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Effective electrodiffusion equation for non-uniform nanochannels
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10.1063/1.4811516
/content/aip/journal/jcp/138/24/10.1063/1.4811516
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/24/10.1063/1.4811516
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Geometries used in the numerical tests, with the set-ups denoted as A (upper) and B (lower). The dashed lines indicate the location of the surface charge. The potential tension is applied between the inlet and outlet regions. Throughout the text, the labels , , , , and are expressed in lattice units.

Image of FIG. 2.
FIG. 2.

Normalized density of counter-ions (left) and co-ions (right plot) for system A for wide (plots (a) and (b) with = 40, = 60, = 20, and = 40), medium (plots (c) and (d) with = 20, = 60, = 20, and = 40), and small (plots (e) and (f) with = 10, = 60, = 20, and = 40) channels, with Δ = 10.

Image of FIG. 3.
FIG. 3.

Comparison of 1D-PNP and 3D-LB longitudinal profiles of the density (upper panels) and the potential (lower panels). The geometries and parameters are as in Fig. 2 .

Image of FIG. 4.
FIG. 4.

Normalized density of electrolytes, electrostatic potential, and longitudinal profiles for system A ( = 20, = 60, = 40, and = 40), with Δ = 0.

Image of FIG. 5.
FIG. 5.

Density of electrolytes normalized by the maximum value ((a) and (b)). (c) compares the 1D-PNP and 3D-LB longitudinal profiles of the density (plot (c), upper) and the potential (plot (c), lower) for system A ( = 20, = 60, = 20, and = 140), with Δ = 10.

Image of FIG. 6.
FIG. 6.

Longitudinal profiles for system A ( = 20, = 60, = 20, and = 40), system B with ( = 20, = 60, = 20, = 10, and = 40), and a smoother version labelled B* ( = 20, = 60, = 20, = 30, and = 0). Data refer to Δ = 0. Plot (a) reports the counter-ion density, plot (b) the electrostatic potential, and plot (c) the relative difference between the 3D-LB and 1D-PNP profiles. The latter plot includes the case of a channel with homogeneous radius ( = 20, = 20, = 20, and = 40).

Image of FIG. 7.
FIG. 7.

Normalized profile of counter-ions and conductance at different Debye lengths as obtained with the 1D-PNP and 3D-LB methods for system A ( = 20, = 60, = 20, and = 40) and Δ = 10. The conductance is normalized by the value = / .

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/content/aip/journal/jcp/138/24/10.1063/1.4811516
2013-06-27
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effective electrodiffusion equation for non-uniform nanochannels
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/24/10.1063/1.4811516
10.1063/1.4811516
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