Molecular Simulation of Hydrogen Storage on All-Silica ZSM-5 Zeolite

Abstract:

Article Preview

Grand Canonical Monte Carlo (GCMC) method was employed to simulate the adsorption properties of molecular hydrogen on crossing the critical temperature in all-silica ZSM-5 zeolite in this paper. The results indicated that the adsorbed amounts of hydrogen increased with decreasing temperatures and increasing pressures. The highest hydrogen uptake value is 2.24 wt% at 25 K and 10000 kPa. By comparing the variation of the hydrogen adsorption isotherms on crossing the critical temperature, it is shown that the micropore filling and capillary condensation were the main adsorption mechanism under the critical temperature of hydrogen, and the micropore filling was the adsorption mechanism above the critical temperature. The results and data of hydrogen adsorption properties obtained from the simulations are theoretically significant for understanding of the mechanism of hydrogen storage on microporous zeolites.

Info:

Periodical:

Materials Science Forum (Volumes 663-665)

Edited by:

Yuan Ming Huang

Pages:

934-938

DOI:

10.4028/www.scientific.net/MSF.663-665.934

Citation:

X. M. Du and E. D. Wu, "Molecular Simulation of Hydrogen Storage on All-Silica ZSM-5 Zeolite", Materials Science Forum, Vols. 663-665, pp. 934-938, 2011

Online since:

November 2010

Export:

Price:

$35.00

In order to see related information, you need to Login.

In order to see related information, you need to Login.