• 한국전산유체공학회:학술대회논문집
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• 2008.03a
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• pp.208-214
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• 2008

The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids (the Lennard-Jones fluid, water and aqueous sodium-chloride solution) confined between two plates that are separated by 1.086 nm; included in the equilibrium properties are the density distribution and the static structure, and the diffusivity in the dynamic property. Three kinds of fluids considered in this study are. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

• 한국전산유체공학회:학술대회논문집
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• 2008.10a
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• pp.208-214
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• 2008

The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids (the Lennard-Jones fluid, water and aqueous sodium-chloride solution) confined between two plates that are separated by 1.086 nm; included in the equilibrium properties are the density distribution and the static structure, and the diffusivity in the dynamic property. Three kinds of fluids considered in this study are. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

• Journal of computational fluids engineering
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• v.14 no.1
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• pp.24-34
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• 2009

The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids confined between two plates that are separated by 1.086 nm; included in the statical properties are the density distribution and the static structure, and the autocorrelation velocity function in the dynamic property. Three kinds of fluids considered in this study are the Lennard-Jones fluid, water and aqueous sodium-chloride solution. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

• Proceedings of the KIEE Conference
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• 2005.07c
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• pp.2022-2024
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• 2005

Electrical double-layer capacitor (EDLC) is an electrochemical energy storage device in which electric charges only accumulated by a pure electrostatic attraction force are stored on the electrolyte-electrode interface in a form of double layer and separated by the electrolyte. The composite was prepared by mixing nanosize $TiO_2$ and activated carbon through a means of ultrasonic vibration in ethanol solution for 30 min in various mass ratios of $AC:TiO_2$ to form activated carbone-semiconducting oxide composites. Either 1.0 M $LiClO_4/EC-DEC$ or $Et_4NBF_4$/EC-DEC was used as the electrolyte. It was found that with modification of $TiO_2$, the specific capacitance of activated carbon measured at $1mA/cm^2$ was increased from 40 to 50 F/g. This method is unique in comparison the conventional method because it uses semiconducting TiO2 other than electrochemically active materials such as $RuO_2$. The increase in specific capacitance could be attributed to the decrease in electric polarization, caused by the introduction of $RuO_2$.

• Journal of the Korean institute of surface engineering
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• v.54 no.6
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• pp.315-323
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• 2021

In general, surface treatments of electroless Ni-P coating are extensively applied in the industry due to their excellent properties for considerable wear resistance, hardness, corrosion resistance. This study aims to determine the effect of ultrasonic conditions on the morphology, alumina content, roughness, hardness, and corrosion resistance of electroless Ni-P-Al₂O₃ composite coatings. The characteristics were analyzed by Energy-dispersive X-ray spectroscopy (EDX), x-ray diffractions (XRD), and atomic force microscopy (AFM), etc. In this study, the effect of ultrasonic condition uniformly distributed alumina within Ni-P solution resulting in a smoother surface, lower surface roughness. Furthermore, the corrosion resistance behavior of the coating was analyzed using tafel polarization curves in a 3.5 wt.% NaCl solution at 25 ℃. Under ultrasonic, Al₂O₃ content in Ni-P composite solution increased from 0.5 to 5.0 g/L, Al₂O₃ content at 3.0 g/L was showed a significantly enhanced corrosion resistance. These results suggested that ultrasonic condition was an effective method to improve the properties of the composite coating.

• Journal of Electrochemical Science and Technology
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• v.9 no.4
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• pp.260-275
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• 2018

The corrosion inhibition of cast iron in 1 M HCl by Phenanthroline (Phen) was investigated using potentiodynamic polarization (PDP) curves, electrochemical impedance spectroscopy (EIS), surface analysis and theoretical calculations. It is found that Phen exhibits high inhibition activity towards the corrosive action of HCl and its adsorption obeys the Langmuir adsorption isotherm model. The results showed that inhibition efficiency increases with Phen concentration up to a maximum value of 96% at 1.4 mM, and decreases slightly with the increase in temperature. The free adsorption energy value indicates that Phen adsorbs on cast iron surface in 1 M HCl via a simultaneous physisorption and chemisorption mechanism. Scanning electron microscopy (SEM) micrographs, atomic force microscopy (AFM) and FTIR analysis confirmed the formation of a protective film on cast iron surface, resulting in the improvement of its corrosion resistance in the studied aggressive solution. Quantum chemical calculations at the DFT level were achieved to correlate electronic structure parameters of Phen molecules with their adsorption mode.

