• Bulletin of the Korean Chemical Society
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• 제20권3호
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• pp.345-351
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• 1999

The structures, the energetics, and the spectra of K+(H2O)3 have been studied at HF and MP2 levels with the basis set of triple-zeta plus two sets of polarization functions (TZ2P) for water molecules. Two structures considered are 3+0 (D3), and 2+1 (C2v). The 2+1 (C2v) has two hydrogen bonds between the primary hydration and the secondary hydration shell water molecules. They have similar binding energy and enthalpy. The most stable conformation of K+(H2O)3 is entropy driven as shown in Na+(H2O)5 and in Na+(H2O)6 cases. The 3+0 (D3) conformation is the most stable at 298 K and at 1 atm, based on Gibbs free energy changes (ΔGr). The thermal contributions to the enthalpy and the Gibbs free energy are corrected for the low frequency modes. The corrected ΔGr is in good agreement with the experimental value. Vibrational frequencies of two conformations are revealed as their characteristics.

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 2005년도 총회 및 춘계학술발표회
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• pp.249-252
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• 2005

저주파수에서 유전상수 측정시 100kHz 이하의 주파수 영역에서는 전극분극효과가 발생하므로 100kHz이상의 주파수에서 유전상수가 평가되어야 한다. 유전상수는 쌍극자모멘트의 수에 비례하기 때문에 흙의 유전상수는 체적함수비에 따른 선형적인 증가경향을 나타내었다. 용액에 이온성분이 존재하는 경우에는 수화작용에 의한 물분자의 배향분극 발현의 감소로 인하여 유전상수가 감소한다. 흙과 중금속 혼합시료의 경우 함수비가 큰 시료에서는 용액의 유전특성이 발현되지만, 함수비가 작은 경우에는 공간전하분극의 영향으로 유전상수가 10-20%정도 증가하는 경향을 나타내었다. 현장에서의 정확한 오염도 평가를 위해서는 토양의 함수비에 대한 평가가 반드시 수행되어야 한다.

• 한국표면공학회:학술대회논문집
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• 한국표면공학회 2017년도 춘계학술대회 논문집
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• pp.126-126
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• 2017

Using first principles calculations we unveil fundamental mechanism of hydrolysis reactions of two hazardous chemicals $PCl_3$ and $POCl_3$ with molecular water clusters nearby. It is found that the water molecules play a key role as a catalyst significantly lowing the activation barriers by transferring its protons to the reaction intermediates. Interestingly, torsional angles of molecular complexes at transition states are identified as a vital descriptor on the reaction rate. Analysis of charge distribution over the complexes further reinforces the finding with atomic level correlation between the torsional angle and variation of the orbital hybridization state of P in the complex. Electronic charge separation (or polarization) enhances thermodynamic stability of the activated complex at transition state and reduces the activation energy through hydrogen bonding network with water molecules nearby. Calculated potential energy surfaces (PES) for the hydrolysis reactions of $PCl_3$ and $POCl_3$ depict their two contrastingly different profiles of double- and triple-deep wells, respectively. It is ascribed to the unique double-bonding O=P in the $POCl_3$. Our results on the activation free energy show well agreements with previous experimental data within $7kcalmol^{-1}$ deviation.

• Journal of Electrochemical Science and Technology
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• 제7권1호
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• pp.76-81
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• 2016

An anatase TiO₂ nanotube array (NTA) was fabricated by anodization and successive heat treatments. When the anatase TiO₂ NTA was cathodically polarized, its color changed to blue, and it could be used as an electrochemically active anode for an oxygen evolution reaction (OER) in alkaline water electrolysis. The structure of the blue anatase TiO₂ NTA was controlled by the anodization conditions and its catalytic activity increased with an increase of the surface area. The activity of the blue anatase TiO₂ NTA gradually reduced with the continued OER because of the partial oxidation of Ti³⁺ to Ti⁴⁺. However, an intermittent cathodic regeneration process could significantly slow its reduction rate. The blue anatase TiO₂ NTA could be an alternative anode for alkaline water electrolysis.

