A positive and energy stable numerical scheme for the Poisson–Nernst–Planck–Cahn–Hilliard equations with steric interactions

Y Qian, C Wang, S Zhou - Journal of Computational Physics, 2021 - Elsevier
In this work, we consider numerical methods for the Poisson–Nernst–Planck–Cahn–Hilliard
(PNPCH) equations with steric interactions, which correspond to a non-constant mobility H …

How the Thermal Effect Regulates Cyclic Voltammetry of Supercapacitors

T Zhao, S Zhao, S Zhou, Z Xu - ACS Energy Letters, 2023 - ACS Publications
Cyclic voltammetry (CV) is a powerful technique for characterizing the electrochemical
properties of electrochemical devices. During charging–discharging cycles, the thermal …

Positivity preserving finite difference methods for Poisson–Nernst–Planck equations with steric interactions: Application to slit-shaped nanopore conductance

J Ding, Z Wang, S Zhou - Journal of Computational Physics, 2019 - Elsevier
To study ion transport in electrolyte solutions, we propose numerical methods for a modified
Poisson–Nernst–Planck model with ionic steric effects (SPNP). Positivity preserving …

Structure-preserving numerical method for Maxwell-Ampère Nernst-Planck model

Z Qiao, Z Xu, Q Yin, S Zhou - Journal of Computational Physics, 2023 - Elsevier
Charge dynamics play essential role in many practical applications such as semiconductors,
electrochemical devices and transmembrane ion channels. A Maxwell-Ampère Nernst …

Local structure-preserving relaxation method for equilibrium of charged systems on unstructured meshes

Z Qiao, Z Xu, Q Yin, S Zhou - SIAM Journal on Scientific Computing, 2024 - SIAM
This work considers charged systems described by the modified Poisson–Nernst–Planck
(PNP) equations, which incorporate ionic steric effects and the Born solvation energy for …

Second-order, positive, and unconditional energy dissipative scheme for modified Poisson–Nernst–Planck equations

J Ding, S Zhou - Journal of Computational Physics, 2024 - Elsevier
First-order energy dissipative schemes in time are available in literature for the Poisson–
Nernst–Planck (PNP) equations, but second-order ones are still in lack. This work proposes …

An Effective Finite Element Iterative Solver for a Poisson--Nernst--Planck Ion Channel Model with Periodic Boundary Conditions

D Xie, B Lu - SIAM Journal on Scientific Computing, 2020 - SIAM
A system of Poisson--Nernst--Planck equations (PNP) is an important dielectric continuum
model for simulating ion transport across biological membrane. In this paper, a PNP ion …

Modified Poisson--Nernst--Planck Model with Coulomb and Hard-sphere Correlations

M Ma, Z Xu, L Zhang - SIAM Journal on Applied Mathematics, 2021 - SIAM
We develop a modified Poisson--Nernst--Planck model which includes both the long-range
Coulomb and short-range hard-sphere correlations in its free energy functional such that the …

Electric-field-induced oscillations in ionic fluids: a unified formulation of modified Poisson–Nernst–Planck models and its relevance to correlation function analysis

H Frusawa - Soft Matter, 2022 - pubs.rsc.org
We theoretically investigate an electric-field-driven system of charged spheres as a primitive
model of concentrated electrolytes under an applied electric field. First, we provide a unified …

Structure-preserving and efficient numerical methods for ion transport

J Ding, Z Wang, S Zhou - Journal of Computational Physics, 2020 - Elsevier
Ion transport, often described by the Poisson–Nernst–Planck (PNP) equations, is ubiquitous
in electrochemical devices and many biological processes of significance. In this work, we …