A Nonlocal Poisson-Fermi Model for Ionic Solvent
Chemical Physics
2016-08-03 v1 Computational Physics
Biomolecules
Abstract
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.
Keywords
Cite
@article{arxiv.1603.05597,
title = {A Nonlocal Poisson-Fermi Model for Ionic Solvent},
author = {Dexuan Xie and Jinn-Liang Liu and Bob Eisenberg and L. Ridgway Scott},
journal= {arXiv preprint arXiv:1603.05597},
year = {2016}
}
Comments
12 pages, 3 figures