相关论文: The Dukhin number as a scaling parameter for selec…
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 combination of the system's parameters. For the uniformly charged…
We show that a modified version of the Dukhin number is an appropriate scaling parameter for the ionic selectivity of uniformly charged nanopores. The modified Dukhin number is an unambiguous function of the variables $\sigma$ (surface…
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 nanopore's wall carries $\sigma$ and $-\sigma$ surface charge…
Traditionally, ion-selectivity in nanopores and nanoporous membranes is understood to be a consequence of Debye overlap, in which the Debye screening length is comparable to the nanopore radius somewhere along the length of the nanopore(s).…
We present a scaling behavior of a rectifying bipolar nanopore as a function of the parameter $\xi=R_{\mathrm{P}}/(\lambda z_{\mathrm{if}})$, where $R_{\mathrm{P}}$ is the radius of the pore, $\lambda$ is the characteristic screening length…
Electric-field-driven electrolyte transport through nanoporous membranes is important for applications including osmotic power generation, sensing and iontronics. We derive an analytical equation in the Debye--H\"uckel regime and a…
Ion transport in extremely narrow nanochannels has gained increasing interest in recent years due to its unique physical properties, and the technological advances that allow us to study them. It is tempting to approach this regime with the…
We demonstrate the role of selectivity variation in the structure of the non-equilibrium extended space-charge using 1D analytic and 2D numerical Poisson-Nernst-Planck models for the electro- diffusive transport of a symmetric electrolyte.…
We characterize the role of electrostatic fluctuations on the charge selectivity of cylindrical nanopores confining electrolyte mixtures. To this end, we develop an extended one-loop theory that can account for correlation effects induced…
In the present study, the ionic transport and selectivity of electrokinetically-driven flow of power-law fluids in a long pH-regulated rectangular nanochannel are analyzed. The electrical potential and momentum equations are numerically…
The interaction between charged objects in an electrolyte solution is a fundamental question in soft matter physics. It is well-known that the electrostatic contribution to the interaction energy decays exponentially with object separation.…
We present a 3D finite element solver for the nonlinear Poisson-Nernst-Planck (PNP) equations for electrodiffusion, coupled to the Stokes system of fluid dynamics. The model serves as a building block for the simulation of macromolecule…
Porous electrode theory (PET) provides essential insights into electrochemical states, but its computational complexity hinders real-time control and obscures scaling relations. To bridge the gap between high-fidelity simulations and…
The electrostatic screening of charge in one-dimensional confinement leads to long-range breakdown in electroneutrality within a nanopore. Through a series of continuum simulations, we demonstrate the principles of electroneutrality…
The reduced 1D Poisson-Nernst-Planck (PNP) model of artificial nanopores in the presence of a permanent charge on the channel wall is studied. More specifically, we consider the limit where the channel length exceed much the Debye screening…
Ionic liquids offer unique bulk and interfacial characteristics as battery electrolytes. Our continuum approach naturally describes the electrolyte on a macroscale. An integral formulation for the molecular repulsion,which can be…
Nanoporous supercapacitors play an important role in modern energy storage systems, and their modeling is essential to predict and optimize the charging behaviour. Two classes of models have been developed that consist of finite and…
Recent advance in nanotechnology has led to rapid advances in nanofluidics, which has been established as a reliable means for a wide variety of applications, including molecular separation, detection, crystallization and biosynthesis.…
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
Very long, one-dimensional (1D) ion chains are the basis for many applications, in particular in quantum information processing and reliable diagnostics are needed to quantify them. To that purpose, we have experimentally validated Dubin's…