Enhanced mechanical strength of zeolites by adsorption of guest molecules

Phys Chem Chem Phys. 2011 Dec 7;13(45):20096-9. doi: 10.1039/c1cp22477h. Epub 2011 Oct 13.

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.

MeSH terms

  • Adsorption
  • Carbon Dioxide / chemistry
  • Compressive Strength
  • Molecular Dynamics Simulation
  • Phase Transition
  • Porosity
  • Zeolites / chemistry*

Substances

  • Zeolites
  • Carbon Dioxide