption of xylenes
journal, January 2010
- Jin, Zhao; Zhao, Huan-Yu; Zhao, Xiao-Jun
- Chemical Communications, Vol. 46, Issue 45
Metal-organic framework MIL-53(Cr) as a superior adsorbent: Highly efficient separation of xylene isomers in liquid phase
journal, September 2019
- He, Zhenjiang; Yang, Yuxi; Bai, Peng
- Journal of Industrial and Engineering Chemistry, Vol. 77
Two porous metal–organic frameworks containing zinc–calcium clusters and calcium cluster chains
journal, January 2014
- Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong
- CrystEngComm, Vol. 16, Issue 37
Seven chemical separations to change the world
journal, April 2016
- Sholl, David S.; Lively, Ryan P.
- Nature, Vol. 532, Issue 7600
Refinement of pore size at sub-angstrom precision in robust metal–organic frameworks for separation of xylenes
journal, August 2020
- Li, Xiaolin; Wang, Juehua; Bai, Nannan
- Nature Communications, Vol. 11, Issue 1
Selective gas adsorption and separation in metal–organic frameworks
journal, January 2009
- Li, Jian-Rong; Kuppler, Ryan J.; Zhou, Hong-Cai
- Chemical Society Reviews, Vol. 38, Issue 5, p. 1477-1504
Flexibility of Metal-Organic Framework Tunable by Crystal Size at the Micrometer to Submillimeter Scale for Efficient Xylene Isomer Separation
journal, October 2019
- Yang, Xiao; Zhou, Hao-Long; He, Chun-Ting
- Research, Vol. 2019
The Chemistry and Applications of Metal-Organic Frameworks
journal, August 2013
- Furukawa, H.; Cordova, K. E.; O'Keeffe, M.
- Science, Vol. 341, Issue 6149, p. 1230444-1230444
One-of-a-kind: a microporous metal–organic framework capable of adsorptive separation of linear, mono- and di-branched alkane isomers via temperature- and adsorbate-dependent molecular sieving
journal, January 2018
- Wang, Hao; Dong, Xinglong; Velasco, Ever
- Energy & Environmental Science, Vol. 11, Issue 5
Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal–Organic Framework
journal, May 2015
- Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis
- Journal of the American Chemical Society, Vol. 137, Issue 22
Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal–Organic Frameworks
journal, February 2018
- Gonzalez, Miguel I.; Kapelewski, Matthew T.; Bloch, Eric D.
- Journal of the American Chemical Society, Vol. 140, Issue 9
Gas/vapour separation using ultra-microporous metal–organic frameworks: insights into the structure/separation relationship
journal, January 2017
- Adil, Karim; Belmabkhout, Youssef; Pillai, Renjith S.
- Chemical Society Reviews, Vol. 46, Issue 11