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Nonlocal Poisson-Fermi model for ionic solvent.
Xie, Dexuan; Liu, Jinn-Liang; Eisenberg, Bob.
Afiliación
  • Xie D; Department of Mathematical Sciences, University of Wisconsin-Milwaukee, Milwaukee, Wisconsin, 53201-0413, USA.
  • Liu JL; Department of Applied Mathematics, National Hsinchu University of Education, Hsinchu 300, Taiwan.
  • Eisenberg B; Department of Molecular Biophysics and Physiology, Rush University, Chicago, Illinois 60612, USA.
Phys Rev E ; 94(1-1): 012114, 2016 Jul.
Article en En | MEDLINE | ID: mdl-27575084
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-like 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 Poisson-Fermi solution and a corresponding Poisson solution.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Rev E Año: 2016 Tipo del documento: Article País de afiliación: Estados Unidos

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Rev E Año: 2016 Tipo del documento: Article País de afiliación: Estados Unidos