Journal of Physical Chemistry B, Vol.112, No.11, 3365-3374, 2008
A singlet reference interation site model theory for solid/liquid interfaces part II: Electrical double layers
The previously established singlet reference interaction site model (SRISM) theory for the calculation of the fluid structure in the vicinity of a plane impenetrable interface is renormalized for the application to electrical double layers. In combination with the HNC and KH closures, the equations are solved numerically for a IM electrolyte solution adjacent to a charged wall with varying surface charge densities. The wall-solvent and wall-ion density distributions as well as the profiles of the electrical field and the electrical potential are compared to computer simulation results. Reasonable agreement is obtained.