Electrical double layer in molten salts taking into account Lennard-Jones potential

Results are presented of canonical ensemble Monte Carlo simulations of molten salt electrical double layers. Electrode surface atoms and ions are modelled as soft spheres with the use of the Lennard-Jones potential. Ions and electrode atoms have the same diameter but differ in the applied energetic Lennard-Jones parameter values. The electrode surface consists of C (graphite), Hg or Pb atoms. The values of the applied parameters allow a comparison of the results obtained with those of real systems. The paper presents such results as: ion distributions, the mean electrostatic potential and differential capacitance. The differential capacitance values are collated with theoretical and experimental results. The capacitance curves obtained by simulations are flatter than experimental ones. The theoretical capacitance values, in contrast to the experimental ones, are smaller at the positive electrode potentials and this difference is due to the occurrence of chemical bonding between anions and electrode surface in experimental systems. (C) 2020 Elsevier Ltd. All rights reserved.