Nonlocal PoissonFermi model for ionic solvent
Abstract
We propose a nonlocal PoissonFermi 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 PoissonFermi models as special cases, and its solution is the convolution of a solution of the corresponding nonlocal Poisson dielectric model with a Yukawalike kernel function. The Fermi distribution is shown to be a set of optimal ionic concentration functions in the sense of minimizing an electrostatic potential free energy. Numerical results are reported to show the difference between a PoissonFermi solution and a corresponding Poisson solution.
 Publication:

Physical Review E
 Pub Date:
 July 2016
 DOI:
 10.1103/PhysRevE.94.012114
 arXiv:
 arXiv:1603.05597
 Bibcode:
 2016PhRvE..94a2114X
 Keywords:

 Physics  Chemical Physics;
 Physics  Computational Physics;
 Quantitative Biology  Biomolecules;
 41.20.Cv;
 77.22.d;
 82.60.Lf;
 87.10.Ed
 EPrint:
 12 pages, 3 figures