Deviation from electroneutrality in cylindrical pores

Grand canonical ensemble Monte Carlo simulations are performed to investigate the concentrations of electrolytes in a uniformly charged cylindrical nanopore. The electrolyte inside the pore is assumed to be in equilibrium with a bulk electrolyte solution. Two models of electrolytes, namely the restricted primitive model (RPM) and the RPM plus neutral hard spheres, denoted as the solvent primitive model (SPM) are investigated. The results of the two models are compared, and they are also compared to the numerical solution of the Poisson–Boltzmann equation. The effect of pore wall charge on non-neutrality is reported for the SPM model.