• Bulletin of the Korean Chemical Society
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• 제27권8호
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• pp.1154-1158
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• 2006

Anomalously high ionic mobilities of H+ and $OH^-$ are owing to the transfer of $H^+$ by the Grotthus chain mechanism. Molecular dynamics simulations for the system of 215 water including $OH^-$ ion at 298.15 K using the OSS2 model [J. Chem. Phys. 109, 5547 (1998)] as a dissociable water model with the use of Ewald summation were carried out in order to study the dynamics of $OH^-$ in water. The calculated ionic mobility of $OH^-$ is in good agreement with the experimental result and the Grotthus chain mechanism is fully understood.

• Bulletin of the Korean Chemical Society
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• 제9권6호
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• pp.368-376
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• 1988

Transition metal PSSA ionomers containing Co(II), Ni(II), Cr(III), Ru(III), and Rh(III) are investigated by IR, Far-IR, UV-Vis and DSC. Reliable IR Spectroscopic criteria are established for assessing the degree of ion-exchange of PSSA ionomers and the local structures around metal cations in them. In the hydrated transition metal PSSA ionomers, the ionic groups are solvated by water molecules and there is no significant interactions between sulfonate group and metal cations. The visible spectra indicated that metal cations are present as [M$(H_2O)_6$]$^{n+}$ with Oh symmetry. Their $T_g$ values increase as the extent of ionic site concentration increases, but there is no direct dependence of $T_g$ on the nature of metal cations or their oxidation states. Thus, the water content in PSSA ionomer is found to have dominant influence on $T_g$ of hydrated transition metal PSSA ionomers. Dehydration of the hydrated transition metal PSSA ionomers results in direct interaction between ionic groups and significant color changes of the ionomers due to the changes of the local structures around metal cations. On the base of spectral data, their local structures are discussed. In case of dehydrated 12.8 and 15.8 mol % transition metal PSSA ionomers, no glass transition is observed in 25-$250^{\circ}C$ region and this is believed to arise from the formation of highly crosslinked structures caused by direct coordination of sulfonate groups of metal cations. In the 6.9 mol % transition metal PSSA ionomers, the glass transition is always observed whether they are hydrated or dehydrated and this is though to be caused by the sufficient segmental mobility of the polymer backbone.

• 상하수도학회지
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• 제32권6호
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• pp.499-505
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• 2018

We applied column experiments to investigate the environmental fate and transport of silver nanoparticles(AgNPs) in fully saturated conditions of porous media. These column experiments were performed to emphasize oxidation method with $H_2O_2$ concentration and acidic conditions. The mobility of AgNPs was decreased with the increasing ionic strength that the surface charge of AgNPs(zeta potential) was neutralized with the presence of positive ions of $Na^+$. Additionally, it was also affected due to that not only more increased aggregated size of AgNPs and surface charge of quartz sand. The decreased breakthrough curves(BTCs) of bisphenol-A(BPA) and $17{\alpha}$-ethynylestradiol(EE2) were removed approximately 35.3 and 40%. This is due to that endocrine disrupting chemicals(EDCs) were removed with the release of $OH{\cdot}$ radicals by the fenton-like mechanisms from acidic and fenton-like reagent presenting. This results considered that higher input AgNPs with acidic conditions is proved to realistic in-situ oxidation method. Overall, it should be emphasized that a set of column experiments employed with adjusting pH and $H_2O_2$ concentration in proved to be effective method having potential ability of in-situ degradation for removing organic contaminants such as BPA and EE2.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.37-37
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• 2010

Silicate-silsesquioxane or siloxane-silsesquioxane hybrid thin films are strong candidates as matrix materials for ultra low dielectric constant (low-k) thin films. We synthesized the silicate-silsesquioxane hybrid resins from tetraethoxyorthosilicate (TEOS) and methyltrimethoxysilane (MTMS) through hydrolysis and condensation polymerization by changing their molar ratios ([TEOS]:[MTMS] = 7:3, 5:5, and 3:7), spin-coating on Si(100) wafers. In the case of [TEOS]:[MTMS] 7:3, the dielectric permittivity value of the resultant thin film was measured at 4.30, exceeding that of the thermal oxide (3.9). This high value was thought to be due to Si-OH groups inside the film and more extensive studies were performed in terms of electronic, ionic, and orientational polarizations using Debye equation. The relationship between the mechanical properties and the synthetic conditions of the silicate-silsesquioxane precursors was also investigated. The synthetic conditions of the low-k films have to be chosen to meet both the low orientational polarization and high mechanical properties requirements. In addition, we have investigated a new solution-based approach to the synthesis of semiconducting chalcogenide films for use in thin-film transistor (TFT) devices, in an attempt to develop a simple and robust solution process for the synthesis of inorganic semiconductors. Our material design strategy is to use a sol-gel reaction to carry out the deposition of a spin-coated CdS film, which can then be converted to a xerogel material. These devices were found to exhibit n-channel TFT characteristics with an excellent field-effect mobility (a saturation mobility of ${\sim}\;48\;cm^2V^{-1}s^{-1}$) and low voltage operation (< 5 V). These results show that these semiconducting thin film materials can be used in low-cost and high-performance printable electronics.

