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Title: Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

Abstract

Effective separation of alkane isomers is a critical step in the petroleum refining process to produce gasoline with high octane rating. Current technology relies on energy intensive distillation method. Adsorptive separation using porous solids offers an alternative route that is more cost effective, lower energy and higher efficiency. Guided by topology-directed design and synthesis, we have developed a series of zirconium-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, Zr-bptc adsorbs a large amount of n-hexane while excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr-abtc, is capable of discriminating all three C6 isomers with a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is important for producing gasoline with further improved quality.

Authors:
; ORCiD logo; ; ORCiD logo; ; ; ORCiD logo; ; ; ; ; ORCiD logo; ; ; ; ORCiD logo;
Publication Date:
Research Org.:
Rutgers Univ., Piscataway, NJ (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1505257
Grant/Contract Number:  
FG02-08ER46491
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Wang, Hao, Dong, Xinglong, Lin, Junzhong, Teat, Simon J., Jensen, Stephanie, Cure, Jeremy, Alexandrov, Eugeny V., Xia, Qibin, Tan, Kui, Wang, Qining, Olson, David H., Proserpio, Davide M., Chabal, Yves J., Thonhauser, Timo, Sun, Junliang, Han, Yu, and Li, Jing. Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers. United States: N. p., 2018. Web. doi:10.1038/s41467-018-04152-5.
Wang, Hao, Dong, Xinglong, Lin, Junzhong, Teat, Simon J., Jensen, Stephanie, Cure, Jeremy, Alexandrov, Eugeny V., Xia, Qibin, Tan, Kui, Wang, Qining, Olson, David H., Proserpio, Davide M., Chabal, Yves J., Thonhauser, Timo, Sun, Junliang, Han, Yu, & Li, Jing. Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers. United States. doi:10.1038/s41467-018-04152-5.
Wang, Hao, Dong, Xinglong, Lin, Junzhong, Teat, Simon J., Jensen, Stephanie, Cure, Jeremy, Alexandrov, Eugeny V., Xia, Qibin, Tan, Kui, Wang, Qining, Olson, David H., Proserpio, Davide M., Chabal, Yves J., Thonhauser, Timo, Sun, Junliang, Han, Yu, and Li, Jing. Tue . "Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers". United States. doi:10.1038/s41467-018-04152-5. https://www.osti.gov/servlets/purl/1505257.
@article{osti_1505257,
title = {Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers},
author = {Wang, Hao and Dong, Xinglong and Lin, Junzhong and Teat, Simon J. and Jensen, Stephanie and Cure, Jeremy and Alexandrov, Eugeny V. and Xia, Qibin and Tan, Kui and Wang, Qining and Olson, David H. and Proserpio, Davide M. and Chabal, Yves J. and Thonhauser, Timo and Sun, Junliang and Han, Yu and Li, Jing},
abstractNote = {Effective separation of alkane isomers is a critical step in the petroleum refining process to produce gasoline with high octane rating. Current technology relies on energy intensive distillation method. Adsorptive separation using porous solids offers an alternative route that is more cost effective, lower energy and higher efficiency. Guided by topology-directed design and synthesis, we have developed a series of zirconium-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, Zr-bptc adsorbs a large amount of n-hexane while excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr-abtc, is capable of discriminating all three C6 isomers with a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is important for producing gasoline with further improved quality.},
doi = {10.1038/s41467-018-04152-5},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United States},
year = {2018},
month = {5}
}

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    A Rotating Adsorber for Multistage Cyclic Processes:  Principle and Experimental Demonstration in the Separation of Paraffins
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    • DOI: 10.1021/ie202995g

    Tuning the Gate Opening Pressure of Metal–Organic Frameworks (MOFs) for the Selective Separation of Hydrocarbons
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    • Journal of the American Chemical Society, Vol. 134, Issue 37
    • DOI: 10.1021/ja305754f

    Vapor-Phase Metalation by Atomic Layer Deposition in a Metal–Organic Framework
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    • Journal of the American Chemical Society, Vol. 137, Issue 1
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    Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores
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