The effect of pore structure in ethane-selective metal-organic frameworks for ethylene purification

Xie, Feng; Liu, Jiaqi; Graham, Wells; Ullah, Saif; Cedeño Morales, Eder Moisés; Tan, Kui; Thonhauser, Timo; Wang, Hao; Li, Jing

doi:10.1016/j.cej.2023.145096

Title: The effect of pore structure in ethane-selective metal-organic frameworks for ethylene purification

Journal Article · Tue Aug 01 00:00:00 EDT 2023 · Chemical Engineering Journal

DOI:https://doi.org/10.1016/j.cej.2023.145096· OSTI ID:2305721

^[1]; Liu, Jiaqi ^[2];

^[2]; Ullah, Saif ^[2]; Cedeño Morales, Eder Moisés ^[3]; Tan, Kui ^[3]; Thonhauser, Timo ^[2]; Wang, Hao ^[4];

^[5]

Rutgers University, Piscataway, NJ (United States)
Wake Forest University, Winston-Salem, NC (United States)
University of North Texas, Denton, TX (United States)
Shenzhen Polytechnic, Guangdong (China)
Rutgers University, Piscataway, NJ (United States); Shenzhen Polytechnic, Guangdong (China)

Separation of ethylene from ethane is of great importance in petrochemical industry. Adsorptive separation making use of porous materials such as metal-organic frameworks (MOFs) is an energy efficient technology compared to the conventional cryogenic distillation. However, preferential adsorption of ethylene over ethane represents the major current challenge. Here we demonstrate how pore structure can significantly alter the adsorption selectivity in two isoreticular Zr-MOFs. A simple ligand functionalization in UiO-66 yields smaller/better matching pore for ethane, and weaker interaction with ethylene, greatly enhancing ethane/ethylene selectivity in MOF-801. Ab initio calculations combined with in situ infrared spectroscopic analysis unveil the nature of host-guest interactions and differences in the overall binding energies. Polymer-grade ethylene (99.9%) can be produced directly from ethane/ethylene mixture in a single step. Having well-balanced adsorption capacity and selectivity, low-cost synthesis and easy scalability MOF-801 stands out as a promising ethane-selective adsorbent for one-step ethylene purification under ambient conditions.

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Research Organization:: Wake Forest University, Winston-Salem, NC (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0019902

OSTI ID:: 2305721

Alternate ID(s):: OSTI ID: 1999281

Journal Information:: Chemical Engineering Journal, Vol. 473; ISSN 1385-8947

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Title: The effect of pore structure in ethane-selective metal-organic frameworks for ethylene purification

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