• 전기화학회지
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• 제22권1호
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• pp.43-52
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• 2019

리튬이차전지(Lithium Secondary Batteries)를 에너지원으로 채용하는 분야가 다양해짐에 따라, 기존 요구 특성뿐만 아니라 각 분야에 특화된 성능 평가 결과까지 요구하고 있다. 이에 대응하기 위해 각 전지 제조사는 연구 인력을 충원하고 고가의 장비를 지속적으로 도입해서 다수의 전지를 오랜 기간 평가해야 하는 어려움을 겪고 있다. 이를 해소하기 위해, 전지 모델링(Modeling)을 기반으로 한 모사(Simulation) 기법을 도입하여, 실험 횟수를 최소화하고 실험 시간도 단축하려는 시도를 지속하고 있다. 현재까지 다양한 리튬이차전지 모델링 기법이 보고되고 있으며, 목적에 따라 최적 기법이 선택 및 활용되어 왔다. 본 리뷰 논문에서는 뉴만(Newman) 모델을 기반으로 한 전기화학적 모델링(Electrochemical Modeling) 기법을 상세히 설명한다. 특히, 전극 반응속도를 나타내는 버틀러-볼머식(Butler-Volmer Equation), 각 상(Phase)에서 전자와 이온의 균형 방정식 (Material and Charge Balance Equations), 그리고 전지의 온도 변화를 설명할 수 있는 에너지 균형 방정식 (Energy Balance Equation)의 물리적 의미를 쉽게 설명하고, COMSOL Multiphysics를 이용한 간단한 해석 과정과 결과를 제시한다.

• Journal of Power Electronics
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• 제13권3호
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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.

• 한국수소및신에너지학회논문집
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• 제19권5호
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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.

• 한국염색가공학회지
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• 제20권5호
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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.

• 전기화학회지
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• 제9권4호
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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.

• Journal of Electrochemical Science and Technology
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• 제13권2호
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• pp.186-198
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• 2022

Heavy metals recovery from Printed Circuit Boards industrial wastewater is crucial because of its cost effectiveness and environmental friendliness. In this study, a copper recovery route combining the sequential processes of acid leaching and LIX 984N extracting with an electrowinning technique from Printed Circuit Boards production's sludge was performed. The used residual sludge was originated from Hanoi Urban Environment One Member Limited Company (URENCO). The extracted solution from the printed circuit boards waste sludge containing a high copper concentration of 19.2 g/L and a small amount of iron (0.575 ppm) was used as electrolyte for the subsequent electrolysis process. By using a simulation model for multi-step current electrolysis, the reasonable current densities for an electrolysis time interval of 30 minutes were determined, to optimize the specific consumption energy for the copper recovery. The mathematical simulation model was built to calculate the important parameters of this process.

• 전기화학회지
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• 제7권2호
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• pp.69-79
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• 2004

전산모사를 이용하여 특성을 정확하게 모사하기 위해서는 전지 내부에서 발생하는 다양한 물리적, 화학적 현상을 고려하여야 한다. 이를 위해, 본 연구에서는 다양한 전지 내부 현상에 대한 변수를 고려할 수 있는 전산유체 상용코드인 CFD-ACE+를 이용하여 평판형 고체산화물 연료전지의 작동 특성을 분석하였다. 단위 스택에서 발생하는 물질전달과 열전달 및 전기화학 반응에 의한 전하이동을 복합적으로 고려하여, 작동조건 하에서 각 공정적, 구조적 변수 변화에 따른 전지특성을 예측하였다. 이러한 전산모사 방법을 통하여 확산과 유동에 의한 전지 내 반응물과 생성물의 mass fraction 분포와 단위 스택의 내부 온도분포 그리고 전지 특성을 나타내는 polarization curve에 의한 고체산화물 연료 전지의 분극 특성을 정성, 정량적으로 제시하였다. 본 연구를 통해 평판형 단위 스택 내에서의 다양한 변수 변화에 따른 전지의 작동 특성에 대한 효율적 예측이 가능하였고, 고체산화물 연료전지 작동 시 발생하는 현상에 대한 전산모사 접근법을 체계적으로 제시할 수 있었다.

• Computers and Concrete
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• 제8권2호
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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.

• 한국표면공학회지
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• 제30권4호
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• pp.239-247
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• 1997

The electrochemical machining of carbon steel was carried in various electrolytes which contain NACl and $NaCIO_3$. Though electrolyte containg NaCl yields fast machining rate, dimensional control is rather difficult. In the case of electrolyte with $NaCIO_3$, dimensional control of anode shape can be obtained through modification of cathode design. Mathematical modeling is also performed for these systems and agreements are good compared with experimental date. The constant gap experiment butween two electrode yielded faster machining rate than constant cathode moving rate experiment.

• Journal of Electrochemical Science and Technology
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• 제10권4호
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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.