Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions

Jinn-Liang Liu, Dexuan Xie, and Bob Eisenberg. "Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions." Molecular Based Mathematical Biology 5.1 (2017): 116-124. <http://eudml.org/doc/288284>.

@article{Jinn2017,
abstract = {We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correlation efects in electrolyte solutions. The formulation is based on the volume exclusion of hard spheres leading to a steric potential and Maxwell’s displacement field with Yukawa-type interactions resulting in a nonlocal electric potential. The classical Poisson-Boltzmann model fails to describe steric and correlation effects important in a variety of chemical and biological systems, especially in high field or large concentration conditions found in and near binding sites, ion channels, and electrodes. Steric effects and correlations are apparent when we compare nonlocal Poisson-Fermi results to Poisson-Boltzmann calculations in electric double layer and to experimental measurements on the selectivity of potassium channels for K+ over Na+.},
author = {Jinn-Liang Liu, Dexuan Xie, Bob Eisenberg},
journal = {Molecular Based Mathematical Biology},
keywords = {Electrolytes; Ion channels; Poisson-Boltzmann; Poisson-Fermi},
language = {eng},
number = {1},
pages = {116-124},
title = {Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions},
url = {http://eudml.org/doc/288284},
volume = {5},
year = {2017},
}

TY - JOUR
AU - Jinn-Liang Liu
AU - Dexuan Xie
AU - Bob Eisenberg
TI - Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions
JO - Molecular Based Mathematical Biology
PY - 2017
VL - 5
IS - 1
SP - 116
EP - 124
AB - We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correlation efects in electrolyte solutions. The formulation is based on the volume exclusion of hard spheres leading to a steric potential and Maxwell’s displacement field with Yukawa-type interactions resulting in a nonlocal electric potential. The classical Poisson-Boltzmann model fails to describe steric and correlation effects important in a variety of chemical and biological systems, especially in high field or large concentration conditions found in and near binding sites, ion channels, and electrodes. Steric effects and correlations are apparent when we compare nonlocal Poisson-Fermi results to Poisson-Boltzmann calculations in electric double layer and to experimental measurements on the selectivity of potassium channels for K+ over Na+.
LA - eng
KW - Electrolytes; Ion channels; Poisson-Boltzmann; Poisson-Fermi
UR - http://eudml.org/doc/288284
ER -