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PB-STERIC EQUATIONS: A GENERAL MODEL OF POISSON--BOLTZMANN EQUATIONS.
- 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]
- Subjects :
- *BOLTZMANN'S equation
*CHEMICAL potential
*EQUATIONS
*CAHN-Hilliard-Cook equation
Subjects
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