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

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

doi:10.1038/s41467-018-04152-5

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

Journal Article · Tue May 01 04:00:00 EDT 2018 · Nature Communications

DOI:https://doi.org/10.1038/s41467-018-04152-5· OSTI ID:1436677

Wang, Hao ^[1]; ^[2]; Lin, Junzhong ^[3]; ^[4]; Jensen, Stephanie ^[5]; Cure, Jeremy ^[6]; ^[7]; Xia, Qibin ^[8]; Tan, Kui ^[6]; Wang, Qining ^[1]; Olson, David H. ^[1]; ^[9]; Chabal, Yves J. ^[6]; Thonhauser, Timo ^[10]; Sun, Junliang ^[3]; ^[2]; Li, Jing ^[1]

Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology
King Abdullah University of Science and Technology, Thuwal (Saudi Arabia). Advanced Membranes and Porous Materials Center, Physical Sciences and Engineering Division
Peking University, Beijing (China). College of Chemistry and Molecular Engineering
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Wake Forest University, Winston-Salem, NC (United States). Department of Physics
Univ. of Texas-Dallas, Richardson, TX (United States). Department of Materials Science & Engineering
Samara University (Russia). Samara Center for Theoretical Materials Science (SCTMS
Rutgers Univ., Piscataway, NJ (United States). Department of Chemistry and Chemical Biology; South China University of Technology, Guangzhou (China). School of Chemistry and Chemical Engineering
Samara University (Russia). Samara Center for Theoretical Materials Science (SCTMS; Università degli Studi di Milano, Milano (Italy). Dipartimento di Chimica
Wake Forest University, Winston-Salem, NC (United States). Department of Physics; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Department of Chemistry

As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating. Zr₆O₄(OH)₄(bptc)₃ adsorbs a large amount of n-hexane but excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr₆O₄(OH)₈(H₂O)₄(abtc)₂, is capable of discriminating all three C6 isomers and yielding a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is critical for producing gasoline with further improved quality. Multicomponent breakthrough experiments provide a quantitative measure of the capability of these materials for separation of C6 alkane isomers. A detailed structural analysis reveals the unique topology, connectivity and relationship of these compounds.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

DOE Contract Number:: AC02-05CH11231; FG02-08ER46491

OSTI ID:: 1436677

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 9; ISSN 2041-1723

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

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