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

Hao Wang, Xinglong Dong, Junzhong Lin, Simon J. Teat, Stephanie Jensen, Jeremy Cure, Eugeny V. Alexandrov, Qibin Xia, Kui Tan, Qining Wang, David H. Olson, Davide M. Proserpio, Yves J. Chabal, Timo Thonhauser, Junliang Sun, Yu Han and Jing Li ()
Additional contact information
Hao Wang: Rutgers University
Xinglong Dong: King Abdullah University of Science and Technology
Junzhong Lin: Peking University
Simon J. Teat: Advanced Light Source, Lawrence Berkeley National Laboratory
Stephanie Jensen: Wake Forest University
Jeremy Cure: University of Texas at Dallas
Eugeny V. Alexandrov: Samara University
Qibin Xia: Rutgers University
Kui Tan: University of Texas at Dallas
Qining Wang: Rutgers University
David H. Olson: Rutgers University
Davide M. Proserpio: Samara University
Yves J. Chabal: University of Texas at Dallas
Timo Thonhauser: Wake Forest University
Junliang Sun: Peking University
Yu Han: King Abdullah University of Science and Technology
Jing Li: Rutgers University

Nature Communications, 2018, vol. 9, issue 1, 1-11

Abstract: Abstract 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.

Date: 2018
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DOI: 10.1038/s41467-018-04152-5

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