Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures
Abstract
Here the trapping of paraffins is beneficial compared to selective olefin adsorption for adsorptive olefin purification from a process engineering point of view. Here we demonstrate the use of a series of Zn2(X-bdc)2(dabco) (where X-bdc2- is bdc2- = 1,4-benzenedicarboxylate with substituting groups X, DM-bdc2-= 2,5-dimethyl-1,4-benzenedicarboxylate or TM-bdc2- = 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate and dabco = diazabicyclo[2.2.2.]octane) metal-organic frameworks (MOFs) for the adsorptive removal of ethane from ethylene streams. The best performing material from this series is Zn2(TM-bdc)2(dabco) (DMOF-TM), which shows a high ethane uptake of 5.31 mmol g-1 at 110 kPa, with a good IAST selectivity of 1.88 towards ethane over ethylene. Through breakthrough measurements a high productivity of 13.1 L/kg per breakthrough is revealed with good reproducibility over five consecutive cycles. Molecular simulations show that the methyl groups of DMOF-TM are forming a van der Waals trap with the methylene groups from dabco, snuggly fitting the ethane. Further, rarely used high pressure coadsorption measurements, in pressure regimes that most scientific studies on hydrocarbon separation on MOFs ignore, reveal an increase in ethane capacity and selectivity for binary mixtures with increased pressures. The coadsorption measurements reveal good selectivity of 1.96 at 1000 kPa, which is verified also through IAST calculations up to 3000more »
- Authors:
-
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Hokkaido Univ., Sapporo (Japan)
- Technische Universität Dresden (Germany)
- Hokkaido Univ., Sapporo (Japan); Kyoto Univ. (Japan)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1845393
- Alternate Identifier(s):
- OSTI ID: 1806580
- Report Number(s):
- SAND2022-0850J
Journal ID: ISSN 1477-9226; 703239
- Grant/Contract Number:
- NA0003525
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Dalton Transactions
- Additional Journal Information:
- Journal Volume: 50; Journal Issue: 30; Journal ID: ISSN 1477-9226
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Schneemann, Andreas, Jing, Yuan, Evans, Jack D., Toyao, Takashi, Hijikata, Yuh, Kamiya, Yuichi, Shimizu, Ken-ichi, Burtch, Nicholas C., and Noro, Shin-ichiro. Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures. United States: N. p., 2021.
Web. doi:10.1039/d1dt01477c.
Schneemann, Andreas, Jing, Yuan, Evans, Jack D., Toyao, Takashi, Hijikata, Yuh, Kamiya, Yuichi, Shimizu, Ken-ichi, Burtch, Nicholas C., & Noro, Shin-ichiro. Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures. United States. https://doi.org/10.1039/d1dt01477c
Schneemann, Andreas, Jing, Yuan, Evans, Jack D., Toyao, Takashi, Hijikata, Yuh, Kamiya, Yuichi, Shimizu, Ken-ichi, Burtch, Nicholas C., and Noro, Shin-ichiro. Thu .
"Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures". United States. https://doi.org/10.1039/d1dt01477c. https://www.osti.gov/servlets/purl/1845393.
@article{osti_1845393,
title = {Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures},
author = {Schneemann, Andreas and Jing, Yuan and Evans, Jack D. and Toyao, Takashi and Hijikata, Yuh and Kamiya, Yuichi and Shimizu, Ken-ichi and Burtch, Nicholas C. and Noro, Shin-ichiro},
abstractNote = {Here the trapping of paraffins is beneficial compared to selective olefin adsorption for adsorptive olefin purification from a process engineering point of view. Here we demonstrate the use of a series of Zn2(X-bdc)2(dabco) (where X-bdc2- is bdc2- = 1,4-benzenedicarboxylate with substituting groups X, DM-bdc2-= 2,5-dimethyl-1,4-benzenedicarboxylate or TM-bdc2- = 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate and dabco = diazabicyclo[2.2.2.]octane) metal-organic frameworks (MOFs) for the adsorptive removal of ethane from ethylene streams. The best performing material from this series is Zn2(TM-bdc)2(dabco) (DMOF-TM), which shows a high ethane uptake of 5.31 mmol g-1 at 110 kPa, with a good IAST selectivity of 1.88 towards ethane over ethylene. Through breakthrough measurements a high productivity of 13.1 L/kg per breakthrough is revealed with good reproducibility over five consecutive cycles. Molecular simulations show that the methyl groups of DMOF-TM are forming a van der Waals trap with the methylene groups from dabco, snuggly fitting the ethane. Further, rarely used high pressure coadsorption measurements, in pressure regimes that most scientific studies on hydrocarbon separation on MOFs ignore, reveal an increase in ethane capacity and selectivity for binary mixtures with increased pressures. The coadsorption measurements reveal good selectivity of 1.96 at 1000 kPa, which is verified also through IAST calculations up to 3000 kPa. This study overall showcases the opportunities that pore engineering by alkyl group incorporation and pressure increase offer to improve hydrocarbon separation in reticular materials.},
doi = {10.1039/d1dt01477c},
journal = {Dalton Transactions},
number = 30,
volume = 50,
place = {United States},
year = {Thu Jun 24 00:00:00 EDT 2021},
month = {Thu Jun 24 00:00:00 EDT 2021}
}
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