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arxiv: 1603.05597 · v1 · pith:M5C2OLJ4new · submitted 2016-03-15 · ⚛️ physics.chem-ph · physics.comp-ph· q-bio.BM

A Nonlocal Poisson-Fermi Model for Ionic Solvent

classification ⚛️ physics.chem-ph physics.comp-phq-bio.BM
keywords poisson-fermisolutionionicmodelnonlocalcorrespondingelectrostaticincludes
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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.

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