Article
Chemistry, Physical
SeongWoo Jeong, Ning Wang, Sho Kitano, Hiroki Habazaki, Yoshitaka Aoki
Summary: This research clarifies the mechanism of promoting cathode reactions on proton-conducting ceramics at low temperatures by blocking oxide ion conduction to enhance proton transfer, reducing cathode polarization resistance in HMFCs. The study reveals that increased interfacial proton concentration gradient leads to more efficient utilization of overpotential in HMFCs.
ADVANCED ENERGY MATERIALS
(2021)
Article
Construction & Building Technology
Feras Alsheet, A. Ghani Razaqpur, Younggy Kim
Summary: A chloride binding model was proposed, which consisted of physical adsorption and chemical ion exchange. The chemical binding part was quantified based on the thermodynamic equilibrium of relevant hydrated phases, while the physical adsorption was modeled using a Freundlich-type isotherm. The results of the proposed model were compared with experimental data and found to be satisfactory. The model was implemented in the Nernst-Planck-Poisson (NPP) reactive transport model, accurately predicting the concentration profiles of free and total chloride in cement paste and concrete specimens. Comparison with a traditional chloride diffusion model showed that using a well-established formula to estimate the apparent diffusion coefficient and applying it in Fick's model resulted in significantly erroneous estimates compared to experimental data. Finally, the NPP model revealed that chloride transport by diffusion was limited to the region near the exposed surface, while electromigration dominated in the concrete bulk.
JOURNAL OF MATERIALS IN CIVIL ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Ziang Xu, Yiwen Liao, Maobin Pang, Lei Wan, Qin Xu, Yihan Zhen, Baoguo Wang
Summary: Water dissociation with bipolar membranes is optimized by constructing a stable C-C covalent interlocking interlayer, which enhances physical binding strength and ionic transportation rate. This design achieves unprecedented water dissociation performance and long-term stability. It also enables continuous NH3 electrosynthesis with high efficiency, low energy consumption, and state-of-the-art yield, providing innovative design principles for emerging ampere-level BM electrochemical devices.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Mathematics, Applied
Yiya Qiu, Lifeng Zhao
Summary: We construct a special C1, α blow up solution to the three dimensional system modeling electro-hydrodynamics, which is strongly coupled with incompressible Euler equation and Nernst-Planck-Poisson equation. Our construction lies on the framework established in Elgindi et al. (2021) and relies on a special solution to variant spherical Laplacian.
NONLINEAR ANALYSIS-THEORY METHODS & APPLICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Zengming Zhang, Chenkun Li, Jianbo Zhang, Michael Eikerling, Jun Huang
Summary: Ion transport in nanoconfined electrolytes exhibits nonlinear effects and boundary effects, which are crucial for the design of electrochemical energy systems. A nonlinear Poisson-Nernst-Planck theory is employed to study ion transport in nanoconfined electrolytes with different cell configurations. Nonmonotonic charging behavior is observed when the electrolyte is placed between a blocking electrode and an electrolyte reservoir, while normal monotonic behaviors are seen when the electrolyte is placed between two blocking electrodes. The impedance shapes depend on the definition of surface charge and the electrode potential, with the possibility of an additional arc at potentials away from the potential of zero charge.
Article
Computer Science, Interdisciplinary Applications
Hailiang Liu, Zhongming Wang, Peimeng Yin, Hui Yu
Summary: In this paper, we propose and analyze third order positivity-preserving discontinuous Galerkin schemes for solving the time-dependent system of Poisson-Nernst-Planck equations. Our method ensures the positivity of numerical solutions and restores it through a scaling limiter.
JOURNAL OF COMPUTATIONAL PHYSICS
(2022)
Article
Chemistry, Physical
G. Barbero, A. M. Scarfone
Summary: The DC response of an electrochemical system under an external potential difference is investigated using the Poisson-Nernst-Planck model. It is found that the current density exhibits a functional dependence on the applied potential difference similar to the Butler-Volmer equation for an electrolytic cell.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Mathematics, Applied
Vaclav Klika, Eamonn A. Gaffney
Summary: The Poisson-Nernst-Planck equations describe the behavior of ions in electrolytes, especially near charged surfaces. The complexity of these surfaces often makes it difficult to directly predict osmotic swelling pressures caused by ion behaviors. However, by using upscaling techniques, the behavior of swelling pressure on large scales can be determined without solving the complex PNP equations, although this is more challenging when the periodicity is only approximate.
