MIL-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 transport

• Published in: Journal of materials chemistry. A, Materials for energy and sustainability Vol. 4; no. 4; pp. 1383 - 1389
• Main Authors: Benoit, Virginie, Pillai, Renjith S., Orsi, Angelica, Normand, Perine, Jobic, H., Nouar, Farid, Billemont, Pierre, Bloch, Emily, Bourrelly, Sandrine, Devic, Thomas, Wright, Paul A., de Weireld, Guy, Serre, Christian, Maurin, Guillaume, Llewellyn, Philip L.
• Format: Journal Article
• Language: English
• Published: Royal Society of Chemistry 01.01.2016
• Subjects: Catalysis; Chemical Sciences; Environment and Society; Environmental Sciences
• ISSN: 2050-7488; 2050-7496
• DOI: 10.1039/c5ta09349j

A multidisciplinary approach combining advanced experimental and modelling tools was undertaken to characterize the promises of asmall-pore type Ti-based metal-organic framework, MIL-91(Ti) for CO2capture. This material was prepared using two synthesis strategies, i.e.under hydrothermal conditions and under reflux, and its singlecomponent adsorption behaviour with respect to CO2, CH4 and N-2 wasfirst revealed by gravimetry measurements. This hydrophilic and highlywater stable MOF is characterized by a relatively high CO2 adsorptionenthalpy. Molecular simulations combined with in situ powder X-raydiffraction evidenced that this is due to the combined interaction ofthis probe with N-H and P-O groups in the phosphonate linker. High CO2selectivities in the presence of either N-2 or CH4 were also predictedand confirmed by co-adsorption measurements. The possibility to preparethis sample under reflux represents an environmentally friendly routewhich can easily be upscaled. This green synthesis route, excellentwater stability, high selectivities and relatively fast transportkinetics of CO2 are significant points rendering this sample of utmostinterest for CO2 capture.