Calculation op the adsorption energy of nonpolar molecules on graphite

Summary

The details of an earlier theoretical calculation of the energy of adsorption of simple and complex non-polar molecules on graphite were presented. The power sums of type$\Sigma r_{i\bar j} ^n$ were calculated for different distances of the adsorbate molecule from the external base plane of graphite, at n=6, 8, 10 and 12, as were also the exponential sums of type$\Sigma e - ^{r_{ij} /} \rho$, at δ=0.28 A. Using approximate quantum mechanics equations, we calculated the constants of three terms of the energy of dispersive attraction, and also the constants of repulsion from the equilibrium condition. The additive scheme was used to calculate the potential curves and equilibrium adsorption energies of complex molecules.