Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study

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This article discusses cooperative carbon capture capabilities in metal organic frameworks decorated with amino acid side chains.

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6 p.: ill.

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Drummond, Michael L.; Cundari, Thomas R., 1964- & Wilson, Angela K. June 5, 2013.

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This article discusses cooperative carbon capture capabilities in metal organic frameworks decorated with amino acid side chains.

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6 p.: ill.

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Reprinted with permission from the Journal of Physical Chemistry C. Copyright 2013 American Chemical Society.

Abstract: Multivariate metal organic frameworks (MTV-MOFs) allow for the incorporation of multiple functional groups appended to a uniform backbone, similar to the construction of proteins from an amino acid library. This analogy is explicitly developed through the simulation of CO₂ adsorption isotherms of MOF-5 backbones decorated with amino acid side chains (AA-MTV-MOFs). Differences in excess adsorption among these AA-MTV-MOFs can be explained by the varying functional groups at lower pressures and by structural properties of the framework at higher loadings. Synergistic carbon capture properties are observed in silico, with the degree of cooperativity governed by the strength of the CO₂, AA interaction, the arrangement of the AA side chains, and the loading.

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  • Journal of Physical Chemistry C, 2013, Washington D.C.: American Chemical Society, pp. 14717-14722

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  • Publication Title: Journal of Physical Chemistry C
  • Volume: 117
  • Issue: 28
  • Page Start: 14717
  • Page End: 14722
  • Peer Reviewed: Yes

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  • June 5, 2013

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  • Aug. 30, 2013, 3:35 p.m.

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  • Jan. 9, 2015, 3:09 p.m.

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Drummond, Michael L.; Cundari, Thomas R., 1964- & Wilson, Angela K. Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study, article, June 5, 2013; [Washington, D.C.]. (digital.library.unt.edu/ark:/67531/metadc179688/: accessed August 17, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.