Energy variational approach to study charge inversion (layering) near charged walls (Q713234)

The paper deals with a mathematical model, which describes the charge inversion phenomena in systems with a charged wall. Monte-Carlo computations related to the charge inversion phenomena are discussed. The authors consider the derivation of a modified known system of the Poisson-Nernst-Planck equation including the contribution of the excluded volume effect and the interfacial constant, using the energetic variational approach. Several numerical experiments as the verification of the resulting system of the partial differential equations are presented. Finally, a new modified system is proposed which includes a nonlocal contribution of finite size and an interfacial constraint related to an electro neutrality condition near charged walls/boundaries.