Thermodynamic characteristics of the adsorption of isomeric molecules of fluoroadamantanes on the surface of the basal face of graphite

Abstract

The thermodynamic characteristics of adsorption (TCA) for isomeric molecules of mono-, di-, tri-, and tetrafluoroadamantanes were determined for the first time experimentally and by molecular statistics on the surface of graphitized thermal black (GTB). The parameters of atom-atom potential function of pair intermolecular interaction (φ(r)) for F atoms included in fluoroadamantanes with C atoms on the basal face of graphite were calculated for the first time within an atom-atom approximation of the semi-empirical molecular statistical theory of adsorption. The adsorption non-equivalence of F atoms in various positions of an adamantane framework, a consequence of the mutual effect of atoms in a framework molecule, was determined. On the basis of the definite TCA values, the conclusion was drawn as to the possibility of isolation of isomeric fluoroadamantanes under the conditions of gas-adsorption chromatography on GTB.