Influence of the discreteness-of-charge effect on the anion adsorbability at the electrode–electrolyte interface. A Monte Carlo simulation analysis

A Monte Carlo (MC) simulation was applied to calculate a radial distribution function for anions adsorbed specifically at the electrode–electrolyte interface. The distribution function was used to describe the local charge inhomogeneity called the discreteness-of-charge effect. This effect was caused by electrostatic and steric interactions. The course of the distribution function depended also on the presence or absence of solvent molecules, but this fact did not affect the anion adsorbability. The anion adsorbability depended on the surface charge of the anions adsorbed and, in some cases, on the anion diameter. The MC results allowed an assessment of correctness of Levineʹs approach proving that it could be useful in the anion adsorption analysis in a reasonable range of the anion surface charges.