| Abstract
| - Molecular simulations have been coupled with adsorption microcalorimetry measurements in order to understandmore deeply the interactions between carbon dioxide and various types of faujasite surfaces. The modelingstudies, based on newly derived interatomic potentials for describing the interactions within the whole system,provide isotherms and evolutions of the differential enthalpy of adsorption as a function of coverage forDAY, NaY, and NaLSX which are in very good accordance with those obtained experimentally. Themicroscopic mechanism of CO2 adsorption was carefully analyzed, with different behaviors proposed, dependingon the energetic characteristics of each faujasite surface, which are consistent with the trends observed forthe differential enthalpies of adsorption.
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