• Journal of the Korean Electrochemical Society
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• v.14 no.3
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• pp.138-144
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• 2011

The transport phenomena of electron and ion around the electrode have been analyzed, herein the computational program to simulate the electrochemical signal of cyclic voltammetry has been implemented. For the dominant mass-transfer system, the governing equation and its boundary conditions are confined to the semi-infinite diffusion model and the reversible reaction at the electrode. In order to obtain the numerical solutions of cyclic voltammetry, MATLAB was used for the explicit finite difference method. Experimental results from the cyclic voltammetry of electrochemical system(10 mM $K_3Fe(CN)_6$ and 0.1M KCl) upon the ITO glass substrate were compared with the numerical solutions. Present program explains the experimental results fairly well, where they approached the simulated ones closely with deceasing the scan rate. Furthermore, the effects of electrode area, electrochemical reaction constants and transfering coefficients in the cyclic voltammetry were discussed quantitatively.

• Journal of Electrochemical Science and Technology
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• v.15 no.2
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• pp.299-313
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• 2024

Electrochemical machining (ECM) is an effective manufacturing method for difficult-to-machine materials and is widely used in the precision manufacturing of aerospace components. In recent years, the requirements for the machining accuracy and surface integrity of ECM have become increasingly stringent. To further improve the machining quality, this work investigated the intricate laws between electrolyte filtration accuracy and machining quality. Electrolytes with different filtration accuracies were compared, and a numerical simulation was used to evaluate the change in temperature and bubble rate of the flow field in the machining area. Experiments were conducted on ECM of Ti-6Al-4V (TC4) alloy workpieces using electrolytes with different filtration accuracy. The workpiece machining accuracy and surface quality were analyzed, and the repetition accuracy of the workpiece was evaluated. The intricate laws between electrolyte filtration accuracy and machining quality were explored. It was found that when the electrolyte filtration accuracy is improved, so too is the machining quality of the ECM. However, once the filtration accuracy has reached a certain value, the machining quality has extremely limited improvement. By evaluating the repetition accuracy of processed workpieces in electrolytes with different filtration accuracies, it was found that when the filtration accuracy reaches a certain value, there is no positive correlation between the repetition accuracy and filtration accuracy. The result shows that, for the workpiece material and conditions considered in this paper, an electrolyte with 0.5㎛ filtration accuracy is suitable for the wide application of precision ECM.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.34 no.2
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• pp.157-163
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• 2010

Solid oxide fuel cells (SOFCs) are commonly composed of ceramic compartments, and it is known that the physical properties of the ceramic materials can be changed according to the operating temperature. Thus, the physical properties of the ceramic materials have to be properly predicted to develop a highly reliable simulation model. In this study, several physical properties that can affect the performance of SOFCs were selected, and simulation models for those physical properties were developed using our own code. The Gibbs free energy for the open circuit voltage, exchange current densities for the activation polarization, and electrical conductivity for the electrolyte were calculated. In addition, the diffusion coefficient-including the binary and Knudsen diffusion mechanisms-was calculated for mass transport analysis at the porous electrode. The physical property and electrochemical reaction models were then simulated simultaneously. The numerical results were compared with the experimental results and previous works studied by Chan et al. for code validation.

• Journal of the Korean Electrochemical Society
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• v.16 no.3
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• pp.177-183
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• 2013

As the development of available binder in the harsh conditions is needed, we propose the proper binder for high-voltage lithium-ion secondary batteries based on the quantum chemistry modeling. The optimized structures, HOMO (Highest Occupied Molecular Orbital) energies and ionization potentials of 4 binders, which were considered from monomer to tetramer, were investigated by the semi-empirical and DFT (Density Functional Theory) calculations. The results show that the ionization potential values by calculation tend to be close to the oxidation potentials from the measurement of linear sweep voltametry (LSV). The order of oxidative resistance from high value to low value is following: poly(hexafluropropylene), poly(vinylidene fluoride), poly(methyl acrylate) and poly(acryl amide). Also these results correspond with the experimental values. Thus, we find the reason why HOMO (Highest Occupied Molecular Orbital) energy of PHFP has the highest value than other binders by analysis of HOMO orbital structures.

• Geomechanics and Engineering
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• v.11 no.2
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• pp.197-209
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• 2016

Clayey rock has large clay mineral content. When in contact with water, this expands considerably and may present a significant hazard to the stability of the rock in geotechnical engineering applications. This is particularly important in the present work, which focused on mitigating some unwelcomed properties of clayey rock. Changes in its physical properties were simulated by subjecting the rock to a low voltage direct current (DC) using copper, steel and aluminum electrodes. The modified mechanism of the coupled electrical and chemical fields acting on the clayey rock was analyzed. It was concluded that the essence of clayey rock electrochemical modification is the electrokinetic effect of the DC field, together with the coupled hydraulic and electrical potential gradients in fine-grained clayey rock, including ion migration, electrophoresis and electro-osmosis. The aluminum cathodes were corroded and generated gibbsite at the anode; the steel and copper cathodes showed no obvious change. The electrical resistivity and uniaxial compressive strength (UCS) of the modified specimens from the anode, intermediate and cathode zones tended to decrease. Samples taken from these zones showed a positive correlation between electric resistivity and UCS.

