ON THE EQUILIBRIUM OF THE POISSON-NERNST-PLANCK-BIKERMANN MODEL EQUIPPING WITH THE STERIC AND CORRELATION EFFECTS
The Poisson-Nernst-Planck-Bikermann (PNPB) model, in which the ions and water molecules are treated as different species with non-uniform sizes and valences with interstitial voids, can describe the steric and correlation effects in ionic solution neglected by the Poisson-Nernst-Planck and Poisson-Boltzmann theories with point charge assumption. In the PNPB model, the electric potential is governed by the fourth-order Poisson-Bikermann (4PBik) equation instead of the Poisson equation so that it can describe the correlation effect. Moreover, the steric potential is included in the ionic and water fluxes as well as the equilibrium Fermi-like distributions which characterizes the steric effect quantitatively. In this work, we analyze the self-adjointness and the kernel of the fourth-order operator of the 4PBik equation. Also, we show the positivity of the void volume function and the convexity of the free energy. Following these properties, the well-posedness of the PNPB model in equilibrium is given. Furthermore, because the PNPB model has an energy dissipated structure, we adopt a finite volume scheme which preserves the energy dissipated property at the semi-discrete level. Various numerical investigations are given to show the parameter dependence of the steric effect to the steady state
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- Applied Mathematics
- 4904 Pure mathematics
- 4901 Applied mathematics
- 1502 Banking, Finance and Investment
- 0102 Applied Mathematics
- 0101 Pure Mathematics
Citation
Published In
DOI
EISSN
ISSN
Publication Date
Volume
Issue
Start / End Page
Related Subject Headings
- Applied Mathematics
- 4904 Pure mathematics
- 4901 Applied mathematics
- 1502 Banking, Finance and Investment
- 0102 Applied Mathematics
- 0101 Pure Mathematics