APPLIED MATHEMATICS LETTERS
(2023)
Article
Mathematics
Evgeny S. Asmolov, Tatiana Nizkaya, Olga Vinogradova
Summary: In this study, we have derived a non-linear outer solution for the electric field and concentrations of catalytic swimmers with any shape, and determined the velocity of particle self-propulsion. Our approach allows us to include the complicated effects of anisotropy and inhomogeneity of surface ion fluxes, leading to more accurate calculations.
Article
Chemistry, Analytical
Roshanak Dolatabadi, Ali Mohammadi, Mostafa Baghani
Summary: The study focuses on the ion transport mechanism in electromembrane extraction (EME) and uses a 2D numerical simulation to analyze mass transfer behavior and analyte recovery. Factors such as initial analyte concentration, SLM thickness, applied potential, diffusion coefficient, and reservoir pH are considered as process variables. The model predicts that analyte diffusivity, distribution coefficient, and protonation levels in the solutions play key roles in EME.
ANALYTICA CHIMICA ACTA
(2021)
Article
Mathematics, Applied
Rong Shen, Yong Wang
Summary: This study examines the stability of the stationary solution to the three-dimensional damped Poisson-Nernst-Planck-Euler equations. It demonstrates that under a general nonconstant doping profile, the stationary system only has a semitrivial solution. Additionally, under small initial data, the existence and uniqueness of the global strong solution to the nonstationary system are proven.
MATHEMATICAL METHODS IN THE APPLIED SCIENCES
(2022)
Review
Mathematics, Applied
Peter Constantin, Mihaela Ignatova, Fizay-Noah Lee
Summary: This study focuses on the Nernst-Planck-Navier-Stokes system in bounded domains of Rd, where existence of smooth steady state solutions is proven and conditions for nonzero fluid velocity are presented. It is shown that all time dependent solutions in three spatial dimensions become uniformly bounded after a finite transient time, independent of initial size. Additionally, one-dimensional steady states with steady nonzero currents are globally nonlinearly stable in a three-dimensional periodic strip under certain conditions.
PHYSICA D-NONLINEAR PHENOMENA
(2022)
Article
Electrochemistry
S. M. Rezaei Niya, J. Andrews
Summary: This study investigates the charge storage and distribution in a porous conductive carbon material in the presence and absence of electrolyte using the Poisson-Nernst-Planck equations for the first time. The results show that the charge distribution inside the pores is negligible without electrolyte. With cations and anions present in the electrolyte, the distribution of charge on the pore surfaces and the ionic concentration gradients in the electrolyte are numerically evaluated. The modeling predictions suggest a shift in the pore structure from a classic electric double layer to a near-uniform ion storage for smaller nano-level pores.
ELECTROCHIMICA ACTA
(2022)
Article
Mathematics, Applied
Gershon Wolansky
Summary: We study the linearized Poisson-Nernst-Planck (PNP) equation under closed ends and provide a stochastic interpretation of the equation. The explicit expansion of the heat kernel reveals the eigenvalues and eigenstates of the PNP equation.
MATHEMATICAL METHODS IN THE APPLIED SCIENCES
(2023)
Article
Engineering, Chemical
Haolan Tao, Zhi Xu, Cheng Lian, Rene van Roij, Honglai Liu
Summary: The development of high-performance supercapacitors relies on the effective utilization of pores for charge storage. However, quantitatively relating the porous structure to charging dynamics remains a challenge. In this study, we use a laminate-electrode model and an equivalent circuit model to characterize the relationship between the structure and charging dynamics of porous electrodes. We find that the charging dynamics of graphene-based supercapacitors are dominated by ion diffusion from the electrolyte region into the layered structure.
