Balancing chemical warfare agent degradation and permeability in a zirconium-based metal-organic framework fiber composite

Kaikai Ma*, Dahee Jung, John J. Mahle, Sylvia L. Hanna, Timur Islamoglu, Isil Akpinar, Gregory W. Peterson*, Omar K. Farha*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Integrating metal-organic frameworks (MOFs) onto textile fibers enables the preparation of MOF-based solid catalysts for practical protective applications such as the degradation of chemical warfare agents (CWAs). While MOF-coated fiber composites show promise for nerve agent hydrolysis under relevant conditions, it is critical to optimize the preparation of these composites to maximize their catalytic activity, permeability, and capture capabilities. Here, we systematically study multiple variables that can affect the catalytic activity and permeability of an MOF-polymer fiber composite based on a zirconium MOF and a non-volatile amine-based crosslinked polyethyleneimine: activation method, MOF mass loading, MOF particle size, and crosslinker amount. We determine that activation methods, MOF mass loadings, and MOF particle size are the most crucial parameters that affect the resulting composite. Ultimately, our work develops composite materials and provides critical insight into the production of MOF-based personal protective equipment for CWA detoxification and reduced CWA permeation under practical conditions.

Original languageEnglish (US)
Article number101608
JournalCell Reports Physical Science
Volume4
Issue number10
DOIs
StatePublished - Oct 18 2023

Funding

The authors acknowledge support from the Defense Threat Reduction Agency under award numbers HDTRA1-18-1-0003 and CB3934 for the hydrolysis and capture test and the Army Research Office (W911NF2020136) for the preparation of MOF/fiber composite materials. This work made use of the Integrated Molecular Structure Education and Research Center (IMSERC) crystallography and NMR facility at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS2025633), NSF CHE-1048773, Int. Institute of Nanotechnology, and Northwestern University. We also thank the EPIC and the Keck-II facility of Northwestern University's NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern's MRSEC program (NSF DMR-1720139). O.K.F. and G.W.P. planned and supervised the project. K.M. and D.J. performed the synthetic experimental work and obtained and analyzed the gas adsorption, X-ray diffraction (XRD), scanning electron microscopy (SEM), and catalysis under the supervision of O.K.F. J.J.M. and G.W.P. performed the real nerve agent hydrolysis and permeation test and interpreted the data. T.I. and S.L.H. helped with data analysis. K.M. D.J. and S.L.H. wrote the initial draft of the manuscript, and all authors contributed to revising the paper. K.M. and D.J. contributed equally. O.K.F. has a financial interest in the start-up company NuMat Technologies, which is seeking to commercialize MOFs. We support inclusive, diverse, and equitable conduct of research. The authors acknowledge support from the Defense Threat Reduction Agency under award numbers HDTRA1-18-1-0003 and CB3934 for the hydrolysis and capture test and the Army Research Office ( W911NF2020136 ) for the preparation of MOF/fiber composite materials. This work made use of the Integrated Molecular Structure Education and Research Center ( IMSERC ) crystallography and NMR facility at Northwestern University , which has received support from the Soft and Hybrid Nanotechnology Experimental ( SHyNE ) Resource ( NSF ECCS2025633 ), NSF CHE-1048773 , Int. Institute of Nanotechnology , and Northwestern University . We also thank the EPIC and the Keck-II facility of Northwestern University’s NUANCE Center , which has received support from the SHyNE Resource ( NSF ECCS-2025633 ), the IIN , and Northwestern’s MRSEC program ( NSF DMR-1720139 ).

Keywords

  • MOF
  • adsorption
  • chemical warfare agents
  • composite
  • nerve agent
  • personal protection gear
  • textile
  • toxin capture

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • General Engineering
  • General Energy
  • General Physics and Astronomy

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