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García-Pérez, E. (author), Serra-Crespo, P. (author), Hamad, S. (author), Kapteijn, F. (author), Gascon, J. (author)
Simulation of gas adsorption in flexible porous materials is still limited by the slow progress in the development of flexible force fields. Moreover, the high computational cost of such flexible force fields may be a drawback even when they are fully developed. In this work, molecular simulations of gas adsorption and diffusion of carbon...
journal article 2014
document
Serra-Crespo, P. (author), Dikhtiarenko, A. (author), Stavitski, E. (author), Juan-Alcañiz, J. (author), Kapteijn, F. (author), Coudert, F.X. (author), Gascon, J. (author)
We report a series of powder X-ray diffraction experiments performed on the soft porous crystals MIL-53(Al) and NH2-MIL-53(Al) in a diamond anvil cell under different pressurization media. Systematic refinements of the obtained powder patterns demonstrate that these materials expand along a specific direction while undergoing total volume...
journal article 2014
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Juan-Alcaniz, J. (author), Gielisse, R. (author), Lago, A.B. (author), Ramos-Fernandez, E.V. (author), Serra-Crespo, P. (author), Devic, T. (author), Guillou, N. (author), Serre, C. (author), Kapteijn, F. (author), Gascon, J. (author)
In this work, the inclusion of free sulfonic acid groups in highly stable MOFs is explored. The synthesized catalysts have been applied in a model esterification reaction. Two metal organic frameworks bearing sulfonic acid moieties are investigated: HSO3-MIL-101(Cr) synthesized following different approaches and a new structure based on HSO3-bdc...
journal article 2013
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Rodenas, T. (author), Van Dalen, M. (author), Garcia-Perez, E. (author), Serra-Crespo, P. (author), Zornoza, B. (author), Kapteijn, F. (author), Gascon, J. (author)
Mixed matrix membranes (MMMs) composed of metal organic framework (MOF) fi llers embedded in a polymeric matrix represent a promising alternative for CO 2 removal from natural gas and biogas. Here, MMMs based on NH 2 -MIL-53(Al) MOF and polyimide are successfully synthesized with MOF loadings up to 25 wt% and different thicknesses. At 308 K and ...
journal article 2013
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