ISSN:
1434-6036
Keywords:
68.45.By
;
05.20.-y
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The Tarazona model of molecular density functional theory is used to determine the adsorption isotherm and the density distribution of xenon atoms in zeolite NaA. We consider the alpha cage of NaA to be fully three-dimensional and we introduce a basis set for the density distribution to make the solution computationally tractable. The results of this density functional theory model are compared to previous results of grand canonical Monte Carlo simulations for the same system.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01307488
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