• Proceedings of the KSME Conference
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• 2003.04a
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• pp.1100-1103
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• 2003

One of the good ways to raise the rate of the electrochemical reaction is to broaden the effective surface area of the electrode by developing cylindrical nano-pores on the surfaces. The numerous pores of several nanometer in diameter can be used to enhance a specific faradaic reaction so that the nano-porous structure attract keen attention in terms of implication of new bio/chemical sensors, in which no chemical modification is involved. Amperometric glucose sensor is a representative example that needs the selective enhancement of glucose oxidation over the current due to physiological interferents such as ascorbic acid. The present paper reports how the ascorbic acid and glucose diffuse around the nano-porous surface by simulation study, for which 2D-FDM (Finite Difference Method) was adopted. The results of the simulation not only consist with those from electrochemical experiments but also reveal valuable potential for more advanced application of the nano-porous electrode.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.32 no.5
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• pp.359-366
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• 2008

A two-dimensional thermal model of proton exchange membrane fuel cell with large active area is developed to investigate the performance of fuel cell with large active area over various thermal management conditions. The core sub-models of the two-dimensional thermal model are one-dimensional agglomerate structure electrochemical reaction model, one-dimensional water transport model, and a two-dimensional heat transfer model. Prior to carrying out the simulation, this study is contributed to set up the operating temperature of the fuel cell with large active area which is a maximum temperature inside the fuel cell considering durability of membrane electrolyte. The simulation results show that the operating temperature of the fuel cell and temperature distribution inside the fuel cell can affect significantly the total net power at extreme conditions. Results also show that the parasitic losses of balance of plant component should be precisely controlled to produce the maximum system power with minimum parasitic loss of thermal management system.

• Journal of Electrochemical Science and Technology
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• v.13 no.1
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• pp.63-70
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• 2022

Compared with hydrogen, ammonia has the advantages of high gravimetric hydrogen densities (17.8 wt.%), ease of storage and transportation as a chemical hydrogen storage medium, while its application in small-scale on-site hydrogen production scenarios is limited by the need for complex separation equipment during high purity hydrogen production. Therefore, the study of PEMFC, which can directly utilize ammonia decomposition gas, can greatly expand the application of fuel cells. In this paper, the output characteristics, fuel efficiency and the variation trend of hydrogen concentration and local current density in the anode channel of fuel cell with the output voltage of PEMFC fueled by ammonia decomposition gas were studied by experiment and simulation. The results indicate that the maximum output power of the hybrid fuel decreases by 9.6% compared with that of the pure hydrogen fuel at the same inlet hydrogen equivalent. When the molar concentration of hydrogen in the anode channel is less than 0.12, the output characteristics of PEMFC will be seriously affected. Employing ammonia decomposition gas as fuel, the efficiency corresponding to the maximum output power of PEMFC is approximately 47%, which is 10% lower than the maximum efficiency of pure hydrogen.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.12 no.3
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• pp.245-251
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• 2014

Pyroprocess for treating spent nuclear fuels has been developed based on electrochemical principles. Process simulation is one of the important methods for process development and experimental data analysis and it is also a necessary approach for pyroprocessing. To date, process simulation of pyroprocessing has been focused on electrorefining and there have been not so many investigations on electrolytic reduction. Electrolytic reduction, unlike electrorefining, includes specific features of gas evolution and porous electrode and, thus, different equations should be considered for developing a model for the process. This study summarized required concepts and equations for electrolytic reduction model development from thermodynamic, mass transport, and reaction kinetics theories which are necessitated for analyzing an electrochemical cell. An electrolytic reduction cell was divided and equations for each section were listed and, then, boundary conditions for connecting the sections were indicated. It is expected that those equations would be used as a basis to develop a simulation model for the future and applied to determine parameters associated with experimental data.

• Journal of the Korean Electrochemical Society
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• v.5 no.2
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• pp.79-85
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• 2002

The present article is concerned with the application of the Monte Carlo simulation to electrochemistry of lithium intercalation from the thermodynamic view point. This article first introduced the fundamental concepts of the ensembles, and Ising and lattice gas models in statistical thermodynamics for the Monte Carlo simulation in brief. Finally the Monte Carlo method based upon the lattice gas model was employed to analyse thermodynamics of the lithium intercalation into the transition metal oxides. Especially we dealt with the thermodynamic properties as the electrode potential curve and the partial molar internal energy and entropy of lithium ion in the case of the $LiMn_2O_4$ electrode, and consequently confirmed the utility of the Monte Carlo method in the field of electrochemistry of the lithium intercalation.