NONNEUTRALITY IN A CHARGED CAPILLARY

Grand canonical Monte Carlo simulations are reported for ions inside a charged cylindrical pore. A single ion deletion/insertion method is a dopted which allows individual ions to be in equilibrium with an exter nal solution. The charges of the ions inside the pore, however, do not balance those on the wall. This non-neutrality phenomenon ap rees wit h molecular dynamics simulation results, and in the case of a spherica l pore geometry, with GCMC results. The correlations of this non-neutr ality with the surface charge density, the pore size, and the simulati on cell length are discussed.