English

PB-steric equations: A general model of Poisson-Boltzmann equations

Analysis of PDEs 2024-03-21 v3

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\Lambda, 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\Lambda=0, the PB-steric equation becomes the conventional PB equation, but as Λ>0\Lambda>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\Lambda goes to infinity. Our theoretical results show that the PB-steric equations (for 0Λ0\leq\Lambda\leq\infty) 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.

Keywords

Cite

@article{arxiv.2311.10167,
  title  = {PB-steric equations: A general model of Poisson-Boltzmann equations},
  author = {Jhih-Hong Lyu and Tai-Chia Lin},
  journal= {arXiv preprint arXiv:2311.10167},
  year   = {2024}
}

Comments

16 pages, 1 figure. arXiv admin note: text overlap with arXiv:2205.12513