Simulating Donnan equilibria based on the Nernst-Planck equation
نویسندگان
چکیده
منابع مشابه
Poisson-Boltzmann-Nernst-Planck model.
The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems,...
متن کاملPoisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes I: Finite element solutions
In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to...
متن کاملPoisson-Nernst-Planck equations in a ball
The Poisson Nernst-Planck equations for charge concentration and electric potential in a ball is a model of electro-diffusion of ions in the head of a neuronal dendritic spine. We study the relaxation and the steady state when an initial charge of ions is injected into the ball. The steady state equation is similar to the Liouville-Gelfand-Bratú-type equation with the difference that the bounda...
متن کاملThe Donnan equilibrium: I. On the thermodynamic foundation of the Donnan equation of state.
The thermodynamic equilibrium between charged colloids and an electrolyte reservoir is named after Frederic Donnan who first published on it one century ago (Donnan 1911 Z. Electrochem. 17 572). One of the intriguing features of the Donnan equilibrium is the ensuing osmotic equation of state which is a nonlinear one, even when both colloids and ions obey Van 't Hoff's ideal osmotic pressure law...
متن کاملPoisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes II: size effects on ionic distributions and diffusion-reaction rates.
The effects of finite particle size on electrostatics, density profiles, and diffusion have been a long existing topic in the study of ionic solution. The previous size-modified Poisson-Boltzmann and Poisson-Nernst-Planck models are revisited in this article. In contrast to many previous works that can only treat particle species with a single uniform size or two sizes, we generalize the Borukh...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Geochimica et Cosmochimica Acta
سال: 2018
ISSN: 0016-7037
DOI: 10.1016/j.gca.2018.04.003