Theoretical Study of Molecular Hydrogen Adsorption in Mg-Exchanged Chabazite

Autor: Javier Torres, F., Civalleri, Bartolomeo, Terentyev, Alexander, Ugliengo, Piero, Pisani, Cesare
Zdroj: The Journal of Physical Chemistry - Part C; February 2007, Vol. 111 Issue: 5 p1871-1873, 3p
Abstrakt: An enthalpy of adsorption of ca. -10 kJ/mol was theoretically predicted for the interaction of molecular hydrogen with Mg-exchanged low silica chabazite (Si/Al 5/1), which is significantly higher than the theoretical prediction for alkali-metal-exchanged chabazites (-3.0/-7.0 kJ/mol) and in acceptable agreement with a recent experimental finding of -17.5 kJ/mol obtained for a different zeolite, that is, (Mg,Na)-Y.
Databáze: Supplemental Index