Calculation of the Interaction of Adsorption of Inert Gases on to the (100) Face of Sodium Chloride and Argon on to the (100) Face of Potassium Chloride

Abstract

Calculations are presented for the adsorptive potential energy for inert gases on the (100) faces of NaCl and KCl. These are performed using the “exponential-six” equation to calculate dispersion and repulsion terms, and a Fourier expansion method to calculate the electrostatic field interaction. The results are presented as adsorption potential contour maps for the inert gases on NaCl and for Ar on KCl. The isosteric heat at zero coverage is calculated in each case using both mobile and localised adsorption models, and compared with the value predicted using the hindered translation model of Hill.