Investigating Unusual Organic Functional Groups to Engineer the Surface Chemistry of Mesoporous Silica to Tune CO 2 –Surface Interactions
Résumé
As the search for functionalized materials for
CO2 capture continues, the role of theoretical chemistry is
becoming more and more central. In this work, a strategy is
proposed where ab initio calculations are compared and
validated by adsorption microcalorimetry experiments for a
series of, so far unexplored, functionalized SBA-15 silicas with
different spacers (aryl, alkyl) and terminal functions (N3,
NO2). This validation then permitted to propose the use of a
nitro-indole surface functionality. After synthesis of such a
material the predictions were confirmed by experiment. This confirms that it is possible to fine-tune CO2-functional interactions
at energies much lower than those observed with amine species.
Origine : Fichiers produits par l'(les) auteur(s)
Loading...