Condensed Matter Physics, 2014, vol. 17, No. 2, p. 23603:1-10
Solvent primitive model of an electric double layer in slit-like pores: microscopic structure, adsorption and capacitance from a density functional approach
(Instituto de Química, Universidad Nacional Autonoma de México, Circuito Exterior, Ciudad Universitaria, 04510 México, D.F., México)
(Department for the Modelling of Physico-Chemical Processes, Maria Curie-Sklodowska University, Gliniana33, Lublin, Poland)
We investigate the electric double layer formed between charged walls of a slit-like pore and a solvent primitive model (SPM) for electrolyte solution. The recently developed version of the weighted density functional approach for electrostatic interparticle interaction is applied to the study of the density profiles, adsorption and selectivity of adsorption of ions and solvent species. Our principal focus, however, is in the dependence of differential capacitance on the applied voltage, on the electrode and on the pore width. We discuss the properties of the model with respect to the behavior of a primitive model, i.e., in the absence of a hard-sphere solvent. We observed that the differential capacitance of the SPM on the applied electrostatic potential has the camel-like shape unless the ion fraction is high. Moreover, it is documented that the dependence of differential capacitance of the SPM on the pore width is oscillatory, which is in close similarity to the primitive model.
solvent primitive model, density functional, electrolyte solutions, adsorption, differential capacitance
61.20.Gy, 61.20.Qg, 65.20.Jk, 68.08.-p, 68.43.De