Ionic density distributions near the charged colloids: spherical electric double layers

We have studied the structure of the spherical electric double layers on charged colloids by a density functional perturbation theory, which is based both on the modified fundamental-measure theory for the hard spheres and on the one-particle direct correlation functional (DCF) for the electronic re...

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Bibliographic Details
Published in:The Journal of chemical physics 2013-11, Vol.139 (19), p.194711-194711
Main Authors: Kim, Eun-Young, Kim, Soon-Chul
Format: Article
Language:English
Subjects:
Approximation
APPROXIMATIONS
BOLTZMANN STATISTICS
Charging
COLLOIDS
COMPUTERIZED SIMULATION
CORRELATION FUNCTIONS
DENSITY
DENSITY FUNCTIONAL METHOD
DISTRIBUTION
ELECTROLYTES
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
MATHEMATICAL METHODS AND COMPUTING
MEASURE THEORY
PARTICLES
PERTURBATION THEORY
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Summary:We have studied the structure of the spherical electric double layers on charged colloids by a density functional perturbation theory, which is based both on the modified fundamental-measure theory for the hard spheres and on the one-particle direct correlation functional (DCF) for the electronic residual contribution. The contribution of one-particle DCF has been approximated as the functional integration of the second-order correlation function of the ionic fluids in a bulk phase. The calculated result is in very good agreement with the computer simulations for the ionic density distributions and the zeta potentials over a wide range of macroion sizes and electrolyte concentrations, and compares with the results of Yu et al. [J. Chem. Phys. 120, 7223 (2004)] and modified Poisson-Boltzmann approximation [L. B. Bhuiyan and C. W. Outhwaite, Condens. Matter Phys. 8, 287 (2005)]. The present theory is able to provide interesting insights about the charge inversion phenomena occurring at the interface.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4832379