Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

Libo Li^{1

2

3}, Rui-Biao Lin², Rajamani Krishna⁴, Hao Li^{2

5}, Shengchang Xiang⁵, Hui Wu⁶, Jinping Li^{7

3}, Wei Zhou⁸, Banglin Chen⁹

Affiliations

¹ College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China.
² Department of Chemistry, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249-0698, USA.
³ Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization, Taiyuan 030024, Shanxi, China.
⁴ Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, Netherlands.
⁵ Fujian Provincial Key Laboratory of Polymer Materials, College of Materials Science and Engineering, Fujian Normal University, Fuzhou 350007, Fujian, China.
⁶ NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102, USA.
⁷ College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China. jpli211@hotmail.com wzhou@nist.gov banglin.chen@utsa.edu.
⁸ NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102, USA. jpli211@hotmail.com wzhou@nist.gov banglin.chen@utsa.edu.
⁹ Department of Chemistry, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249-0698, USA. jpli211@hotmail.com wzhou@nist.gov banglin.chen@utsa.edu.

PMID: 30361370
DOI: 10.1126/science.aat0586

Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

Libo Li et al. Science. 2018.

. 2018 Oct 26;362(6413):443-446.

doi: 10.1126/science.aat0586.

Authors

Libo Li^{1

2

3}, Rui-Biao Lin², Rajamani Krishna⁴, Hao Li^{2

5}, Shengchang Xiang⁵, Hui Wu⁶, Jinping Li^{7

3}, Wei Zhou⁸, Banglin Chen⁹

Affiliations

¹ College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China.
² Department of Chemistry, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249-0698, USA.
³ Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization, Taiyuan 030024, Shanxi, China.
⁴ Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, Netherlands.
⁵ Fujian Provincial Key Laboratory of Polymer Materials, College of Materials Science and Engineering, Fujian Normal University, Fuzhou 350007, Fujian, China.
⁶ NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102, USA.
⁷ College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China. jpli211@hotmail.com wzhou@nist.gov banglin.chen@utsa.edu.
⁸ NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-6102, USA. jpli211@hotmail.com wzhou@nist.gov banglin.chen@utsa.edu.
⁹ Department of Chemistry, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249-0698, USA. jpli211@hotmail.com wzhou@nist.gov banglin.chen@utsa.edu.

PMID: 30361370
DOI: 10.1126/science.aat0586

Abstract

The separation of ethane from its corresponding ethylene is an important, challenging, and energy-intensive process in the chemical industry. Here we report a microporous metal-organic framework, iron(III) peroxide 2,5-dioxido-1,4-benzenedicarboxylate [Fe₂(O₂)(dobdc) (dobdc^4-: 2,5-dioxido-1,4-benzenedicarboxylate)], with iron (Fe)-peroxo sites for the preferential binding of ethane over ethylene and thus highly selective separation of C₂H₆/C₂H₄ Neutron powder diffraction studies and theoretical calculations demonstrate the key role of Fe-peroxo sites for the recognition of ethane. The high performance of Fe₂(O₂)(dobdc) for the ethane/ethylene separation has been validated by gas sorption isotherms, ideal adsorbed solution theory calculations, and simulated and experimental breakthrough curves. Through a fixed-bed column packed with this porous material, polymer-grade ethylene (99.99% pure) can be straightforwardly produced from ethane/ethylene mixtures during the first adsorption cycle, demonstrating the potential of Fe₂(O₂)(dobdc) for this important industrial separation with a low energy cost under ambient conditions.

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Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

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Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

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