Monte Carlo study of molten salt with charge asymmetry near the electrode surface.

Results of the Monte Carlo simulation of the electrode | molten salt or ionic liquid interface are reported. The system investigated is approximated by the primitive model of electrolyte being in contact with a charged hard wall. Ions differ in charges, namely anions are divalent and cations are monovalent but they are of the same diameter d = 400 pm. The temperature analysis of heat capacity at a constant volume Cv and the anion radial distribution function, g2-/2-, allowed the choice of temperature of the study, which is T = 2800 K and corresponds to T(*) = 0.34 (definition of reduced temperature T(*) in text). The differential capacitance curve of the interface with the molten salt or ionic liquid at c = 5.79 M has a distorted bell shape. It is shown that with increasing electrolyte concentration from c = 0.4 to 5 M the differential capacitance curves undergo transition from U shape to bell shape.