• Journal of the Korean Electrochemical Society
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• v.5 no.2
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• pp.86-92
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• 2002

The present article is concerned with the application of the kinetic Monte Carlo simulation to electrochemistry of lithium intercalation from the kinetic view point. Basic concepts of the kinetic Monte Carlo method and the transition state theory were first introduced, and then the simulation procedures were explained to evaluate diffusion process. Finally the kinetic Monte Carlo method based upon the transition state theory was employed under the cell-impedance-controlled constraint to analyse the current transient and the linear sweep voltammogram for the $LiMn_2O_4$ electrode, one of the intercalation compounds. From the results, it was found that the kinetic Monte Carlo method is much relevant to investigate kinetics of the lithium intercalation in the field of electrochemistry.

• Journal of Electrochemical Science and Technology
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• v.7 no.4
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• pp.251-262
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• 2016

The corrosion protection of mild steel in 1M HCl and 0.5M $H_2SO_4$ solutions by ethanol extract of Vernonia amygdalina (VA) was studied using a combination of experimental and computational methods. The obtained results revealed that VA reduced the corrosion of mild steel in both environments and inhibition efficiency increased with VA concentration but decreased with prolonged exposure. Electrochemical results showed that the extract functioned via mixed corrosion inhibiting mechanism by adsorption of some organic constituents of the extract on the metal/acid interface. Findings from infrared spectroscopy and electron microscopy all confirmed that VA retarded mild steel corrosion in both 1M HCl and 0.5M $H_2SO_4$ through an adsorption process. The adsorption behavior of selected constituents of the extract was modeled using density functional theory computations.

• Journal of the Korean Electrochemical Society
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• v.17 no.2
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• pp.119-123
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• 2014

Here I report on how Fourier Transform Electrochemical Impedance Spectroscopy (FTEIS) overcomes the potential-current linearity problem encountered in the impedance calculation process. FTEIS was first invented to solve the time-related drawback of the conventional impedance technique. The dramatic time reduction of FTEIS enabled the real-time impedance measurement but brought about the linearity problem at the same time. While the conventional method circumvents the problem using the steady-state made by a sufficiently long measurement time, FTEIS cannot because of its real-time function. However, according to the mathematical development reported in this article, the potential step used in FTEIS is proved to avoid the linearity problem. During the step period, the potential and the current are linearized by the electrochemical impedance. Also, Fourier transform of the differentiated potential and current is proved to give the same result of the original ones.

• Resources Recycling
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• v.10 no.1
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• pp.42-48
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• 2001

The dissolution behavior of gold and silver from gold-silver alloys in aerated cyanide solutions has been investigated by an electrochemical means as well as a direct measurement of gold and silver ions reported in the bulk solution as a function of time using rotating disc electrodes. The variables studied included oxygen partial pressure, rotating speed of the disc, concentration of cyanide, temperature and composition of the allyos. The dissolution potential and the rate of dissolution were obtained in view of the anodic and cathodic current-potential relationships. The results were discussed in terms of the mixed potential theory. The results showed that the dissolution rate of gold and silver from the alloys was controlled partially by chemical reaction. but largely by transport of either oxygen or cyanide, depending on their relative concentration under the experimental conditions employed in this study.

• Journal of Electrochemical Science and Technology
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• v.6 no.4
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• pp.146-151
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• 2015

Here I report an electrochemical simulation work that compares voltammetric current and resistance of a complex electrochemical reaction over a potential scan. For this work, the finite element method is employed which are frequently used for voltammetry but rarely for impedance spectroscopy. Specifically, this method is used for simulation of a complex reaction where a heterogeneous faradaic reaction is followed by a homogeneous chemical reaction. By tracing the current and its polarization resistance, I learn that their relationship can be explained in terms of rate constants of charge transfer and chemical change. An unexpected observation is that even though the resistance is increased by the rate of the following chemical reaction, the current can be increased due to the potential shift of the resistance made by the proceeding faradaic reaction. This report envisions a possibility of the FEM-based resistance simulation to be applied to understand a complex electrochemical reaction. Until now, resistance simulations are mostly based on equivalent circuits or complete mathematical equations and have limitations to find proper models. However, this method is based on the first-principles, and is expected to be complementary to the other simulation methods.

• Journal of the Korean Electrochemical Society
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• v.4 no.3
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• pp.87-93
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• 2001

Pressure-balanced external Ag/AgCl electrode has been extensively used for both Pressurized Water Reactor (PWR) and Boiling Water Reactor (PWR) environments. The use of KCI-based buffer solution often becomes the source of electrode potential drift due to slow leakage through its porous plug, typically made of zirconia. It is reported that results of our effort to improve the stability of electrode potential by using high purity water as the filling solution in which $Cl^-$ ion activity can be established and maintained at the solubility of AgCl even with the sustained leakage for a long period. Stability tests have been made in boron and lithium mixture solution at $288^{\circ}C$. The electrode potential remained stable within 10 mV over one week period. And after a thermal cycle between 288 to $240^{\circ}C$ the potential shift of Ag/AgCl electrodes did not exceed 15 mV By using the limiting equivalent ionic conductances and Agar's hydrodynamic theory, the thermal liquid junction potential (TLJP) of the electrode has been predicted. The calculated values for the water-fiued Ag/AgCl electrode potential, in which the chlorine concentration in the filling solution was derived from the measured data at ambient temperature, had a good agreement with the experimental values.