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arXiv · 2205.12513

On the asymptotic limit of steady state Poisson--Nernst--Planck equations with steric effects

Jhih-Hong Lyu·Tai-Chia Lin
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Abstract

When ions are crowded, the effect of steric repulsion between ions becomes significant and the conventional Poisson--Boltzmann (PB) equation (without steric effect) should be modified. For this purpose, we study the asymptotic limit of steady state Poisson--Nernst--Planck equations with steric effects (PNP-steric equations). By the assumptions of steric effects, we transform steady state PNP-steric equations into a PB equation with steric effects (PB-steric equation) which has a parameter $Λ$ and positive constants $λ_i$'s (depend on the radii of ions and solvent molecules). The nonlinear term of PB-steric equation is mainly determined by a Lambert type function which represents the concentration of solvent molecules. As $Λ=0$, the PB-steric equation becomes the conventional PB equation but as $Λ>0$, a large $Λ$ makes the steric repulsion (between ions and solvent molecules) stronger. This motivates us to find the asymptotic limit of PB-steric equation as $Λ$ goes to infinity. Under the Robin (or Neumann) boundary condition, we prove theoretically and numerically that the PB-steric equation has a unique solution $ϕ_Λ$ which converges to solution $ϕ^*$ of a modified PB (mPB) equation as $Λ$ tends to infinity. Our results show that the limiting equation of PB-steric equation (as $Λ$ goes to infinity) is a mPB equation which has the same form (up to scalar multiples) as those mPB equations in \cite{1942bikerman,1997borukhov,2007kilic,2009li,2009li2,2013li,2011lu}. Therefore, the PB-steric equation can be regarded as a generalized model of mPB equations.

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Jhih-Hong Lyu, Tai-Chia Lin. 2022-05-25. On the asymptotic limit of steady state Poisson--Nernst--Planck equations with steric effects. https://arxiv.org/abs/2205.12513

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