Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions

• Autorzy: Jinn-Liang Liu , Dexuan Xie , Bob Eisenberg
• Języki publikacji: EN

Abstrakty

EN

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+.

Słowa kluczowe

EN

Electrolytes; Ion channels; Poisson-Boltzmann; Poisson-Fermi

• Wydawca: De Gruyter Open
• Czasopismo: Molecular Based Mathematical Biology
• Rocznik: 2017
• Tom: 5
• Numer: 1
• Strony: 116-124

Daty

wydano

2017-10-26

otrzymano

2017-06-02

zaakceptowano

2017-09-26

online

2017-10-28

Twórcy

autor

Jinn-Liang Liu

• 300,

autor

Dexuan Xie

• , WI 53201-0413,

autor

Bob Eisenberg

• , IL 60612

Identyfikatory

DOI

10.1515/mlbmb-2017-0007