Babarao, R.; Coghlan, C.; Rankine, D.; Bloch, W.; Gransbury, G.; Sato, H.; Kitagawa, S.; Sumby, C.; Hill, M.; Doonan, C.
Fonte: Royal Soc ChemistryPublicador: Royal Soc Chemistry
Tipo: Artigo de Revista Científica
Publicado em //2014Português
Relevância na Pesquisa
The effect of pore functionalisation (-I, -OH, -OCH3) on a series of topologically equivalent, interpenetrated metal-organic frameworks (MOFs) was assessed by both simulation and experiment. Counter-intuitively, a decreased affinity for CO2 was observed in the functionalised materials, compared to the non-functionalised material. This result highlights the importance of considering the combined effects of network topology and chemical functionality in the design of MOFs for enhanced CO2 adsorption; Ravichandar Babarao, Campbell J. Coghlan, Damien Rankine, Witold M. Bloch, Gemma K. Gransbury, Hiroshi Sato, Susumu Kitagawa, Christopher J. Sumby, Matthew R. Hill and Christian J. Doonan
The separation ability of branched alkane isomers (nHEX, 3MP, 22DMB) of the flexible and functionalized microporous iron(III) dicarboxylate MIL-53(Fe)-(CF3)2 solid is evaluated through a combination of breakthrough experiments (binary or ternary mixtures), adsorption isotherms, X-ray diffraction temperature analysis, quasi-elastic neutron scattering measurements and molecular dynamics simulations. A kinetically controlled molecular sieve separation between the di-branched isomer of hexane 22DMB from a mixture of paraffins is achieved. The reported total separation between mono- and di-branched alkanes which was neither predicted nor observed so far in any class of porous solids is spectacular and paves the way towards a potential unprecedented upgrading of the RON of gasoline.