Prediction of Retention Data of Polychlorobenzenes and Polynaphthalenes On Graphitized Carbon-black

The thermodynamic functions of the adsorption of polychlorobenzenes and -naphthalenes on graphitized carbon black have been determined experimentally by gas chromatography and computed theoretically using the methods of the molecular statistical theory of adsorption. The theoretical model includes the contribution of the large anisotropic tensor of polarizability of graphite. The relevance of introducing the dipole moment-induced dipole moment interaction and of using approximate molecular geometries is discussed. The retention orders predicted by theory agree with the experimental orders in most instances. The differential adsorption energies are quantitatively predicted with good accuracy. © 1984.