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The discussion above does not include -complexation bonds between Ag+ and N2. Based on ab initio molecular orbital calculation results using a cluster model for zeolite framework, Ag(AlO4H4)(SiO4H4), a weak -complexation bond between N2 and the Ag-zeolite was observed.7 The adsorbate-zeolite interactions correspond to those between the adsorbing gas and the surface oxygen and charge compensating cations. Since the alumina and silica groups are in a tetrahedral structure, the aluminum an silicon atoms of the zeolite framework are obscured by the oxygen atoms31 Interactions between the adsorbate and the silicon and aluminum atoms are shielded and are therefore neglected.1 In faujasite zeolites, the cations in the beta-cages and the double 6-ring (hexagonal prism) are sterically inaccessible to nitrogen; and so only the supercage (II, II*, and III) cations interact with the nitrogen gas. However, the electric field around these supercage cations are partially shielded by the surrounding oxygen atoms. Because of this shielding, the electrostatic and induction interactions are expected to be lower than that of an isolated ion. Further, the dispersion forces acting on the molecule will be higher since adsorbate molecules also interact with oxygen atoms of the zeolite. 30 From this summary then it follows that silver cations in the SII* position will have a higher electrical field than those in the SII position. This higher electrical field and concomitant -complexation between N2 and Ag+ act to increase the adsorption of N2 for those zeolites which contain the SII* cations. Actually, since the Ag-Y zeolite contains a large population (27.2/uc) of Ag in the SII and a relatively small N2 adsorptive capacity (approximately 5 N2 molec/uc at 1 atm, 25 C), the SII cations have little influence on the adsorptive capacity of the faujasite zeolites because of high shielding 28PDF Image | PSA USING SUPERIOR ADSORBENTS
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