A local, semi-empirical contact condition for the charge profile in an electric double layer with size-asymmetric ions at low electrode charge: comparison with simulations

作者：Bhuiyan Lutful Bari^*; Henderson Douglas

来源：Molecular Simulation, 2011, 37(4): 269-276.

DOI：10.1080/08927022.2010.502561

• electric double layer
• contact conditions
• Monte Carlo simulation

A recently proposed, semi-empirical local condition due to Henderson and Boda [1] for the charge profile at contact with a weakly charged electrode in a planar double layer is adapted to apply to a charge symmetric but size-asymmetric electrolyte. The relation is tested against exact (apart from statistical uncertainties) Monte Carlo simulation data for a primitive model double layer system under varied ionic radius ratios, salt densities and temperatures. The simulation results reveal reliable confirmation of the applicability of the contact condition to electric double layers in planar geometry containing unequal-sized electrolytes at low electrode charges.

• 出版日期2011