• Title, Summary, Keyword: Electrochemical Modeling and Simulation

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A Review on Electrochemical Model for Predicting the Performance of Lithium Secondary Battery (리튬이차전지 성능 모사를 위한 전기화학적 모델링)

  • Yang, Seungwon;Kim, Nayeon;Kim, Eunsae;Lim, Minhong;Park, Joonam;Song, Jihun;Park, Sunho;Appiah, Williams Agyei;Ryou, Myung-Hyun;Lee, Yong Min
    • Journal of the Korean Electrochemical Society
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    • v.22 no.1
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    • pp.43-52
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    • 2019
  • As the application area of lithium secondary batteries becomes wider, performance characterization becomes difficult as well as diverse. To address this issue, battery manufacturers have to evaluate many batteries for a longer period, recruit many researchers and continuously introduce expensive equipment. Simulation techniques based on battery modeling are being introduced to solve such difficulties. Various lithium secondary battery modeling techniques have been reported so far and optimal techniques have been selected and utilized according to their purpose. In this review, the electrochemical modeling based on the Newman model is described in detail. Particularly, we will explain the physical meaning of each equation included in the model; the Butler-Volmer equation, which represents the rate of electrode reaction, the material and charge balance equations for each phase (solid and liquid), and the energy balance. Moreover, simple modeling processes and results based on COMSOL Multiphysics 5.3a will be provided and discussed.

Modeling of Lithium Battery Cells for Plug-In Hybrid Vehicles

  • Shin, Dong-Hyun;Jeong, Jin-Beom;Kim, Tae-Hoon;Kim, Hee-Jun
    • Journal of Power Electronics
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    • v.13 no.3
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    • pp.429-436
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    • 2013
  • Online simulations are utilized to reduce time and cost in the development and performance optimization of plug-in hybrid electric vehicle (PHEV) and electric vehicles (EV) systems. One of the most important factors in an online simulation is the accuracy of the model. In particular, a model of a battery should accurately reflect the properties of an actual battery. However, precise dynamic modeling of high-capacity battery systems, which significantly affects the performance of a PHEV, is difficult because of its nonlinear electrochemical characteristics. In this study, a dynamic model of a high-capacity battery cell for a PHEV is developed through the extraction of the equivalent impedance parameters using electrochemical impedance spectroscopy (EIS). Based on the extracted parameters, a battery cell model is implemented using MATLAB/Simulink, and charging/discharging profiles are executed for comparative verification. Based on the obtained results, the model is optimized for a high-capacity battery cell for a PHEV. The simulation results show good agreement with the experimental results, thereby validating the developed model and verifying its accuracy.

Computer Modeling of the Power Generation System Using Polymer Electrolyte Fuel Cell (고분자 전해질형 연료전지 발전 시스템의 전산모사)

  • Baek, Young-Soon
    • Transactions of the Korean hydrogen and new energy society
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    • v.19 no.5
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    • pp.460-466
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    • 2008
  • In this study, a computer modeling work has been performed for the power generation system using polymer electrolyte fuel cell with Aspen Plus general purpose chemical process simulator. Stoichiometric reactor module was used for the modeling of reformer for the production of hydrogen. For the modeling of the electrochemical reaction, Gibbs reactor module built-in Aspen Plus was utilized. SRK equation of state model was selected for the proper simulation of the overall fuel cell system.

Characteristics of HOMO and LUMO Potentials by Altering Substituents: Computational and Electrochemical Determination

  • Kim, Young-Sung;Kim, Sung-Hoon;Kim, Tae-Kyung;Son, Young-A
    • Textile Coloration and Finishing
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    • v.20 no.5
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    • pp.41-46
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    • 2008
  • Recently, computational calculation of molecular energy potentials and electrochemical reduction/oxidation behaviors are of very importance in view point of prediction of dye's properties such as energy levels and bandgaps of absorption. This can be influenced by their different constituents or substituents in chromogen molecules. Structural conformations and properties with computational modeling calculation are numerically simulated, which are fully or partly based on fundamental laws of physics. In addition, cyclic voltammetric measurement was used to obtain the experimental redox potential values, which were compared to the computed simulation values.

Development of a New Modeling Technique to Simulate 3-dimensional Electroplating System Considering the Effects of Fluid Flow

  • Lim, Kyung-Hwan;Lee, Minsu;Yim, Tai Hong;Seo, Seok;Yi, Kyung-Woo
    • Journal of Electrochemical Science and Technology
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    • v.10 no.4
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    • pp.408-415
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    • 2019
  • Electroplating is a widely used surface treatment method in the manufacturing process of electronic parts and uniformity of the electrodeposition thickness is very crucial for these applications. Since many variables including fluid flow influence the uniformity of the film, it is difficult to conduct efficient research only by experiments. So many studies using simulation have been carried out. However, the most popular simulation technique, which calculates secondary current distribution, has a limitation on the considering the effects of fluid flow on the deposition behavior. And modified method, which is calculating a tertiary current distribution, is limited to a two-dimensional study of simple shapes because of the massive computational load. In the present study, we propose a new electroplating simulation method that can be applied to complex shapes considering the effect of flow. This new model calculates the electroplating process with three steps. First, the thickness of boundary layers on the surface of the cathode plane and velocity magnitudes at the positions are calculated from the simulation of fluid flow. Next, polarization curves of different velocities are obtained by calculations or experiments. Finally, both results are incorporated into the electroplating simulation program as boundary conditions at the cathode plane. The results of the model showed good agreements with the experimental results, and the effects of fluid flow of electrolytes on the uniformity of deposition thickness was quantitatively predicted.

