Influence of Hydrogen Sulfide Exposure on the Transport and Structural Properties of the Metal–Organic Framework ZIF-8
Abstract
In this paper, the interaction between hydrogen sulfide and ZIF-8 was studied via structural characterizations and guest molecule diffusion measurements. It was found that hydrogen sulfide reacts with the ZIF-8 external particle surface to form a surface barrier that excludes the uptake of larger molecules (ethanol) and slows down the uptake of smaller molecules (carbon dioxide). Nonetheless, bulk transport properties were unaltered, as supported by pulsed field gradient nuclear magnetic resonance studies. Dispersion-corrected density functional theory calculations revealed that H2S is consumed by reactions occurring at the ZIF external surface. These reactions result in water and defect formation, both of which were found to be exothermic and independent of both crystallographic facets ({001} and {110}) and surface termination. Finally, we concluded that these surface reactions lead to structural and chemical changes to the ZIF-8 external surface that generate surface barriers to molecular transport.
- Authors:
-
- Univ. of Florida, Gainesville, FL (United States). Dept. of Chemical Engineering
- Univ. of Wisconsin, Madison, WI (United States). Theoretical Chemistry Inst. Dept. of Chemistry
- Georgia Inst. of Technology, Atlanta, GA (United States). School of Chemical and Biomolecular Engineering
- Univ. of Florida, Gainesville, FL (United States). National High Magnetic Field Lab.
- Publication Date:
- Research Org.:
- Georgia Institute of Technology, Atlanta, GA (United States); Univ. of Florida, Gainesville, FL (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Understanding and Control of Acid Gas-induced Evolution of Materials for Energy (UNCAGE-ME)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- OSTI Identifier:
- 1428044
- Grant/Contract Number:
- SC0012577; ECCS-1542174; DMR-1157490
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. C
- Additional Journal Information:
- Journal Volume: 122; Journal Issue: 13; Journal ID: ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Dutta, Akshita, Tymi?ska, Nina, Zhu, Guanghui, Collins, James, Lively, Ryan P., Schmidt, J. R., and Vasenkov, Sergey. Influence of Hydrogen Sulfide Exposure on the Transport and Structural Properties of the Metal–Organic Framework ZIF-8. United States: N. p., 2018.
Web. doi:10.1021/acs.jpcc.8b00798.
Dutta, Akshita, Tymi?ska, Nina, Zhu, Guanghui, Collins, James, Lively, Ryan P., Schmidt, J. R., & Vasenkov, Sergey. Influence of Hydrogen Sulfide Exposure on the Transport and Structural Properties of the Metal–Organic Framework ZIF-8. United States. https://doi.org/10.1021/acs.jpcc.8b00798
Dutta, Akshita, Tymi?ska, Nina, Zhu, Guanghui, Collins, James, Lively, Ryan P., Schmidt, J. R., and Vasenkov, Sergey. Fri .
"Influence of Hydrogen Sulfide Exposure on the Transport and Structural Properties of the Metal–Organic Framework ZIF-8". United States. https://doi.org/10.1021/acs.jpcc.8b00798. https://www.osti.gov/servlets/purl/1428044.
@article{osti_1428044,
title = {Influence of Hydrogen Sulfide Exposure on the Transport and Structural Properties of the Metal–Organic Framework ZIF-8},
author = {Dutta, Akshita and Tymi?ska, Nina and Zhu, Guanghui and Collins, James and Lively, Ryan P. and Schmidt, J. R. and Vasenkov, Sergey},
abstractNote = {In this paper, the interaction between hydrogen sulfide and ZIF-8 was studied via structural characterizations and guest molecule diffusion measurements. It was found that hydrogen sulfide reacts with the ZIF-8 external particle surface to form a surface barrier that excludes the uptake of larger molecules (ethanol) and slows down the uptake of smaller molecules (carbon dioxide). Nonetheless, bulk transport properties were unaltered, as supported by pulsed field gradient nuclear magnetic resonance studies. Dispersion-corrected density functional theory calculations revealed that H2S is consumed by reactions occurring at the ZIF external surface. These reactions result in water and defect formation, both of which were found to be exothermic and independent of both crystallographic facets ({001} and {110}) and surface termination. Finally, we concluded that these surface reactions lead to structural and chemical changes to the ZIF-8 external surface that generate surface barriers to molecular transport.},
doi = {10.1021/acs.jpcc.8b00798},
journal = {Journal of Physical Chemistry. C},
number = 13,
volume = 122,
place = {United States},
year = {Fri Mar 09 00:00:00 EST 2018},
month = {Fri Mar 09 00:00:00 EST 2018}
}
Web of Science
Figures / Tables:
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