Comparison of density functional and modified Poisson-Boltzmann
structural properties for a spherical double layer
Authors: L.B.Bhuiyan (Laboratory of Theoretical Physics, Department of Physics, Box 23343, University of Puerto Rico, San Juan, Puerto Rico 00931-3343), C.W.Outhwaite (Department of Applied Mathematics, School of Mathematics, The University of Sheffield, Sheffield S3 7RH, UK)
The density functional and modified Poisson-Boltzmann descriptions of a spherical (electric) double layer are compared and contrasted vis-a-vis existing Monte Carlo simulation data (for small ion diameter 4.25·10-10 m) from the literature for a range of physical parameters such as macroion surface charge, macroion radius, valencies of the small ions, and electrolyte concentration. Overall, the theoretical predictions are seen to be remarkably consistent between themselves, being also in very good agreement with the simulations. Some modified Poisson-Boltzmann results for the zeta potential at small ion diameters of 3 and 2·10-10 m are also reported.
spherical double layer, structure, density functional
theory, modified Poisson-Boltzmann
PACS: 05.20.Jj, 61.20.Qg, 82.35.RS, 82.45.Gj
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