A Nonlocal Poisson-Fermi Model for Ionic Solvent
نویسندگان
چکیده
We propose a nonlocal Poisson-Fermi model for ionic solvent that includes ion size effects and polarization correlations among water molecules in the calculation of electrostatic potential. It includes the previous Poisson-Fermi models as special cases, and its solution is the convolution of a solution of the corresponding nonlocal Poisson dielectric model with a Yukawa-type kernel function. Moreover, the Fermi distribution is shown to be a set of optimal ionic concentration functions in the sense of minimizing an electrostatic potential free energy. Finally, numerical results are reported to show the difference between a Poisson-Fermi solution and a corresponding Poisson solution.
منابع مشابه
Analysis of a Nonlocal Poisson-Boltzmann Equation
A nonlinear, nonlocal dielectric continuum model, called the nonlocal modified PoissonBoltzmann equation (NMPBE), has been proposed to reflect the spatial-frequency dependence of dielectric permittivity in the calculation of electrostatics of ionic-solvated biomolecules. However, its analysis is difficult due to its definition involving Dirac delta distributions for modeling point charges, expo...
متن کاملPoisson-Fermi Model of Single Ion Activities in Aqueous Solutions
A Poisson-Fermi model is proposed for calculating activity coefficients of single ions in strong electrolyte solutions based on the experimental Born radii and hydration shells of ions in aqueous solutions. The steric effect of water molecules and interstitial voids in the first and second hydration shells play an important role in our model. The screening and polarization effects of water are ...
متن کاملDiscrete aqueous solvent effects and possible attractive forces
We study discrete solvent effects on the interaction of two parallel charged surfaces in ionic aqueous solution. These effects are taken into account by adding a bilinear nonlocal term to the free energy of Poisson–Boltzmann theory. We study numerically the density profile of ions between the two plates, and the resulting interplate pressure. At large plate separations the two plates are decoup...
متن کاملHydration interactions: aqueous solvent effects in electric double layers
A model for ionic solutions with an attractive short-range pair interaction between the ions is presented. The short-range interaction is accounted for by adding a quadratic nonlocal term to the Poisson-Boltzmann free energy. The model is used to study solvent effects in a planar electric double layer. The counterion density is found to increase near the charged surface, as compared with the Po...
متن کاملMicroscopic formulation of nonlocal electrostatics in polar liquids embedding polarizable ions.
Nonlocal electrostatic interactions associated with finite solvent size and ion polarizability are investigated within the mean-field linear response theory. To this end, we introduce a field-theoretic model of a polar liquid composed of linear multipole solvent molecules and embedding polarizable ions modeled as Drude oscillators. Unlike previous dipolar Poisson-Boltzmann formulations treating...
متن کامل