Scaling for rectification of bipolar nanopores as a function of a modified Dukhin number: the case of 1:1 electrolytes

@article{Fertig2021ScalingFR,
  title={Scaling for rectification of bipolar nanopores as a function of a modified Dukhin number: the case of 1:1 electrolytes},
  author={D{\'a}vid Fertig and Zs{\'o}fia Sarkadi and M'onika Valisk'o and Dezső Boda},
  journal={Molecular Simulation},
  year={2021},
  volume={48},
  pages={43 - 56}
}
ABSTRACT The scaling behaviour for the rectification of bipolar nanopores is studied using the Nernst-Planck equation coupled to the Local Equilibrium Monte Carlo method. The bipolar nanopore's wall carries σ and surface charge densities in its two half regions axially. Scaling means that the device function (rectification) depends on the system parameters (pore length, H, pore radius, R, concentration, c, voltage, U, and surface charge density, σ) via a single scaling parameter that is a… 
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References

SHOWING 1-10 OF 92 REFERENCES
Scaling Behavior of Bipolar Nanopore Rectification with Multivalent Ions
We present a scaling behavior of a rectifying bipolar nanopore as a function of the parameter ξ = RP/(λzif), where RP is the radius of the pore, λ is the characteristic screening length of the
From nanotubes to nanoholes: Scaling of selectivity in uniformly charged nanopores through the Dukhin number for 1:1 electrolytes.
TLDR
This modeling study using the Local Equilibrium Monte Carlo method and the Poisson-Nernst-Planck theory provides concentration, flux, and selectivity profiles that show whether the surface or the volume conduction dominates in a given region of the nanopore for a given combination of the variables.
Poisson-Nernst-Planck model of ion current rectification through a nanofluidic diode.
  • D. Constantin, Z. Siwy
  • Physics
    Physical review. E, Statistical, nonlinear, and soft matter physics
  • 2007
TLDR
Under certain conditions the rectification degree, defined as a ratio of currents recorded at the same voltage but opposite polarities, can reach values of over 1000 at a voltage range <-2 V,+2 V>.
Controlling ion transport through nanopores: modeling transistor behavior.
TLDR
Qualitative agreement between PNP and LEMC results indicates that mean-field electrostatic effects predominantly determine device behavior and the scaling behavior of the device as a function of the Rpore/λD parameter.
Rectification of bipolar nanopores in multivalent electrolytes: effect of charge inversion and strong ionic correlations.
TLDR
This modeling study uses both the mean-field Poisson-Nernst-Planck (PNP) theory and a particle simulation method, Local Equilibrium Monte Carlo (LEMC), to show that phenomena such as overcharging and charge inversion cannot be reproduced with PNP, while LEMC is able to produce nonmonotonic dependence of currents and rectification as a function of surface charge strength.
Ion Transport in Electrically Imperfect Nanopores.
TLDR
An ionic conductance theory for electrically "imperfect" nanopores is presented that not only explains the various power-law relationships but also describes most of the experimental data available in the literature.
Multiscale modeling of a rectifying bipolar nanopore: Comparing Poisson-Nernst-Planck to Monte Carlo.
TLDR
Current data is presented that characterize the nanopore's behavior as a device, as well as concentration, electrical potential, and electrochemical potential profiles, which are appropriate to reproduce the basic behavior of the bipolar nanopore.
Beyond the Tradeoff: Dynamic Selectivity in Ionic Transport and Current Rectification.
TLDR
It is demonstrated that surface conductance generates a dynamical selectivity in ion transport, and this selectivity is controlled by so-called Dukhin, rather than Debye, overlap, suggesting the possibility of designing large-nanopore (10-100 nm), high-conductance membranes exhibiting significant ion selectivity.
Ion rejection properties of nanopores with bipolar fixed charge distributions.
TLDR
The results show that nanopores with bipolar charge distributions can lead to close rejections for both 2-1 and 1-2 asymmetric electrolytes, which is a specific property of bipolar nanopores because these performances cannot be obtained with homogeneously charged nanopores, which strongly reject electrolytes with divalent co-ions but are much more permeable to electrolytesWith divalent counterions.
Ion transport in nanopores with highly overlapping electric double layers.
  • Yoav Green
  • Physics
    The Journal of chemical physics
  • 2021
TLDR
An asymptotic solution is derived, which shows remarkable correspondence to simulations of the non-approximated equations, and it is shown that the uniform potential model is only an approximation for the exact solution for small surface charges.
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