Field Model for Complex Ionic Fluids: Analytical Properties and Numerical Investigation

DOI10.4208/CICP.OA-2019-0223MaRDI QIDQ5163899zbMATH OpenOpenAlexFDO

Authors Jian-Guo Liu, Jinhuan Wang, Yu Zhao, Zhennan Zhou

Publication date 9 November 2021

Published in Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1912.09208

zbMATH Keywords

complex ionic fluidsfinite size effectfinite volume methodvariational structure

Mathematics Subject Classification ID

PDEs in connection with biology, chemistry and other natural sciences (35Q92) Finite volume methods for initial value and initial-boundary value problems involving PDEs (65M08) Stability and convergence of numerical methods for initial value and initial-boundary value problems involving PDEs (65M12) Classical flows, reactions, etc. in chemistry (92E20)

Abstract: In this paper, we consider the field model for complex ionic fluids with an energy variational structure, and analyze the well-posedness to this model with regularized kernels. Furthermore, we deduce the estimate of the maximal density function to quantify the finite size effect. On the numerical side, we adopt a finite volume scheme to the field model, which satisfies the following properties: positivity-preserving, mass conservation and energy dissipation. Besides, series of numerical experiments are provided to demonstrate the properties of the steady state and the finite size effect by showing the equilibrium profiles with different values of the parameter in the kernel.

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Cites work

• A finite-volume method for nonlinear nonlocal equations with a gradient flow structure
• A free energy satisfying discontinuous Galerkin method for one-dimensional Poisson-Nernst-Planck systems
• A free energy satisfying finite difference method for Poisson-Nernst-Planck equations
• A fully discrete positivity-preserving and energy-dissipative finite difference scheme for Poisson-Nernst-Planck equations
• Concentrations in regularizations for 2‐D incompressible flow
• Energetically stable discretizations for charge transport and electrokinetic models
• Poisson-Fermi formulation of nonlocal electrostatics in electrolyte solutions
• Translation of J. D. van der Waals' ``The thermodynamic theory of capillarity under the hypothesis of a continuous variation of density

Cited in

(3)

• Molecular simulation of ionic liquids: complex dynamics and structure
• Application of Truesdell's model of mixtures to an ionic liquid mixture
• Structure-preserving numerical method for Maxwell-Ampère Nernst-Planck model

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