• Corrosion Science and Technology
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• 제19권2호
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• pp.89-99
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• 2020

The inhibition of pitting corrosion failure of copper sprinkler tubes in wet sprinkler systems was studied. First, an apparatus and technology for removing air in the sprinkler tubes by vacuum pumping and then filling the tubes with water were developed. Using this apparatus and technology, three methods for inhibiting the pitting corrosion of the copper sprinkler tubes installed in several apartment complexes were tested. The first one was filling the sprinkler tubes with water bubbled by high-pressure nitrogen gas to reduce the dissolved oxygen concentration to lower than 2 ppm. In the second method, the dissolved oxygen concentration of water was further reduced to lower than 0.01 ppm by sodium sulfite. In the third method, the sprinkler tubes were filled with benzotriazole (BTAH) dissolved in water. The third method was the most effective, reducing the failure frequency of the sprinkler tubes due to pitting corrosion by more than 80%. X-ray photoelectron spectroscopy analyses confirmed that a Cu-BTA layer was well coated on the inside surface of the corrosion pit, protecting it from corrosion. A potentiodynamic polarization test showed that BTAH should be very effective in reducing the corrosion rate of copper in the acidic environment of the corrosion pit.

• 한국막학회:학술대회논문집
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• 한국막학회 1997년도 심포지움시리즈 Jan-97 수처리용 분리막 기술 및 응용
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• pp.87-109
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• 1997

Reverse osmosis(R/O), ultrafiltration(UF) and microfiltration (MF) processes are widely used for water treatment. In the seminar, characteristics of typical membrane modules including tubular, hollow fiber, plate and frame and spiral wound types will be discussed in detail. The design methods based on hydrodynamics for hollow fiber and spiral wound modules will be introduced analytically. Concentration polarization (CP) and membrane fouling mechnism as well as the techniques for CP reduction will be handled. The CP control techniques contain chemically modified membrane surface, pretreatment of feed water, operation of low trans-membrane pressure, chemical or physical cleaning methods and artificial production of various fluid turbulences near the membrane surface, etc. In especially, the recent commercial membrane modules for CP control including module rotation, vibration and Taylor or Dean vortex system will be introduced and discussed in detail.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2003년도 하계학술대회 논문집 Vol.4 No.2
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• pp.1119-1122
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• 2003

In this paper, the electric field distribution in dielectric tube with one layer and spherical dielectric in water was simulated. The reactor was made up of the spherical dielectric that is diameter 2.5[mm], ${\epsilon}_r$ : 5, 100, 1000, 5000 respectively and one glass plate being 2[mm] thickness, ${\epsilon}_r$ : 5 as electrode. The discharge gap was 7[mm]. As a result of the simulation, in case of being about the same value between the dielectric constant of spherical dielectric and water, when the reactor was applied to high voltage dielectric polarization characteristic was trending toward disappearance. To get more strong electric field, the dielectric constant should be higher comparatively, Increasing the spherical dielectric constant, the location of equippotential line was shifting from the interior to the exterior.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2003년도 하계학술대회 논문집 Vol.4 No.2
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• pp.1143-1146
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• 2003

This paper was simulated the electric field distribution in dielectric tube with two layers and spherical dielectric in water. The reactor was made up of the spherical dielectric that is diameter : 2.5[mm], ${\epsilon}_r$ : 5, 25, 100, 1000, 5000 respectively and two glass plate being 2[mm] thickness, ${\epsilon}_r$ : 5 as electrode. The discharge gap was 9[mm]. As a result of the simulation, in case of being about the same value between the dielectric constant of spherical dielectric and water, when the reactor was applied to high voltage, dielectric polarization characteristic was trending toward disappearance. To get more strong electric field, the dielectric constant should be higher comparatively, Increasing the spherical dielectric constant, the location of equippotential line was shifting from the interior to the exterior.

• 대한전기학회:학술대회논문집
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• 대한전기학회 2002년도 하계학술대회 논문집 C
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• pp.1810-1812
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• 2002

This test was performed to assess the insulation deterioration condition of the stator winding of Chung-Ju hydrogenerator #4 and Dae-Cheong hydrogenerator #2 which had been in service after being constructed 1980. The insulation diagnostic tests include resistance polarization index(P.I.) AC current, dissipation factor(Tan ${\delta}$) and partial discharges ($Q_{max}$). The results of diagnostic tests were compared to factory test measurements.

• 한국건축시공학회:학술대회논문집
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• 한국건축시공학회 2020년도 가을 학술논문 발표대회
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• pp.52-53
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• 2020

The thermal spray coating process is being used to protect the metals and alloys from wear, abrasion, fatigue, tribology, and corrosion failure. Therefore, in the present study, Al and Zn was deposited by plasma arc thermal spray process onto the steel substrate and their performance was assessed. The bond adhesion result shows that Al coating has higher value attributed to compact, dense, and less porous compared to Zn coating which contain defects/pores and uneven morphology assessed by scanning electron microscopy (SEM). Electrochemical results show that the Al coating exhibited higher impedance value compared to Zn in artificial ocean water solution at prolonged exposure periods. However, both coatings show the increment in polarization resistance with exposure periods which reveal that porosity of coatings is filled by the corrosion products.