• 제목/요약/키워드: Electrochemical modeling

검색결과 92건 처리시간 0.029초

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
    • /
    • 제13권3호
    • /
    • pp.429-436
    • /
    • 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
    • 한국염색가공학회지
    • /
    • 제20권5호
    • /
    • pp.41-46
    • /
    • 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.

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

  • 윤창오;이평연;김종훈
    • 전력전자학회논문지
    • /
    • 제23권2호
    • /
    • pp.106-111
    • /
    • 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
    • /
    • 제13권3호
    • /
    • pp.323-338
    • /
    • 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
    • /
    • 제23권2호
    • /
    • pp.164-174
    • /
    • 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
    • 한국염색가공학회지
    • /
    • 제21권5호
    • /
    • pp.35-40
    • /
    • 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
    • /
    • 제52권9호
    • /
    • pp.2025-2033
    • /
    • 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.

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

  • 조하나;윤도영
    • 전기화학회지
    • /
    • 제15권3호
    • /
    • pp.165-171
    • /
    • 2012
  • 본 연구에서는 전기화학계에서 중요한 다중전자의 이동이 수반되는 전극 반응에 대하여 순환전위법의 특성곡선을 모델링하여, MATLAB 프로그램으로 구현하였다. 전극주변의 전기화학 물질전달계에 대하여 반무한 확산모델의 경계조건을 설정하였고, Fick의 농도방정식은 유한차분법으로 전개하여 수치해를 구하였고, Butler-Volmer 식으로부터 계산된 농도값을 전류의 값으로 전환하였다. 본 연구에서 구현된 수치해는 기존의 실험치들과 합리적으로 설명하고 있었으며, 이를 근거로 다중전자 전기화학 반응계에서 반응메카니즘에 대한 전극반응속도 상수와 CV 주사속도 영향을 효과적으로 해석할 수 있었다.

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

  • 이현섭;김지훈;박성민;추동엽
    • Tribology and Lubricants
    • /
    • 제37권6호
    • /
    • pp.213-223
    • /
    • 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.

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

  • 한경호;정정열;윤도영
    • 에너지공학
    • /
    • 제29권2호
    • /
    • pp.1-9
    • /
    • 2020
  • 최근 탄화수소를 에너지원으로 사용하는 엔진을 대체할 동력원으로 연료 전지가 주목을 받게 되면서 수소 생산 기술에 대한 연구가 활발하게 진행되고 있다. 수소를 생산하는 다양한 방법 중에 고체 산화물 수전해 시스템(SOEC)은 수소를 생산하기 위한 기초적이고, 친환경적인 방법이다. 고체 산화물 수전해 시스템은 고온, 고압 조건에서 운전이 가능하여 낮은 에너지 수요와 높은 열효율을 지니기 때문에 실험적인 연구가 활발하게 진행되고 있다. 하지만 실험적인 연구 성과에 비해 수치모델 연구는 비교적 부진하다. 이에 대한 원인으로 기존의 수치모델이 온도와 압력의 변화에 따른 성능 예측의 유효성이 상당히 낮기 때문으로 판단하였다. 이에 본 연구에서는 고체 산화물 수전해 시스템의 셀 성능 예측의 유효성을 높일 수 있는 방안을 제시하기 위해서 Patterened Ni-YSZ cermet electrode(40 wt%, Ni-60 wt% YSZ)/8-YSZ (TOSOH, TZ8Y)/LSM (La0.9Sr0.1MnO3)로 구성된 상용 막-극 접합체의 기존의 연구 데이터를 활용하였다. 온도에 따른 전기화학적 특성의 영향을 수치적으로 분석한 결과, 유효성에 가장 큰 편차를 가져오는 변수들은 charge transfer coefficient(CTC), exchange current density, diffusion coefficient, electrical conductivity인 것으로 나타났다. 온도와 압력에 따른 해당 변수들의 영향 및 경향성을 분석하여 과전압 모델을 제시하였다. 다양한 모델의 적용과 타당성을 확보하기 위해서 교차-검증이 도입되었다. 그 결과, 체계화된 유효성 검증 과정에 기초한 고체 산화물 수전해 시스템의 수치 모델은 뛰어난 성능의 예측 결과를 보여주었다.