• Title/Summary/Keyword: Electrochemical modeling

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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.

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.

Electrochemical Analysis and SOC Estimation Techniques by Using Extended Kalman Filter of the Non-aqueous Li-air Battery (비수계 리튬에어 배터리의 전기화학적 분석 및 확장 칼만 필터를 이용한 SOC 추정기법)

  • Yoon, Chang-O;Lee, Pyeong-Yeon;Kim, Jong-Hoon
    • The Transactions of the Korean Institute of Power Electronics
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    • v.23 no.2
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    • pp.106-111
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    • 2018
  • In this work, we propose techniques for estimating the SOC of Li-air battery. First, we describe and explain the operation principle of the Li-air battery. Energy density of the Li-air battery was compared with that of the Li-ion battery. The capacity and impedance value of the fully discharged voltage is analyzed, and the OCV value for SOC estimation is measured through the electrochemical characterization of the Li-air battery. Estimation value is obtained by SOC modeling through extended Kaman filter and is compared with the measurement value from the Coulomb counting method. Moreover, the performance of SOC estimation circuit is evaluated.

Experiment and Electro-Thermo-Chemical Modeling on Rapid Resistive Discharge of Large-Capacity Lithium Ion Battery

  • Doh, Chil-Hoon;Ha, Yoon-Cheol;Eom, Seung-Wook;Yu, Jihyun;Choe, Seon-Hwa;Kim, Seog-Whan;Choi, Jae-Won
    • Journal of Electrochemical Science and Technology
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    • v.13 no.3
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    • pp.323-338
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    • 2022
  • Heat generation and temperature of a battery is usually presented by an equation of current. This means that we need to adopt time domain calculation to obtain thermal characteristics of the battery. To avoid the complicated calculations using time domain, 'state of charge (SOC)' can be used as an independent variable. A SOC based calculation method is elucidated through the comparison between the calculated results and experimental results together. Experiments are carried for rapid resistive discharge of a large-capacitive lithium secondary battery to evaluate variations of cell potential, current and temperature. Calculations are performed based on open-circuit cell potential (SOC,T), internal resistance (SOC,T) and entropy (SOC) with specific heat capacity.

Comparative analysis for the corrosion susceptibility of copper alloys in sandy soil

  • Galai, Mouhsine;Benqlilou, Hanane;Touhami, Mohamed Ebn;Belhaj, Tounsi;Berrami, Khalifa;El Kafssaoui, Hassan
    • Environmental Engineering Research
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    • v.23 no.2
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    • pp.164-174
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    • 2018
  • Corrosion of copper alloys (copper, bronze and brass) in soil was evaluated at ambient temperature using various methods such as electrochemical impedance spectroscopy (EIS), polarization curves and Scanning Electron Microscopy (SEM) coupled with Energy Dispersive Spectroscopy microanalysis measurements. Three equivalent circuits were separately used to interpret the obtained impedance spectra. The EIS measurements indicated that the polarization resistance of all electrodes increases with increasing the immersion time. SEM showed a presence of three layers of corrosion products with various composition and morphology covering each electrode. In addition, it was found that at 20% of moisture content the $R_p$ values and the current density of all electrodes in the studied soil give the following order: copper > bronze > brass. Good consistency between the data obtained from EIS and PP measurements was observed.

Electrochemical Studies on Heptamethine Cyanine Dyes

  • Kim, Young-Sung;Shin, Jong-Il;Park, Soo-Youl;Jun, Kun;Son, Young-A
    • Textile Coloration and Finishing
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    • v.21 no.5
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    • pp.35-40
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    • 2009
  • Computational calculations of molecular orbital and electrochemical redox/oxidation potentials are of very importance to determine the compound properties. The energy levels of molecular orbital were calculated by the density function theory (DFT) with exchange correction functional of local density approximation (LSA) based on the Perdew-Wang (PWC) setting and cyclic voltammetry.

Lab scale electrochemical codeposition experiments for comparison to computational predictions

  • Lafreniere, Philip;Zhang, Chao;Simpson, Michael;Blandford, Edward D.
    • Nuclear Engineering and Technology
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    • v.52 no.9
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    • pp.2025-2033
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    • 2020
  • Signature-based safeguards (SBS) is being developed to assist tradition nuclear material accountancy methods in tracking material in pyroprocessing facilities. SBS involves identifying off-normal scenarios that would result in improper movement of material in a pyroprocessing facilities and determining associated sensor response signatures. SBS investigations are undertaken in the computational space utilizing an electrochemical transport code known as enhanced REFIN with anodic dissolution (ERAD) to calculate the affect of off-normal conditions in the electrorefiner (ER) on material movement. Work is undertaken to experimentally validate the predictions and assumptions made by ERAD for off-normal occurrences. These experiments were undertaken on a benchtop scale and involved operating an electrochemical cell at 10 separate current densities for constant current operations to deposit U and Gd at a W cathode. These experiments were then modeled using ERAD to compare calculated predictions versus analytical experimental results it was found. It was discovered both the experimental and calculated results reflect a trend of increased codeposition of U and Gd with increasing current density. ERAD was thus demonstrated to be useful for predicting trends from anomalous operation but will require further optimization to be utilized as a quantitative design tool.

