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dc.contributor.authorBenoit, Virginie
dc.contributor.authorPillai, Renjith S.
dc.contributor.authorOrsi, Angelica
dc.contributor.authorNormand, Périne
dc.contributor.authorJobic, Hervé
dc.contributor.authorNouar, Farid
dc.contributor.authorBillemont, Pierre
dc.contributor.authorBloch, Emily
dc.contributor.authorBourrelly, Sandrine
dc.contributor.authorDevic, Thomas
dc.contributor.authorWright, Paul A.
dc.contributor.authorDe Weireld, Guy
dc.contributor.authorSerre, Christian
dc.contributor.authorMaurin, Guillaume
dc.contributor.authorLlewellyn, Philip L.
dc.date.accessioned2016-12-18T00:32:50Z
dc.date.available2016-12-18T00:32:50Z
dc.date.issued2016-01-28
dc.identifier.citationBenoit , V , Pillai , R S , Orsi , A , Normand , P , Jobic , H , Nouar , F , Billemont , P , Bloch , E , Bourrelly , S , Devic , T , Wright , P A , De Weireld , G , Serre , C , Maurin , G & Llewellyn , P L 2016 , ' MIL-91(Ti), a small pore metal-organic framework which fulfils several criteria : an upscaled green synthesis, excellent water stability, high CO 2 selectivity and fast CO 2 transport ' , Journal of Materials Chemistry A , no. 4 , pp. 1383-1389 . https://doi.org/10.1039/c5ta09349jen
dc.identifier.issn2050-7488
dc.identifier.otherPURE: 240790218
dc.identifier.otherPURE UUID: 6a7c335b-b64a-4f21-b45d-9b95288901fd
dc.identifier.otherScopus: 84955256019
dc.identifier.otherWOS: 000368837800028
dc.identifier.otherORCID: /0000-0002-4243-9957/work/62668296
dc.identifier.urihttp://hdl.handle.net/10023/9984
dc.descriptionThe research leading to these results has received funding from the European Community Seventh Framework Program (FP7/2007-2013) [grant agreement number 608490] (project M4CO2) and from the ANR ‘CHESDENS’ (ANR-13-SEED-0001-01).en
dc.description.abstractA multidisciplinary approach combining advanced experimental and modelling tools was undertaken to characterize the promises of a small-pore type Ti-based metal-organic framework, MIL-91(Ti) for CO2 capture. This material was prepared using two synthesis strategies, i.e. under hydrothermal conditions and under reflux, and its single component adsorption behaviour with respect to CO2, CH4 and N2 was first revealed by gravimetry measurements. This hydrophilic and highly water stable MOF is characterized by a relatively high CO2 adsorption enthalpy. Molecular simulations combined with in situ powder X-ray diffraction evidenced that this is due to the combined interaction of this probe with N-H and P-O groups in the phosphonate linker. High CO2 selectivities in the presence of either N2 or CH4 were also predicted and confirmed by co-adsorption measurements. The possibility to prepare this sample under reflux represents an environmentally friendly route which can easily be upscaled. This green synthesis route, excellent water stability, high selectivities and relatively fast transport kinetics of CO2 are significant points rendering this sample of utmost interest for CO2 capture.
dc.format.extent7
dc.language.isoeng
dc.relation.ispartofJournal of Materials Chemistry Aen
dc.rights© 2016, Publisher / the Author(s). This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at pubs.rsc.org / https://dx.doi.org/10.1039/C5TA09349Jen
dc.rights© 2016, Publisher / the Author(s). This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at pubs.rsc.org / https://dx.doi.org/10.1039/C5TA09349Jen
dc.subjectMetal-organic frameworksen
dc.subjectTitaniumen
dc.subjectGreen synthesisen
dc.subjectCO2 captureen
dc.subjectCo-adsorptionen
dc.subjectMolecular simulationsen
dc.subjectQD Chemistryen
dc.subjectChemistry(all)en
dc.subjectRenewable Energy, Sustainability and the Environmenten
dc.subjectMaterials Science(all)en
dc.subjectNDASen
dc.subject.lccQDen
dc.titleMIL-91(Ti), a small pore metal-organic framework which fulfils several criteria : an upscaled green synthesis, excellent water stability, high CO2 selectivity and fast CO2 transporten
dc.typeJournal articleen
dc.description.versionPostprinten
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.identifier.doihttps://doi.org/10.1039/c5ta09349j
dc.description.statusPeer revieweden
dc.date.embargoedUntil2016-12-17


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