title: Enhanced mechanical strength of zeolites by adsorption of guest molecules.
abstract: We report a molecular simulation study of the mechanical properties of microporous zeolites filled with guest molecules. We show that the adsorption of molecules in the micropores of the material increases its bulk modulus. These results provide a microscopic picture of the deactivation of pressure-induced amorphization by incorporation of molecules.
authors: Institut Charles Gerhardt Montpellier, UMR-CNRS 5253, ENSCM, and Univ. Montpellier 2, 34296 Montpellier, France. benoit.coasne@enscm.fr
authors: Benoit
authors: B
authors: Coasne
authors: Julien
authors: J
authors: Haines
authors: Claire
authors: C
authors: Levelut
authors: Olivier
authors: O
authors: Cambon
authors: Mario
authors: M
authors: Santoro
authors: Federico
authors: F
authors: Gorelli
authors: Gaston
authors: G
authors: Garbarino
mesh_terms: D000327:Adsorption; D002245:Carbon Dioxide / Q000737:chemistry; D019245:Compressive Strength; D056004:Molecular Dynamics Simulation; D044367:Phase Transition; D016062:Porosity; D017641:Zeolites / Q000737:chemistry*
chemical_list: D017641:Zeolites; D002245:Carbon Dioxide