This is a study on electrolytes that takes a thermodynamically consistent coupling between mechanics and diffusion into account. It removes some inherent deficiencies of the popular Nernst-Planck model. A boundary problem for equilibrium processes is used to illustrate the features of the new model.

The drift-diffusion (Poisson-Nernst-Planck) model is applied to ionic channels in biological membranes plus surrounding solution baths. Simulations of the K channel in KCl solutions using the TRBDF2 method are presented which show significant boundary layers at the ends of the channel. The computed current-voltage curve for the K channel shows excellent agreement with experimental measurements.

A recently introduced real-space lattice methodology for solving the three-dimensional Poisson-Nernst-Planck equations is used to compute current-voltage relations for ion permeation through the gramicidin A ion channel embedded in membranes characterized by surface dipoles and/or surface charge. Comparisons to a variety of experimental results, presented herein, have proven largely successful....

We consider a one-dimensional steady-state Poisson-Nernst-Planck type model for ionic flow through membrane channels. Improving the classical Poisson-Nernst-Planck models where ion species are treated as point charges, this model includes ionic interaction due to finite sizes of ion species modeled by hard sphere potential from the Density Functional Theory. The resulting problem is a singularl...

We investigate spherically symmetric, static matter configurations with polytropic equation of state for a class of fðRÞmodels in Palatini formalism and show that the surface singularities recently reported in the literature are not physical in the case of Planck scale modified Lagrangians. In such cases, they are just an artifact of the idealized equation of state used. In fact, we show that f...

Empirical potential-based quasi-continuum theory (EQT) provides a route to incorporate atomistic detail into continuum framework such as the Nernst-Planck equation. EQT can also be used to construct a grand potential functional for classical density functional theory (cDFT). The combination of EQT and cDFT provides a simple and fast approach to predict the inhomogeneous density, potential profi...

It is well known that the electric resistivity of concrete is one of the useful durability indicators for chloride induced deterioration of concrete structures. In this study, the influence of air temperature and relative water content ratio in concrete on some measuring results of the electric resistivity was investigated by using the concrete specimens which were exposed in tidal zone. In add...

View A HYBRID ELECTRO-DIFFUSION MODEL FOR NEURAL SIGNALING. A new method is introduced for modeling the three-dimensional movement of ions in neurons. Using the Nernst-Planck equation, concentration gradients and electric fields were evaluated using a weighted moving least-squares algorithm. We incorporate this method into MCell, a Monte-Carlo cell simulator, and present preliminary validation ...