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https://hdl.handle.net/2440/112680
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dc.contributor.author | Chevreau, H. | - |
dc.contributor.author | Liang, W. | - |
dc.contributor.author | Kearley, G. | - |
dc.contributor.author | Duyker, S. | - |
dc.contributor.author | D'Alessandro, D. | - |
dc.contributor.author | Peterson, V. | - |
dc.date.issued | 2015 | - |
dc.identifier.citation | The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, 2015; 119(13):6980-6987 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.issn | 1932-7455 | - |
dc.identifier.uri | http://hdl.handle.net/2440/112680 | - |
dc.description.abstract | Porous metal−organic frameworks (MOFs) have emerged as promising materials for the capture of carbon dioxide (CO₂) and its separation from methane (CH₄) during the industrially important “sweetening” of sour natural-gas. The excellent thermal and chemical stability of the highly porous UiO-66(Zr) material, combined with good selectivity for CO₂ over CH₄, makes this material a prime candidate for such applications. Using a combination of neutron powder-diffraction and density-functional theory, we examine the details of the binding of CO₂ and CH₄ in UiO-66(Zr) over the industrially relevant 3.6-9.0 mmol/g concentration range, corresponding to the material that is half to fully saturated with CO₂. This work builds on the previously reported preferred site for CO₂ and CH₄ in UiO-66(Zr), establishing further sites and determining the strength and nature of the guest−host interaction at these. We find the UiO-66(Zr)···CO₂ interactions are significantly affected by the concentration of CO₂ as the binding of CO₂ is enhanced by interguest interactions. | - |
dc.description.statementofresponsibility | Hubert Chevreau, Weibin Liang, Gordon J. Kearley, Samuel G. Duyker, Deanna M. D'Alessandro, and Vanessa K. Peterson | - |
dc.language.iso | en | - |
dc.publisher | American Chemical Society | - |
dc.rights | © 2015 American Chemical Society | - |
dc.source.uri | http://dx.doi.org/10.1021/jp512501k | - |
dc.title | Concentration-dependent binding of CO₂ and CD₄ in UiO 66(Zr) | - |
dc.title.alternative | Concentration-dependent binding of CO(2) and CD(4) in UiO 66(Zr) | - |
dc.type | Journal article | - |
dc.identifier.doi | 10.1021/jp512501k | - |
pubs.publication-status | Published | - |
Appears in Collections: | Aurora harvest 3 Chemical Engineering publications |
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