Computational Modeling of Cyclic Voltammetry on Multi-electron Electrode Reaction using Diffusion Model (확산모델을 이용한 다중전자 전극반응에 대한 순환전위법의 전산모델링)

  • Cho, Ha-Na;Yoon, Do-Young
    • Journal of the Korean Electrochemical Society
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    • v.15 no.3
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    • pp.165-171
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    • 2012
  • Here is implemented MATLAB program to analyze the characteristic curves of cyclic voltammetry which involves the multi-electron electrode reaction considered as key processes in electrochemical systems. For the electrochemical mass-transfer system, Fick's concentration equation subject to semi-infinite diffusion model for the boundary condition was discretized and solved by the explicit finite difference method. The resulting concentration values were converted into currents at each node by using Butler-Volmer equation. Based on the good agreement between the present numerical solution and the existing experimental results, effects of kinetic constants and CV scan rates on the reaction mechanism in multi-electron transfer processes were investigated effectively.

Analysis of Research Trends on Electrochemical-Mechanical Planarization (전기화학-기계적 평탄화에 관한 연구 동향 분석)

  • Lee, Hyunseop;Kim, Jihun;Park, Seongmin;Chu, Dongyeop
    • Tribology and Lubricants
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    • v.37 no.6
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    • pp.213-223
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    • 2021
  • Electrochemical mechanical planarization (ECMP) was developed to overcome the shortcomings of conventional chemical mechanical planarization (CMP). Because ECMP technology utilizes electrochemical reactions, it can have a higher efficiency than CMP even under low pressure conditions. Therefore, there is an advantage in that it is possible to reduce dicing and erosions, which are physical defects in semiconductor CMP. This paper summarizes the papers on ECMP published from 2003 to 2021 and analyzes research trends in ECMP technology. First, the material removal mechanisms and the configuration of the ECMP machine are dealt with, and then ECMP research trends are reviewed. For ECMP research trends, electrolyte, processing variables and pads, tribology, modeling, and application studies are investigated. In the past, research on ECMP was focused on basic research for the development of electrolytes, but it has recently developed into research on tribology and process variables and on new processing systems and applications. However, there is still a need to increase the processing efficiency, and to this end, the development of a hybrid ECMP processing method using another energy source is required. In addition, ECMP systems that can respond to the developing metal 3D printing technology must be researched, and ECMP equipment technology using CNC and robot technology must be developed.

A Numerical Modeling of the Temperature Dependence on Electrochemical Properties for Solid Oxide Electrolysis Cell(SOEC) (고체 산화물 수전해 시스템(SOEC)에서 전기화학적 특성의 온도 의존성에 대한 수치 모델링)

  • Han, Kyoung Ho;Jung, Jung Yul;Yoon, Do Young
    • Journal of Energy Engineering
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    • v.29 no.2
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    • pp.1-9
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    • 2020
  • In recent days, fuel cell has received attention from the world as an alternative power source to hydrocarbon used in automobile engines. With the industrial advances of fuel cell, There have been a lot of researches actively conducted to find a way of generating hydrogen. Among many hydrogen production methods, Solid Oxide Electrolysis Cell(SOEC) is not only a basic way but also environment-friendly method to produce hydrogen gas. Solid Oxide Electrolysis Cell has lower electrical energy demands and high thermal efficiency since it is possible to operate under high temperature and high pressure conditions. For these reasons, experimental researches as well as studies on numerical modeling for Solid Oxide Electrolysis Cell have been under way. However, studies on numerical modeling are relatively less enough than experimental accomplishments and have limited performance prediction, which mostly is considered as a result from inadequate effects of electrochemical properties by temperature and pressure. In this study, various experimental studies of commercial Membrane Electrode Assembly (MEA) composed of Ni-YSZ (40wt%, Ni-60 wt% YSZ)/8-YSZ (TOSOH, TZ8Y)/LSM (La0.9Sr0.1MnO3) was utilized for improving effectiveness of SOEC model. After numerically analyzing effects of electrochemical properties according to operating temperature, causing the largest deviation between experiments and simulation are that Charge Transfer Coefficient (CTC), exchange current density, diffusion coefficient, electrical conductivity in SOEC. Analyzing temperature effect on parameter used in overpotential model is conducted for modeling of SOEC. cross-validation method is adopted for application of various MEA and evaluating feasibility of model. As a result, the study confirm that the numerical model of SOEC based on structured process of effectiveness evaluation makes performance prediction better.