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PB-STERIC EQUATIONS: A GENERAL MODEL OF POISSON--BOLTZMANN EQUATIONS.

Authors :
JHIH-HONG LYU
TAI-CHIA LIN
Source :
SIAM Journal on Applied Mathematics. 2023, Vol. 83 Issue 4, p1603-1622. 20p.
Publication Year :
2023

Abstract

When ions are crowded, the effect of steric repulsion between ions (which can produce oscillations in charge density profiles) becomes significant and the conventional Poisson--Boltzmann (PB) equation should be modified. Several modified PB equations were developed but the associated total ionic charge density has no oscillation. This motivates us to derive a general model of PB equations called the PB-steric equations with a parameter Λ, which not only include the conventional and modified PB equations but also have oscillatory total ionic charge density under different assumptions of steric effects and chemical potentials. As Λ = 0, the PB-steric equation becomes the conventional PB equation, but as Λ > 0, the concentrations of ions and solvent molecules are determined by the Lambert type functions. To approach the modified PB equations, we study the asymptotic limit of PB-steric equations with the Robin boundary condition as Λ goes to infinity. Our theoretical results show that the PB-steric equations (for 0 ≤ Λ ≤ ∞ ) may include the conventional and modified PB equations. On the other hand, we use the PB-steric equations to find oscillatory total ionic charge density which cannot be obtained in the conventional and modified PB equations. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00361399
Volume :
83
Issue :
4
Database :
Academic Search Index
Journal :
SIAM Journal on Applied Mathematics
Publication Type :
Academic Journal
Accession number :
172432599
Full Text :
https://doi.org/10.1137/22M1516270