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AuthorDeniz, Erhan
AuthorKaradas, Ferdi
AuthorPatel, Hasmukh A.
AuthorAparicio, Santiago
AuthorYavuz, Cafer T.
AuthorAtilhan, Mert
Available date2023-02-22T10:05:14Z
Publication Date2013
Publication NameMicroporous and Mesoporous Materials
ResourceScopus
URIhttp://dx.doi.org/10.1016/j.micromeso.2013.03.015
URIhttp://hdl.handle.net/10576/40286
AbstractMetal organic frameworks (such as commercial Basolite®) display significant promise for CO2 capture and storage. Here, in order to monitor CO2 capture of Basolite®, we combined high pressure CO2 adsorption with high-pressure FTIR and Monte Carlo simulations. We found that Basolite® C300 show an unprecedented rise in capture capacity above 25 bars, as predicted by the DFT calculations. Adsorption isotherms were measured up to 200 bar using a state-of-the-art magnetic suspension balance, and in-situ FTIR studies as a function of pressure allowed characterizing the preferential adsorption sites, and their occupancy with increasing pressure. Monte Carlo molecular simulations were used to infer nanoscopic information of the adsorption mechanism, showing the sorbent–CO2 interactions from structural and energetic viewpoints.
SponsorThis paper was made possible by the support of an NPRP grant (No.: 08-670-1-124 ) from the Qatar National Research Fund. The statements made herein are solely the responsibility of the authors.
Languageen
PublisherElsevier Inc.
SubjectBasolite
CO2 Adsorption
DFT
High-pressure FTIR
MOF
TitleA combined computational and experimental study of high pressure and supercritical CO2 adsorption on Basolite MOFs
TypeArticle
Pagination34-42
Volume Number175
dc.accessType Abstract Only


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