سال انتشار: ۱۳۸۷

محل انتشار: همایش بین المللی ژئولیت ایران

تعداد صفحات: ۶

نویسنده(ها):

Mahmoud Rahmati – Department of Chemical Engineering, AmirKabir University of Technology, Tehran, Iran
hamid modarress – Department of Chemical Engineering, AmirKabir University of Technology, Tehran, Iran

چکیده:

The adsorption of molecular hydrogen on zeolite LTA containing various exchangeable cations (Mg, Sr,
Ca, Na, Cd) have been simulated employing grand canonical monte carlo (GCMC) procedure for a
temperature 77 K and a pressure range of 0–۱۰ bars. Quantum effects were included in the simulations
through the Feynman-Hibbs effective potential. The simulation results were compared with experimentally
measured values at 77 K and indicated a good quantitative agreement. The results showed that hydrogen
adsorption in zeolites is strongly dependent upon pressure, and also on cation type in the zeolite framework,
and the highest storage capacity was obtained for CaA.