• Title/Summary/Keyword: Electrochemical 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.

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.

Development of the Improved Dynamic Model of the Supercapacitor Considering Self-Discharge (자연방전을 고려한 개선된 슈퍼커패시터의 동특성 모델 개발)

  • Kim, Sang-Hyun;Lee, Kyo-Beum;Choi, Se-Wan;Choi, Woo-Jin
    • The Transactions of the Korean Institute of Power Electronics
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    • v.14 no.3
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    • pp.188-196
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    • 2009
  • Due to its high power density, long cycle life and clean nature supercapacitors are widely used for improving the dynamic characteristics of the new and renewable energy sources and extending the battery run-time and life. In this paper improved dynamic model of the supercapacitor is developed by the electrochemical impedance spectroscopy technique. The developed model can be used to accurately estimate the dynamic behaviour of the supercapacitor and calculate the exact capacitance value at a certain state of charges. The model of the supercapacitor in the frequency domain is equivalently transformed into that in the time domain for Matlab/Simulink simulaton. The simulation data shows fine agreements with experimental results, thereby proving the validity and the accuracy of the developed model.

Methyl Viologen Mediated Oxygen Reduction in Ethanol Solvent: the Electrocatalytic Reactivity of the Radical Cation

  • Lin, Qianqi;Li, Qian;Batchelor-McAuley, Christopher;Compton, Richard G.
    • Journal of Electrochemical Science and Technology
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    • v.4 no.2
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    • pp.71-80
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    • 2013
  • The study of methyl viologen ($MV^{2+}$) mediated oxygen reduction in electrolytic ethanol media possesses potential application in the electrochemical synthesis of hydrogen peroxide mainly due to the advantages of the much increased solubility of molecular oxygen ($O_2$) and high degree of reversibility of $MV^{2+/{\bullet}+}$ redox couple. The diffusion coefficients of both $MV^{2+}$ and $O_2$ were investigated via electrochemical techniques. For the first time, $MV^{2+}$ mediated $O_2$ reduction in electrolytic ethanol solution has been proved to be feasible on both boron-doped diamond and micro-carbon disc electrodes. The electrocatalytic response is demonstrated to be due to the radical cation, $MV^{{\bullet}+}$. The homogeneous electron transfer step is suggested to be the rate determining step with a rate constant of $(1{\pm}0.1){\times}10^5M^{-1}s^{-1}$. With the aid of a simulation program describing the EC' mechanism, by increasing the concentration ratio of $MV^{2+}$ to $O_2$ electrochemical catalysis can be switched from a partial to a 'total catalysis' regime.

Study on the Output Current for Electrochemical Low-energy Neutrino Detector with Regards to Oxygen Concentration

  • Suda, Shoya;Ishibashi, Kenji;Riyana, Eka Sapta;Aida, Yani Nur;Nakamura, Shohei;Imahayashi, Yoichi
    • Journal of Radiation Protection and Research
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    • v.41 no.4
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    • pp.373-377
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    • 2016
  • Background: Experiments with small electrochemical apparatus were previously carried out for detecting low-energy neutrinos under irradiation of reactor neutrinos and under natural neutrino environment. The experimental result indicated that the output current of reactor-neutrino irradiated detector was appreciably larger than that of natural environmental one. Usual interaction cross-sections of neutrinos are quite small, so that they do not explain the experimental result at all. Materials and Methods: To understand the experimental data, we propose that some biological products may generate AV-type scalar field B0, leading to a large interaction cross-section. The output current generation is ascribed to an electrochemical process that may be assisted by weak interaction phenomena. Dissolved oxygen concentrations in the detector solution were measured in this study, for the purpose of understanding the mechanism of the detector output current generation. Results and Discussion: It was found that the time evolution of experimental output current was mostly reproduced in simulation calculation on the basis of the measured dissolved oxygen concentration. Conclusion: We mostly explained the variation of experimental data by using the electrochemical half-cell analysis model based on the DO concentration that is consistent to the experiment.

Numerical Simulation of the Oscillating Flow Effect in the Channel of Polymer Electrolyte Membrane Fuel Cell (왕복 유동을 통한 확산증대 효과가 연료전지 성능에 미치는 영향에 대한 수치해석)

  • Kim, Jongmin;Kang, Kyung-Sik
    • Journal of the Korea Safety Management & Science
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    • v.20 no.4
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    • pp.7-13
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    • 2018
  • This study investigates the enhancement of the oxygen diffusion rate in the cathode channel of a proton exchange membrane fuel cell (PEMFC) by pure oscillating flow, which is the same as the mechanism of human breathe. Three-dimensional numerical simulation, which has the full model of the fuel cell including electrochemical reaction, ion and electronic conduction, mass transfer and thermal variation and so on, is performed to show the phenomena in the channel at the case of a steady state. This model could analysis the oscillating flow as a moving mesh calculation coupled with electrochemical reaction on the catalyst layer, however, it needs a lot of calculation time for each case. The two dimensional numerical simulation has carried on for the study of oscillating flow effect in the cathode channel of PEMFC in order to reduce the calculation time. This study shows the diffusion rate of the oxygen increased and the emission rate of the water vapor increased in the channel by oscillating flow without any forced flow.

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.