Authors: Mehmet Ferdi Fellah
Publish Date: 2014/08/10
Volume: 21, Issue: 5, Pages: 883-888
Abstract
The molecular adsorption of hydrogen has been studied theoretically via DFT on additional framework with alkali metal atoms K Na and Li in ZSM12 zeolite A 14T channel zeolite cluster model was used Lewis acidity of alkali metals decreases with increasing atomic radius of alkali metal and H2 adsorption Adsorption enthalpy values were computed to be −74 and −51 kJ/mol on Li and NaZSM12 clusters respectively Hydrogen adsorption enthalpy values for Li and Nacases are meaningfully larger than the liquefaction enthalpy of hydrogen molecule This designates that Li and NaZSM12 zeolites are potential cryoadsorbent materials for hydrogen storage
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