• Corrosion Science and Technology
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• 제11권6호
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• pp.275-279
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• 2012

Ni-W alloy deposits have lately attracted the interest as an alternative surface treatment method for hard chromium electrodeposits because of higher wear resistance, hardness at high temperature, and corrosion resistance. This study deals with influences of process variables, such as electodeposition current density, plating temperature and pH, on the internal stress of Ni-W nanocrystalline deposits. The internal stress was increased with increasing the applied current density. With increasing applied current density, the grain size of the deposit decreases and concentration of hydrogen in the deposit increases. The subsequent release of the hydrogen results in shrinkage of the deposit and the introduction of tensile stress in the deposit. Consequently, for layers deposited at high current density, cracking occurs readily owing to high tensile stress value. By increasing the temperature of the electrodeposition from $60^{\circ}C$ to $80^{\circ}C$, the internal stress was decreased. It seems that an increase in the number of active ions overcoming the activation energy at elevated temperature caused a decline in the concentration polarization and surface diffusion. It decreased the level of hydrogen absorption due to the lessened hydrogen evolution reaction. Therefore, the lower level of hydrogen absorption degenerated the hydride on the surface of the electrode, resulting in the reduction of the internal stress of the deposits. By increasing the pH of the electrodeposition from 5.6 to 6.8, the internal stress in the deposits were slightly decreased. It is considered that the decrease in internal stess of deposits was due to supply of W complex compound in cathode surface, and hydrogen ion resulted from decrease of activity.

• 대한화학회지
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• 제32권3호
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• pp.249-259
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• 1988

Methanol, ethanol, acetone, dimethylsulfoxide, N,N-dimethylformamide, tetrahydrofuran, dioxane, 및 acetonitrile의 8가지 분자에 대한 용매효과를 고찰할 목적으로 메탄올을 양성자로 하고, 8가지 분자를 양성자 받게로 하여, 이들 이합체를 AM1 Hamiltonian법과 supermolecule법에 의해 monomer 및 dimer의 optimized geometry, electron density, molecular energy 및 hydrogen-bonding energy를 계산하였다. 그 결과로 각 dimer의 hydrogen-bonding에 기여하는 stabilization energy 순서는 dimethylsulfoxide > ethanol > N,N-dimethylformamide > acetone > methanol > tatrahydrofuran > dioxane > acetonitrile임을 알았으며 이 안정성의 순서를 electron density의 변화 및 energy partition의 결과로 설명하였다.

• 한국수소및신에너지학회논문집
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• 제21권4호
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• pp.321-327
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• 2010

Current rechargeable battery cannot provide high energy density and the operational durations required. But linear engine/generators provide high energy density for portable power applications because fuel is more high density. In this paper, we suggest that basic design of powerpack using linear engine for assisting power output. Efficiency is relatively high because linear engine don't have crank mechanism compared with rotary engine. We made prototype engine and had experiments to know moving characteristic about the Linear Engine. It was possible to operate velocity at 50 Hz at the firing and pressure in cylinder was 16bar.

• 대한화학회지
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• 제59권5호
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• pp.429-433
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• 2015

The binding ability and hydrogen storage capacity of nitrogen doped carbon nanotube with divacancy (4NDCN_xNT) that is decorated with transition metals was investigated based on density functional theory calculations. Results indicate that scandium shows an ideal reversible hydrogen binding capability with promising system-weight efficiency compared with other transition metals when functionalized with 4ND-CN_xNT. The (Sc/4ND)₁₀-CN_xNT can store up to 50H₂ molecules, corresponding to a maximum gravimetric density of 5.8 wt%. Detailed structural stability and electronic properties were reported as hydrogen molecules were absorbed. It takes about 0.16 eV/H₂ to add one H₂ molecule, which assures reversible storage of H₂ molecules under ambient conditions.

• 한국표면공학회:학술대회논문집
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• 한국표면공학회 2017년도 춘계학술대회 논문집
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• pp.87.1-87.1
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• 2017

High functional catalyst to efficiently produce clean and earth-abundant renewable fuels plays a key role in securing energy sustainability and environmental protection of our society. Hydrogen has been considered as one of the most promising energy carrier as represented by focused research works on developing catalysts for the hydrogen evolution reaction (HER) from the water hydrolysis over the last several decades. So far, however, the major catalysts are expensive transition metals. Here using first principles density functional theory (DFT) calculations we screen various pyrites for HER by identifying fundamental descriptor governing the catalytic activity. We enable to capture a strong linearity between experimentally measured exchange current density in HER and calculated adsorption energy of hydrogen atom in the pyrites. The correlation implies that there is an underlying design principle tuning the catalytic activity of HER.

