Density-functional theory of spherical electric double layers and ζ potentials of colloidal particles in restricted-primitive-model electrolyte solutions
YX Yu, J Wu, GH Gao - The Journal of chemical physics, 2004 - pubs.aip.org
A density-functional theory is proposed to describe the density profiles of small ions around
an isolated colloidal particle in the framework of the restricted primitive model where the …
an isolated colloidal particle in the framework of the restricted primitive model where the …
A nonlocal free‐energy density‐functional approximation for the electrical double layer
L Mier‐y‐Teran, SH Suh, HS White… - The Journal of Chemical …, 1990 - pubs.aip.org
We construct a free‐energy density‐functional approximation for the primitive model of the
electrical double layer. The hard‐sphere term of the free‐energy functional is based on a …
electrical double layer. The hard‐sphere term of the free‐energy functional is based on a …
Simulations of solvent effects on confined electrolytes
L Zhang, HT Davis, HS White - The Journal of chemical physics, 1993 - pubs.aip.org
Monte Carlo simulations are reported for the solvent primitive model (SPM) of the electrical
double layer at electrically charged and neutral surfaces. Both solvent and ions are modeled …
double layer at electrically charged and neutral surfaces. Both solvent and ions are modeled …
The spherical double layer: a hypernetted chain mean spherical approximation calculation for a model spherical colloid particle
E Gonzalez-Tovar… - The Journal of Physical …, 1989 - ACS Publications
The structure of an electrolyte around a spherical, charged colloid particle is studied, using a
simple model in which the diameter of the ions in the soution is considered. The hypernetted …
simple model in which the diameter of the ions in the soution is considered. The hypernetted …
Three point extension for hypernetted chain and other integral equation theories: Numerical results
M Lozada‐Cassou, E Díaz‐Herrera - The Journal of chemical physics, 1990 - pubs.aip.org
In a previous paper [M. Lozada-Cassou, J. Chem. Phys. 80, 3344 (1984)], we have
proposed a three point extension for integral equation theories. Here we apply our formalism …
proposed a three point extension for integral equation theories. Here we apply our formalism …
Topological impact of nanopore electrodes on the structure of the electrical double layer and the differential capacitance
A Silva-Caballero, A Lozada-Hidalgo… - Journal of Molecular …, 2023 - Elsevier
The electrical double layer for three different topologies of nanopore electrodes is studied,
ie, the interior and exterior electrical double layers of planar, cylindrical and spherical …
ie, the interior and exterior electrical double layers of planar, cylindrical and spherical …
Density functional study on the structures and thermodynamic properties of small ions around polyanionic DNA
K Wang, YX Yu, GH Gao - Physical Review E—Statistical, Nonlinear, and Soft …, 2004 - APS
A density functional theory (DFT) is presented for describing the distributions of small ions
around an isolated infinitely long polyanionic DNA molecule in the framework of the …
around an isolated infinitely long polyanionic DNA molecule in the framework of the …
The structure of electrolytes in cylindrical pores
L Yeomans, SE Feller, E Sánchez… - The Journal of chemical …, 1993 - pubs.aip.org
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 …
ion distributions within and surrounding a charged cylindrical pore for the restricted primitive …
Three‐point extension hypernetted chain, conventional hypernetted chain, and superposition approximations: Numerical results for the force between two plates
M Lozada‐Cassou, E Díaz‐Herrera - The Journal of chemical physics, 1990 - pubs.aip.org
The conventional hypemetted chain/mean spherical (HNC/MS) equation and a
superposition approximation to the Bom-Green-Yvon (BGY) equation are derived and …
superposition approximation to the Bom-Green-Yvon (BGY) equation are derived and …
Modified colloidal primitive model as a homogeneous surface charge distribution: ζ-potential
HM Manzanilla-Granados… - The Journal of Physical …, 2013 - ACS Publications
An integral equations theory is derived and applied to a modified colloidal primitive model
(MCPM), for finite concentration colloidal dispersions. In MCPM, the charge on the colloidal …
(MCPM), for finite concentration colloidal dispersions. In MCPM, the charge on the colloidal …