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Simulating Performance and Species Crossover in a Vanadium Redox Flow Battery using COMSOL Multiphysics

E. Agar, K. Knehr, C. Dennison, and E. Kumbur
Electrochemical Energy Systems Lab.
Dept. of Mechanical Eng. and Mechanics
Drexel University
Philadelphia, PA

Vanadium redox flow batteries (VRBs) are a promising new energy storage technology designed for use in long term applications such as uninterruptible power supply and coupling with renewable energy sources (i.e. wind and solar). Crossover is the undesired transport of vanadium ions through the ion exchange membrane during operation and is a major factor limiting the overall efficiency and charge ...

FEM Simulation of the Scanning Electrochemical Potential Microscopy (SECPM)

R. Hamou, P. Biedermann, M. Rohwerder, and A. Blumeneau
Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf, Germany

The present work focuses on modeling a new experimental technique: Scanning Electro-chemical Potential Microscopy (SECPM), which is used to probe the potential profile of the electric double layer (EDL). We used an electrostatic approach to compute the EDL potential measured within the metallic probe. Also, we investigated the effect of the interaction of the electrode/probe double layers on the ...

Screening Effects in Probing the Electric Double Layer by Scanning Electrochemical Potential Microscopy

R.F. Hamou[1], P.U. Biedermann[1], A. Erbe[1], and M. Rohwerder[1]
[1]Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf, Germany

A computational method is developed to study probing the electric double layer by Scanning Electrochemical Potential Microscopy. The model is based on a modified Poisson- Boltzmann equation, which takes into account steric effects. We investigated the effect of metallic apex protrusion and the Open Circuit Potential (OCP) of the tip on the probed potential. A clear electrostatic screening effect ...

Three-Dimensional Percolation Properties Simulation of a Marine Coating Based on Its Real Structure Obtained from Ptychographic X-Ray Tomography - new

B. Chen[1], M. Guizar-Sicairos[2], G. Xiong[1], L. Shemilt[1], A. Diaz[2], J. Nutter[1], N. Burdet[1], S. Huo[1], F. Vergeer[3], A. Burgess[4], I. Robinson[1]
[1]London Centre for Nanotechnology, University College London, London, UK
[2]Paul Scherrer Institute, Villigen, Switzerland
[3]AkzoNobel Co. Ltd., Sassenheim, Netherlands
[4]AkzoNobel (UK) Co. Ltd., Tyne and Wear, UK

We present quantitative nano-scale analysis of the 3D spatial structure of an anticorrosive aluminium epoxy barrier marine coating obtained by ptychographic X-ray computed tomography (PXCT) [1-3]. We then use COMSOL Multiphysics® software to perform simulations on the acquired real 3D structure to demonstrate how percolation through this actual 3D structure impedes ion diffusion in the ...

Electrochemical Pickling of Steel for Industrial Applications: Modeling

M. Freda[1], A. Giannetti[1], L. Lattanzi[1], S. Luperi[1]
[1]Centro Sviluppo Materiali, Rome, Italy

The electrochemical pickling of steel has two main purposes: 1) To remove thermal oxide; 2) To dissolve chromium-depleted layer, to reinstate the corrosion-resistant properties of the stainless steel; A reliable, flexible and robust 3D model has been made for simulating the steel electrochemical pickling. This process is modeled as a multiphysics system for the current control. The model ...

Modeling of Charge Transport in Ion Bipolar Junction Transistors

A.V. Volkov[1], K. Tybrandt[1], I.V. Zozoulenko[1], M. Berggren[1]
[1]Organic Electronics, ITN, Linköping University, Norrköping, Sweden

Modeling of an ion bipolar junction transistor (IBJT) is performed using the COMSOL Multiphysics® software. Our model describes the IBJT which was developed and characterized [1]. The IBJT under consideration consists of an anion-selective collector and emitter, a cation-selective base and a neutral junction. The physical model is based on Poisson and Nernst-Planck (PNP) equations. A two ...

Towards the Modeling of Microgalvanic Corrosion in Aluminum Alloys: the Choice of Boundary Conditions

N. Murer[1], N. Missert[2], and R. Bucchheit[1]

[1]Fontana Corrosion Center, Ohio State University, Columbus, OH, USA
[2]Sandia National Laboratories, Albuquerque, NM, USA

Aluminum alloys in near-neutral, mildly aggressive solutions, undergo damage accumulation during corrosion, mostly due to the presence of micrometer-sized constituent intermetallic particles (IMP) that create a microstructural discontinuity at which localized corrosion occurs. The Nernst-Planck equation with electroneutrality is used to simulate current and pH distributions resulting from ...

Zinc Corrosion in a Crevice

C. Taxén, and D. Persson
Swerea-Kimab, Stockholm, Sweden

Corrosion of metals in confined zones is a big industrial problem. The electrochemistry of such localized corrosion processes is complicated by the impact of the corrosion processes on the composition of the local solution. In the present problem, local interaction with the atmosphere causes uptake of O2 and CO2 and evaporation of water from the initially dilute NaCl-solution. This model ...

Modeling of the Transport Phenomena in Lithium-Ion Battery Electrolytes

A. Nyman, M. Behm, and G. Lindbergh
Applied Electrochemistry, School of Chemical Science and Engineering, Royal Institute of Technology Stockholm, Sweden

Modeling of mass transport is an important step in evaluating lithium-ion battery electrolytes and understanding cell performance. For high-power applications, concentration gradients in the electrolyte lead to limiting currents, which limit the power-density of the battery. The model has been used for determining a complete set of transport and thermodynamic properties for LiPF6 dissolved in an ...

Hierarchical Modeling of Polymer Electrolyte Membrane Fuel Cells

J. Dujc[1], J.O. Schumacher[1]
[1]Zurich University of Applied Sciences (ZHAW), Institute of Computational Physics (ICP), Winterthur, Switzerland

A finite element model of a polymer electrolyte membrane fuel cell (PEMFC) is described in this paper. We divide the PEMFC into two separate and parallel 2D regions which are connected by the 1D regions representing the membrane electrode assembly (MEA). COMSOL Multiphysics® was used as a development tool for hierarchical 1D MEA models. Here we present a 1D model that is based on seven governing ...