Vv. Gvozdev et Yk. Tovbin, NEW METHOD FOR CALCULATING THE ADSORPTION OF NOBLE-GASES ON AMORPHOUSSURFACES, Russian chemical bulletin, 46(6), 1997, pp. 1060-1069
A new approach to calculating the equilibrium characteristics of the a
dsorption of noble gases on the amorphous surfaces of adsorbents was d
eveloped and applied to the Ar-TiO2(rutile) system. Intermolecular ads
orbate-adsorbate interactions are taken into account for the nearest n
eighbors in the quasi-chemical approximation. The lattice energy param
eters of all interactions of the model are determined from the Lennard
-Jones potential (12-6). The formation of amorphous TiO2(rutile) surfa
ce includes completion of the surface layers and partial removal of th
e surface oxygen ions. The quality of the amorphization procedure was
confirmed by the experimentally measured heats and isotherms of adsorp
tion of the system under study.