CFD Simulation Tool for Anode-Supported Flat-Tube Solid Oxide Fuel Cell

  • Youssef M. Elsayed.;Lim, Tak-Hyoung;Song, Rak-Hyun;Lee, Seung-Bok;Shin, Dong-Ryul
    • Journal of the Korean Electrochemical Society
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    • v.9 no.4
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    • pp.151-157
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    • 2006
  • A two-dimensional numerical model to study the performance of anode-supported flat-tube solid oxide fuel cell (SOFC) far the cross section of the cell in the flow direction of the fuel and air flows is developed. In this model a mass and charge balance, Maxwell-Stefan equation as well as the momentum equation by using, Darcy's law are applied in differential form. The finite element method using FEMLAB commercial software is used for meshing, discritization and solving the system of coupled differential equations. The current density distribution and fuel consumption as well as water production are analyzed. Experimental data is used to verify a predicted voltage-current density and power density versus current density to judge on the model accuracy.

Modeling of the dynamic behavior of a 12-V automotive lead-acid battery (12V 차량용 납축전지의 동적 거동 모델링)

  • Kim, Sung Tae;Lee, Jeong Bin;Kim, Ui Seong;Shin, Chee Burm
    • Journal of Energy Engineering
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    • v.22 no.2
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    • pp.175-183
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    • 2013
  • For the optimal design of the vehicle electric system, it is important to have a reliable modeling tool to predict the dynamic behavior of the automotive battery. In this work, a one-dimensional modeling was carried-out to predict the dynamic behaviors of a 12-V automotive lead-acid battery. The model accounted for electrochemical kinetics and ionic mass transfer in a battery cell. In order to validate the modeling, modeling results were compared with the experiment data of the dynamic behaviors of the lead-acid batteries of two different capacities that were mounted on the automobiles manufactured by Hyundai Motor Company. The discharge behaviors were measured with various discharge rates of C/3, C/5, C/10, C/20 and combination. And dynamic behaviors of charge and discharge were measured. The voltage curves from the experiment and simulation were in good agreement. Based on the modeling, the distributions of the electrical potentials of the solid and solution phases, and the current density within the electrodes could be predicted as a function of charge and discharge time.

Fuel Cell Modeling with Output Characteristics of Boost Converter (연료전지 모델링 및 부스트 컨버터 출력 특성)

  • Park, Bong-Hee;Choi, Ju-Yeop;Choy, Ick;Lee, Sang-Cheol;Lee, Dong-Ha
    • Journal of the Korean Solar Energy Society
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    • v.34 no.1
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    • pp.91-97
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    • 2014
  • This paper proposes a modeling of fuel cell which replaces dc source during simulation. Fuel cells are electrochemical devices that convert chemical energy in fuels into electrical energy. This system has high efficiency and heat, no environmental chemical pollutions and noise. Proton exchange membrane fuel cells (PEMFC) are commonly used as a residential generator. These fuel cells have different electrical characteristics such as a low voltage and high current compared with solar cells. And there are different behaviors in the V-I curve in the temperature and pressure. Therefore, the modeling of fuel cell should consider wide voltage range and slow current response and the resulting electrical model is applied to boost converter with fuel cell as an input source.

Performance Simulation of Planar Solid Oxide Fuel Cells Characteristics: Computational Fluid Dynamics (전산 유체 모델링을 이용한 평판형 고체산화물 연료전지 작동특성 전산모사)

  • Woo Hyo Sang;Chung Yong-Chae
    • Journal of the Korean Electrochemical Society
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    • v.7 no.2
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    • pp.69-79
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    • 2004
  • To correctly simulate performance characteristics of fuel cells with a modeling method, various physical and chemical phenomena must be considered in fuel cells. In this study, performance characteristics of planar solid oxide fuel cells were simulated by a commercial CFD code, CFD-ACE+. Through simultaneous considerations for mass transfer, heat transfer and charge movement according to electrochemical reactions in the 3-dimensional planar SOFC unit stack, we could successfully predict performance characteristics of solid oxide fuel cells under operation for structural and progress variables. In other words, we solved mass fraction distribution of reactants and products for diffusion and movement, and investigated qualitative and quantitative analysis for performance characteristics in the SOFC unit stack through internal temperature distribution and polarization curve for electrical characteristics. Through this study, we could effectively predict performance characteristics with variables in the unit stack of planar SOFCs and present systematic approach for SOFCs under operation by computer simulation.

Enhanced mass balance Tafel slope model for computer based FEM computation of corrosion rate of steel reinforced concrete coupled with CO2 transport

  • Hussain, Raja Rizwan
    • Computers and Concrete
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    • v.8 no.2
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    • pp.177-192
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    • 2011
  • This research paper aims at computer based modeling of carbonation induced corrosion under extreme conditions and its experimental verification by incorporating enhanced electrochemical and mass balance equations based on thermo-hygro physics with strong coupling of mass transport and equilibrium in micro-pore structure of carbonated concrete for which the previous research data is limited. In this paper the carbonation induced electrochemical corrosion model is developed and coupled with carbon dioxide transport computational model by the use of a concrete durability computer based model DuCOM developed by our research group at concrete laboratory in the University of Tokyo and its reliability is checked in the light of experiment results of carbonation induced corrosion mass loss obtained in this research. The comparison of model analysis and experiment results shows a fair agreement. The carbonation induced corrosion model computation reasonably predicts the quantitative behavior of corrosion rate for normal air dry relative humidity conditions. The computational model developed also shows fair qualitative corrosion rate simulation and analysis for various pH levels and coupled environmental actions of chloride and carbonation. Detailed verification of the model for the quantitative carbonation induced corrosion rate computation under varying relative conditions, different pH levels and combined effects of carbonation and chloride attack remain as scope for future research.