38 citations · 300 across the 22 of their papers we have counts for
24 papers
Multiscale Modeling of Ion Transport in Nanopores: Fitting Implicit-Water Radial Diffusion Profiles to Explicit-Water Molecular Dynamics
Mónika Valiskó, Salman Shabbir, Eszter Molnárné Lakics +2
We develop a multiscale approach for incorporating molecular-scale transport information into computationally efficient models of ion transport through nanopores. A radially varyin…
Modeling electrolytes in nanopores by Monte Carlo simulations and the Bazant--Storey--Kornyshev model
Nader Nekoubin, David Fertig, Dezső Boda +1
We study electrolyte-filled cylindrical nanopores through Monte Carlo (MC) simulations and the Bazant--Storey--Kornyshev model, for different ionic valencies, sizes, and bulk conce…
Interplay of ion availability and mobility in the loss of cation selectivity for CaCl\textsubscript{2} in negatively charged nanopores: molecular dynamics using scaled-charge models
Salman Shabbir, Dezső Boda, Zoltán Ható
Ion transport through charged nanopores is commonly interpreted in terms of electrical double layer structure, leading to the expectation of cation-selective conduction in negative…
Scaling for rectification of bipolar nanopores as a function of a modified Dukhin number: the case of 1:1 electrolytes
Dávid Fertig, Zsófia Sarkadi, Mónika Valiskó +1
The scaling behavior for the rectification of bipolar nanopores is studied using the Nernst-Planck equation coupled to the Local Equilibrium Monte Carlo method. The bipolar nanopor…
From nanotubes to nanoholes: scaling of selectivity in uniformly charged nanopores through the Dukhin number for 1:1 electrolytes
Zsófia Sarkadi, Dávid Fertig, Zoltán Ható +2
Scaling of the behavior of a nanodevice means that the device function (selectivity) is a unique smooth and monotonic function of a scaling parameter that is an appropriate combina…
The induced permittivity increment of electrorheological fluids in an applied electric field in association with chain formation: A Brownian Dynamics simulation study
Dávid Fertig, Dezső Boda, István Szalai
We report Brownian Dynamics simulation results for the relative permittivity of electrorheological (ER) fluids in an applied electric field. The relative permittivity of an ER flui…