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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 16, Number 8
BKCSDE 16(8)
August 20, 1995 

Monte Carlo Studies of Argon Adsorbed in 5A Zeolite Cavities
Soong-Hyuck Suh*, Woo-Chul Kim, Ki-Ryong Ha, Soon-Chul Kim, Nam-Ho Heo, Keith E. Gubbins
The grand canonical ensemble Monte Carlo simulations have been carried out to investigate the thermodynamic and energetic properties for the Lennard-Jones system of argon gases adsorbed in 5A zeolites. The adsorption isotherm, the isosteric heat of adsorption and the energy distribution curves are computed at the fixed temperature of 233 K over the bulk pressure range varying from 50 kPa to 400 kPa, and the resulting simulation data are compared with the available experimental values. For temperature and pressure conditions employed in this work the Monte Carlo results are shown to be in reasonable agreement with the corresponding experimental data. Two main peaks in the energy distribution curves are observed due to the energetically distinct regions near the sorption sites of such zeolite cavities.
725 - 729
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