• 한국산업융합학회 논문집
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• 제26권6_3호
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• pp.1289-1295
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• 2023

Polyurethane foam insulation required for storing and transporting cryogenic liquefied gas is already widely used as a thermal insulation material for commercial LNG carriers and onshore due to its stable price and high insulation performance. These polyurethane foams are reported to have different mechanical performance depending on the density, and the density parameter is determined depending on the amount of the blowing agent. In this study, density-dependent polyurethane foam was fabricated by adjusting the amount of blowing agent. The mechanical properties of polyurethane foam were analyzed in the room temperature and cryogenic temperature range of -163℃ at 1.5 mm/min, which is a quasi-static load range, and the cells were observed through microstructure analysis. The characteristics of linear elasticity, plateau, and densification, which are quasi-static mechanical behaviors of polyurethane foam, were shown, and the correlation between density and mechanical properties in a cryogenic environment was confirmed. The correlation between mechanical behavior and cell size was also analyzed through SEM morphology analysis. Polyurethane foam with a density of 180 kg/m³ had a density about twice as high as that of a polyurethane foam with a density of 96 kg/m³, but yield strength was about 51% higher and cell size was about 9.5% smaller.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2005년도 제17회 워크샵 및 추계학술대회
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• pp.634-637
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• 2005

Hydrogen adsorption mechanism onto the porous metal-organic frameworks (MOFs) has been studied by density functional theory calculation. The selected functionals for the predict ion of interact ion energies between hydrogen and potential adsorption sites of MOF was utilized after the evaluation with the various functionals for interaction energy of $H_2C_6H_6$ model system the adsorption energy of hydrogen molecule into MOF was investigated with the consideration of the favorable adsorption sites and the orientations. We also calculated the second favorable adsorption sites by geometry optimization using every combination of two first absorbed hydrogen molecules. Based on the calculation of first and second adsorption sites and energies, the hydrogen adsorption into MOF follows a cooperative mechanism in which the initial metal sites initiate the propagation of the hydrogen adsorption on the whole frameworks. In addition, it was found that the interaction strength between the simple benzene ring with hydrogen is significantly reinforced when the benzene ring has been incorporated into the framework of MOFs.

• 한국수소및신에너지학회논문집
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• 제34권2호
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• pp.169-177
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• 2023

Phase stability diagrams were constructed for magnesium alanate (Mg(AlH₄)₂) nanoparticles to investigate the reversible hydrogen storage reaction by using density functional theory. Our findings indicate that bulk Mg(AlH₄)₂ shows favorable hydrogen release, but unfavorable hydrogen uptake (adsorption) reactions. However, for Mg(AlH₄)₂ nanoparticles, it was observed that hydrogen release and recharge can be achieved by controlling the particle size and temperature. Furthermore, by predicting the decomposition phase diagram of Mg(AlH₄)₂ nanoparticles with varying hydrogen partial pressure, it was discovered that reversible dehydrogenation reactions can occur even in relatively large nanoparticles by controlling the hydrogen partial pressure.

• Bulletin of the Korean Chemical Society
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• 제35권1호
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• pp.253-256
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• 2014

Functionalization of zigzag graphene nanoribbon (ZGNR) segment containing 120 C atoms with pyridine (3NV-ZGNR) defects was investigated on the basis of density-functional theory (DFT) calculations, results show that edge-modified ZGNRs by Sc can adsorb multiple hydrogen molecules in a quasi-molecular fashion, thereby can be a potential candidate for hydrogen storage. The stability of Sc functionalization is dictated by a strong binding energy, suggesting a reduction of clustering of metal atoms over the metal-decorated ZGNR.

• 수산해양교육연구
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• 제18권1호
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• pp.58-64
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• 2006

In order to examine the effect of humidity on hydrogen embrittlement of STS 444 weld zone for boiler with dry and wet welding conditions, this paper was carried out the accelerated hydrogen osmosis test and the electrochemical Tafel polarization test. In 0.5M $H_2SO_4$ + 0.01M $As_20_3$ solution, this test is added to load of $1400kg/cm^2$ together with hydrogen osmosis by current of $50 {mA/cm^2}$ for 60 min.. The electrochemical Tafel polarization test was carried out in 0.5M $H_2SO_4$ + 0.01M $As_20_3$ solution. Therefore, the effect of humidity on hydrogen embrittlement of STS 444 was considered. The main results are as following: On the basis of hydrogen embrittlement mechanism, that is, integrated electrochemical polarization characteristics with the established mechanism of hydrogen embrittlement, the reduction rate of corrosion current density of weld zone in the wet weld condition is larger than in the dry condition. We can nondestructively predict the degree of hydrogen embrittlement of STS 444 weld zone for boiler through the reduction rate of electrochemical corrosion current density.