Author： Soto J.L. Myers A.L.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.42, Iss.4, 1981-03, pp. : 971-983
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Abstract
Adsorption isotherms, heats of adsorption and radial distribution functions for hard sphere and Lennard-Jones molecules in MS-13X have been generated by a Monte Carlo simulation of the grand canonical ensemble. A model which takes into consideration both dispersion and electrostatic energies in zeolite cavities was used for the gas-solid potential energy. Heterogeneity of the zeolite cavity and intermolecular forces between adsorbate molecules were found to be equally important in determining the adsorptive properties. A reference system to test models for adsorption in molecular sieves has been developed.
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