High-Pressure Hydrogen Adsorption in the Zeolites: A Grand Canonical Monte Carlo Study | Zendy

Xiuying Liu | Zendy; Jie He | Zendy; Rui Li | Zendy

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High-Pressure Hydrogen Adsorption in the Zeolites: A Grand Canonical Monte Carlo Study

Author(s) -

Xiuying Liu,

Jie He,

Rui Li

Publication year - 2012

Publication title -

isrn renewable energy

Language(s) - English

Resource type - Journals

eISSN - 2090-746X

pISSN - 2090-7451

DOI - 10.5402/2012/491396

Subject(s) - adsorption , hydrogen storage , hydrogen , grand canonical ensemble , monte carlo method , thermodynamics , chemistry , molecule , materials science , organic chemistry , physics , mathematics , statistics

The adsorption of hydrogen molecules on different zeolites at near room temperature and extremely high pressures has been simulated employing Grand Canonical Monte Carlo (GCMC) method. Some important physical amounts under different temperatures and pressures, such as adsorption isotherms, adsorption amounts, and isosteric heats were studied. We predict the storage capacity of hydrogen in ZON and CHA zeolites at different conditions. The results show that the hydrogen storage capacity of CHA is superior to that of ZON. The different hydrogen adsorption behavior between them is explained by the isosteric heats of adsorption at different temperatures. These results may help us to understand different hydrogen adsorption properties of these two zeolites, thus facilitate exploring new hydrogen storage candidates experimentally.

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