Screening Effects in Probing the Electric Double Layer by Scanning Electrochemical Potential Microscopy
R.F. Hamou, P.U. Biedermann, A. Erbe, and M. Rohwerder
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 ...
J. Blackburn , N. McCartney ,
 National Physical Laboratory, London, UK
We present computer simulation results for PEM fuel cells using COMSOL Multiphysics® software. We have developed novel PDE equations at NPL from first principles and these are more realistic than models typically used in literature. The theory includes Maxwell-Stephan and Nernst-Planck equations for the diffusion and electrochemistry as well as equations governing electrostatic and stress/strain ...
Three-Dimensional Percolation Properties Simulation of a Marine Coating Based on Its Real Structure Obtained from Ptychographic X-Ray Tomography - new
B. Chen, M. Guizar-Sicairos, G. Xiong, L. Shemilt, A. Diaz, J. Nutter, N. Burdet, S. Huo, F. Vergeer, A. Burgess, I. Robinson
London Centre for Nanotechnology, University College London, London, UK
Paul Scherrer Institute, Villigen, Switzerland
AkzoNobel Co. Ltd., Sassenheim, Netherlands
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 ...
Towards the Modeling of Microgalvanic Corrosion in Aluminum Alloys: the Choice of Boundary Conditions
N. Murer, N. Missert, and R. Bucchheit
Fontana Corrosion Center, Ohio State University, Columbus, OH, USA
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 ...
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 ...
A.V. Volkov, K. Tybrandt, I.V. Zozoulenko, M. Berggren
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 . 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 ...
M. Freda, A. Giannetti, L. Lattanzi, S. Luperi
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 ...
COMSOL Multiphysics® Simulation of Energy Conversion and Storage Concepts Based on Oxide Crystals - new
C. Cherkouk, M. Zschornak, J. Hanzig, M. Nentwich, F. Meutzner, M. Urena, T. Leisegang, D. C. Meyer
Institute of Experimental Physics, Technische Universität Bergakademie, Freiberg, Germany
Fraunhofer-Technologiezentrum, Freiberg, Germany
A mathematical model based on a finite element method (FEM) is presented as an initial approach for a system converting waste heat energy into chemical energy. This system consists of a pyroelectric LiNbO3 plate placed into a cylinder which undergoes a laminar water flow with an appropriate periodic heat source. It solves the heat transfer equation in non-isothermal flow, where the density of ...
朱国利 , 李亚东 , 李焰 ,
管道输送是油气能源长距离输送的重要途径。目前管道连接多采用焊接完成，焊接是一个复杂的非平衡物理化学过程，焊接接头各组成部分的成分、组织和性能都存在差异，同时还容易产生裂纹、气孔、夹杂和未熔合等焊接缺陷和较大的残余应力，使得焊接接头成为管道工程中的薄弱环节。在服役介质中，焊接接头存在宏观腐蚀电池与微观腐蚀电池耦合的多相电化学反应而引起局部腐蚀，可能导致整个构件失效，引发严重的安全事故，造成重大的经济损失甚至人身伤亡。利用 COMSOL Multiphysics® 多物理场仿真软件的腐蚀模块和二次电流分布接口对 X80 钢焊接接头在 CO2 饱和的 NACE 溶液中的电流密度及电位分布进行了仿真，并利用参数化扫描功能，模拟了焊缝与母材不同比例条件下的腐蚀行为。（图1）、（图2）、（图3）和（图4）分别为焊缝：母材=1:3和1:8条件下焊接接头在 NACE 溶液中的电流密度和电位分布 ...
J. Dujc, J.O. Schumacher
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 ...