• Korean Journal of Metals and Materials
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• v.47 no.10
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• pp.644-651
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• 2009

The passivation (or deactivation) of a metal surface during oxide film formation has been quantitatively explored for a ferritic stainless steel by using dynamic electrochemical impedance spectroscopy (DEIS). For this purpose, the electrochemical impedance spectra were carefully examined as a function of applied potential in the active nose region of the potentiodynamic polarization curve, to separate the charge transfer resistance and oxide film resistance. From the discrepancy in the potential dependence between the experimental charge transfer resistance and the semi-empirically expected one, the degree of passivation could be quantitatively estimated. The sensitivity of passivation of the steel surface to anodic potential, which might be the measure of the quality of the oxide film formed under unit driving force or over-potential, decreased by 31% when 3.5 wt% NaCl was added to a 5 wt% $H_2SO_4$ solution.

• Corrosion Science and Technology
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• v.20 no.6
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• pp.347-360
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• 2021

Currently, the demand for eco-friendly energy sources is high, which has prompted research on polymer electrolyte membrane fuel cells. Both aluminum alloys and nickel alloys, which are commonly considered as materials of bipolar plates in fuel cells, oxide layers formed on the metal surface have excellent corrosion resistance. In this research, the electrochemical characteristics of 6061-T6 aluminum alloy and Inconel 600 were investigated with chloride concentrations in an acid environment that simulated the cathode condition of the PEMFC. After potentiodynamic polarization experiments, Tafel analysis and surface analysis were performed. Inconel 600 presented remarkably good corrosion resistance under all test conditions. The corrosion current density of 6061-T6 aluminum alloy was significantly higher than that of Inconel 600 under all test conditions. Also, 6061-T6 aluminum alloy and Inconel 600 presented uniform corrosion and intergranular corrosion, respectively. The Ni, Cr, and Fe, which are the main chemical compositions of Inconel 600, are higher than Al in the electromotive force series. And a double oxide film of NiO-Cr₂O₃, which is more stable than Al₂O₃, is formed. Thus, the corrosion resistance of Inconel 600 is better.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2022.04a
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• pp.101-102
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• 2022

A new hydrazone derivatives namely (E)-N'-(4-(dimethylamino)benzylidene)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetohydrazide (HIND) has been confirmed for mitigating the corrosion of the steel rebar exposed to chloride contaminated synthetic concrete pore solution (ClSCPS). The mitigation of corrosion properties has been characterized by weight loss and electrochemical methods (Electrochemical impedance, Potentiodynamic polarization studies) as well as surface observations. The presence of HIND in the ClSCPS decreased the corrosion of steel rebar by adsorption of HIND molecules on the surface of the steel rebar. The optimal HIND concentration was 0.5 mmol/L, corresponding to an inhibition efficiency of 88.4%. The use of HIND enables the corrosion process to have a higher energy barrier. X-ray photo electron spectroscopy (XPS), atomic force microscopy (AFM), scanning electron microscopy-energy-dispersive spectroscopy (SEM-EDS), and X-ray diffraction (XRD) spectroscopy interpretations confirmed that HIND mitigates the corrosion attack on the surface steel rebar.

• Korean Chemical Engineering Research
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• v.62 no.3
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• pp.269-273
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• 2024

The normal stress of TiO₂ ER fluid under an electric field showed negative values due to the electrostatic attraction force in the normal direction between particles and the absolute value increased dramatically with electric field strengths. The normal yield stress exhibited E² dependence similar to the dynamic yield stress, indicating that normal stress can be utilized for evaluating the ER effect. Numerical simulation demonstrated good qualitative agreement with the experimental data and suggested that the decrease in the absolute value of normal stress with increasing shear rates was attributed to the rearrangement of particle configurations under shear.