• Corrosion Science and Technology
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• 제9권1호
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• pp.20-28
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• 2010

According to the bipolar model, ion selectivity of some species in the passive film is important factor to control the passivation. An increase of cation selectivity of outer layer of the passive film can stabilize the film and improves the corrosion resistance. Therefore, the formation and roles of ionic species in the passive film should be elucidated. In this work, two types of solution (hydrochloric or sulfuric acid) were used to test high N and Mo-bearing stainless steels. The objective of this work was to investigate the formation of oxyanions in the passive film and the roles of oxyanions in passivation of stainless steel. Nitrogen exists as atomic nitrogen, nitric oxide, nitro-oxyanions (${NO_x}^-$), and N-H species, not nitride in the passive film. Because of its high mobility, the enriched atomic nitrogen can act as a reservoir. The formation of N-H species buffers the film pH and facilitates the formation of oxyanions in the film. ${NO_x}^-$ species improve the cation selectivity of the film, increasing the oxide content and film density. ${NO_x}^-$ acts similar to a strong inhibitor both in the passive film and at active sites. This facilitates the formation of chromium oxide. Also, ${NO_x}^-$ can make more molybdate and nitric oxide by reacting with Mo. The role of Mo addition on the passivation characteristics of stainless steel may differ with the test environment. Mo exists as metallic molybdenum, molybdenum oxide, and molybdate and the latter facilitates the oxide formation. When nitrogen and molybdenum coexist in stainless steel, corrosion resistance in chloride solutions is drastically increased. This synergistic effect of N and Mo in a chloride solution is mainly due to the formation of nitro-oxyanions and molybdate ion. Oxyanions can be formed by a 'solid state reaction' in the passive film, resulting in the formation of more molybdate and nitric oxide. These oxyanions improve the cation selectivity of the outer layer and form more oxide and increase the amount of chromium oxide and the ratio of $Cr_2O_3/Cr(OH)_3$ and make the film stable and dense.

• 자원환경지질
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• 제56권6호
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• pp.847-870
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• 2023

고준위 방사성폐기물을 심지층에 안전하게 처분하기 위해서는 방사성 핵종의 장기적 지구화학 거동에 대한 정확한 예측이 요구된다. 이와 관련하여 본 연구에서는 국내 심부 지하수를 대표하는 다섯가지 지화학 환경 조건에서 지화학 모델링을 수행하여 일부 방사성 핵종의 지화학 거동을 예측하였다. 다섯가지 국내 심부 지하수의 지화학 환경은 다음과 같다: 고 TDS 염지하수(G1), 산성 pH의 CO₂가 풍부한 지하수(G2), 고 pH 알칼리성 지하수(G3), 황산염이 풍부한 지하수(G4), 묽은(담수) 지하수(G5). 3~12의 pH 범위와 ±0.2V의 산화-환원전위(Eh) 조건에서 일부 방사성 핵종(우라늄, 플루토늄, 팔라듐)의 국내 심부 지하수 내에서의 용해도와 화학종(존재형태)을 예측하였다. 모델링 결과, 용존 상태의 우라늄은 주로 U(IV)로서 중성~알칼리성의 넓은 pH 환경에서 높은 용해도를 보였으며, Eh가 -0.2V인 환원 환경에서도 알칼리 pH 조건에서 높은 용해도를 보였다. 이러한 높은 용해도는 주로 Ca-U-CO₃ 착물의 형성에 의한 것으로 예측되는데, 이 착물의 활동도(activity)는 국내 심부 지하수 중 주요 단층대를 따라 산출되는 G2와 화강암반에 위치하는 G3에서 높다. 한편, 플루토늄(Pu)의 용해도는 pH에 따라 달라지며, 특히 중성~알칼리성 조건에서 가장 낮은 용해도가 나타난다. 주요 화학종은 Pu(IV)와 Pu(III)이며, 이들은 주로 흡착을 통해 제거될 것으로 추정된다. 그러나 콜로이드에 의한 이동을 고려하면, 이온강도가 낮은 심부 지하수인 G3와 G5 유형에서 콜로이드 형성 및 이동 촉진에 따라 이동성이 증가할 것으로 예상된다. 팔라듐(Pd)은 환원 환경에서는 황화물 침전 반응으로 인해 낮은 용해도를 나타내며, 산화 환경에서는 주로 금속(수)산화물에의 흡착을 통해 Pd(OH)₃^-, PdCl₃(OH)₂^-, PdCl₄^2- 및 Pd(CO₃)₂^2-와 같은 음이온 착물이 제거될 것으로 판단된다. 본 연구는 한국의 심부 지하수 환경에서 방사성 핵종의 운명과 이동에 대한 이해를 높이고, 고준위 방사성 폐기물의 안전한 처분을 위한 전략 개발에 기여할 것으로 기대된다.