The Journal of Chemical Physics -- January 15, 1993 -- Volume 98, Issue
2, pp. 1436-1450
The structure of electrolytes in cylindrical pores
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Laura Yeomans, Scott E. Feller, Enrique Sánchez, and Marcelo Lozada-Cassou
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Departamento de Física, Universidad Autónoma
Metropolitana-Iztapalapa, Apartado Postal 55-534, 09340 México,
Distrito Federal, México
The hypernetted chain/mean-spherical approximation (HNC/MSA)
equations are derived for ion distributions within and surrounding
a charged cylindrical pore for the restricted primitive model
of electrolytes. The equilibrium density profiles, mean electrostatic
potential profiles, as well as other electrical double-layer structural
parameters are presented and compared with the results of the
Poisson–Boltzmann (PB) equation and with grand Canonical Monte
Carlo data. Quantitative and qualitative differences between
the HNC/MSA and the PB theories are found which are especially
large for small pore diameters. The effect of geometry is investigated
through a comparison with HNC/MSA results for electrolyte confined
within a slit pore formed by two parallel plates of infinite
extension.