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The double-layer of penetrable ions: An alternative route to charge reversal
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10.1063/1.4802994
/content/aip/journal/jcp/138/17/10.1063/1.4802994
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/17/10.1063/1.4802994
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The counterion density profile in the dilute limit (no coions). The dotted lines demarcate the limiting behaviors in Eqs. (23) and (24) . The wall charge is positive and the counterions have negative charge. As increases, the profile takes the exponential shape.

Image of FIG. 2.
FIG. 2.

The counterion density profile near a charged wall. = 0 corresponds to point ions. The relevant lengths are: κ = 0.3 nm, λ = 0.72 nm, and λ = 0.09 nm.

Image of FIG. 3.
FIG. 3.

The coion distribution at a charged wall corresponding to the system in Fig. 2 . The coions are in excess to neutralize the inverted charge. Note that the density profile exhibits oscillations.

Image of FIG. 4.
FIG. 4.

Electrostatic potential near a charged wall corresponding to the system in Fig. 2 . The minimum corresponds to a point of vanishing electrostatic field.

Image of FIG. 5.
FIG. 5.

Pair potential for two overlapping identical ions with charge distribution in Eq. (26) . corresponds to the distribution in Eq. (19) .

Image of FIG. 6.
FIG. 6.

The counterion density profile near a charged wall for the point ions and for the ions with the distribution in Eq. (26) for = 0.8 nm and different . The system parameters are those in Fig. 2 .

Image of FIG. 7.
FIG. 7.

Counterion density profiles. The system parameters are: λ = 0.09 nm and λ = 0.72 nm. The symbols designate the simulation data points and the lines are the numerical results for the FSPB equation.

Image of FIG. 8.
FIG. 8.

The coion density profile for = 0.8 nm obtained from the simulation (symbols) and the FSPB equation (solid line). The remaining parameters are as in Fig. 7 .

Image of FIG. 9.
FIG. 9.

Configuration snapshot of counterions adsorbed on the charged wall at < 0.35 nm. The diameter of particles is σ = 0.5 nm and is selected arbitrarily for visualization. The configuration on left is for = 0.14 and the one on the right is for = 1.1. The 2D densities are ρ = 2.34 nm and ρ = 2.68 nm, respectively. For comparison, the surface charge density is σ = 2.50 nm. The system parameters are as in Fig. 7 .

Image of FIG. 10.
FIG. 10.

Correlation function for counterions in the lateral plane adjacent to the wall. The layer thickness is 0.35 nm. The remaining parameters are the same as in Fig. 7 . The dashed lines guide the eye.

Image of FIG. 11.
FIG. 11.

The nearest neighbor separation distribution for different ω() functions. = 0.8 nm and the same parameters as in Fig. 7 .

Image of FIG. 12.
FIG. 12.

Counterion distribution function for symmetric solution with ion charge ±. The remaining parameters are the same as in Fig. 7 . The circles are the simulation data points and the lines are obtained from the FSPB.

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/content/aip/journal/jcp/138/17/10.1063/1.4802994
2013-05-01
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The double-layer of penetrable ions: An alternative route to charge reversal
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/17/10.1063/1.4802994
10.1063/1.4802994
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