• Journal of the Mineralogical Society of Korea
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• v.29 no.4
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• pp.209-220
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• 2016

Clay minerals are a major player to determine geochemical cycles of trace metals and carbon in the critical zone which covers the atmosphere down to groundwater aquifers. Molecular dynamics (MD) simulations can examine the Earth materials at an atomic level and, therefore, provide detailed fundamental-level insights related to physicochemical properties of clay minerals. In the current study, we have applied classical MD simulations with clayFF force field to dioctahedral clay minerals (i.e., gibbsite, kaolinite, and pyrophyllite) to analyze and compare structural parameters (lattice parameter, atomic pair distance) with experiments. We further calculated vibrational power spectra for the hydroxyls of the minerals by using the MD simulations results. The MD simulations predicted lattice parameters and interatomic distances respectively deviated less than 0.1~3.7% and 5% from the experimental results. The stretching vibrational wavenumber of the hydroxyl groups were calculated $200-300cm^{-1}$ higher than experiment. However, the trends in the frequencies among different surface hydroxyl groups of each mineral was consistent with experimental results. The angle formed by the surface hydroxyl group with the (001) plane and hydrogen bond distances of the surface hydroxyls were consistent with experimental result trends. The inner hydroxyls, however, showed results somewhat deviated from reported data in the literature. These results indicate that molecular dynamics simulations with clayFF can be a useful method in elucidating the roles of surface hydroxyl groups in the adsorption of metal ions to clay minerals.

• Korean Chemical Engineering Research
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• v.43 no.6
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• pp.704-714
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• 2005

Phase separations of Poly(4-vinylphenol)(PVPh)/Ethyl Acetate and PVPh/Butyl Acetate solutions were measured using the thermal optical analysis (TOA) method. The experimental phase separation data were correlated with liquid-liquid equilibria relations based on PC-SAFT equation of state. The phase separations of these system showed the behaviors of LCST (lower critical solution temperature)-type. The measured cloud temperatures were lowered with increasing in molecular weights of polymer(PVPh), and cloud temperatures of PVPh/Ethyl Acetate solutions shifted to lower temperature regions, compared to the PVPh/Butyl Acetate solutions. Extents of cross-association between solvent molecule and polymer in the PVPh/Ethyl Acetate solutions were measured using the FT-IR spectrum analysis method, and cross-association parameters of PC-SAFT model were estimated from experimental extents of cross-association. By using the estimated cross-association parameters between PVPh and solvent molecule, binodal and spinodal curves of liquid-liquid equilibria in PVPh/Ethyl Acetate and PVPh/Butyl Acetate solutions were calculated from PC-SAFT equation of state. The calculated binodal curves of these system were shown to be well agreeable with the experimental cloud temperature curves.

• Korean Chemical Engineering Research
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• v.43 no.6
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• pp.668-674
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• 2005

It is reported that a method for the hydrogen production from the propane decomposition using carbon black as a catalyst is more effective than from the methane decomposition. Since the by-products like CO and $CO_2$ are not produced by the direct decomposition of propane, it is considered as an environmentally sustainable process. In this study, hydrogen was produced by the direct decomposition of propane using either commercial activated carbon or carbon black at atmospheric pressure in the temperature range of $500-1,000^{\circ}C$. Resulting products in our experiment were not only hydrogen but also several by-products such as methane, ethylene, ethane, and propylene. Hydrogen yield increased as temperature increased because the amount of those by-products produced in the experiment was inversely proportional to temperature. The achieved hydrogen yield at $750^{\circ}C$ with commercial DCC N330 catalyst was 22.47％ in this study.

• Korean Chemical Engineering Research
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• v.54 no.4
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• pp.548-554
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• 2016

In this study, semi-aqueous solutions containing carboxylic acids such as oxalic acid (OA), lactic acid (LA) and citric acid (CA) were formulated for the removal of copper etching residues produced at the interconnection process, and their characteristics were analyzed. Carboxylic acids in the solutions were apt to form various copper complexes according to the value of pH. Semi-aqueous solution containing 10 wt% CA showed the lowest etching rate of copper in the range from pH2 to pH7 and the highest selectivity in the range of pH 2 to pH 4. However, the cleaning solution containing 10 wt% LA revealed the superior selectivity at the range from pH 5 to pH 7. Appropriate selection of carboxylic acid should be required to improve the performance of cleaning solution. In the case of CA, the etching selectivity of copper oxide complex to copper was increased with the concentration of CA in the solution, when the solutions contain over 5 wt% CA, the copper interconnection layer has a metallic copper surface more than 88% in the area. The result shows that CA contained semi-aqueous solution has a relatively good cleaning ability.

• Korean Chemical Engineering Research
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• v.47 no.1
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• pp.38-45
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• 2009

In this study, interfacial properties were measured for imidazoline type cationic surfactant system which has been widely used as a fabric softener, a dispersant, an anti-static agent, a bleach activator, and an emulsifier. The CMC of imidazoline surfactant was near $6{\times}10^{-5}mol/L$ and the surface tension at CMC was about 32 mN/m. It was found that surface tension was not affected by surfactant concentration but decreased with an increase in pH. The interfacial tension between 1 wt% aqueous solution and n-dodecane was shown to be about 0.01 mN/m and equilibration time was not affected by pH. Phase behavior experiment in a binary aqueous surfactant system showed that only micellar solution of $L_1$ phase was found under conditions of temperature and pH investigated during this study. Only a two-phase region consisting of lower-phase microemulsion in equilibrium with excess oil phase existed under the same conditions, when oil was added to the binary surfactant system. The foam stability measured with 1 wt% surfactant solution increased with pH, which is consistent with surface tension measurement result. QCM(quartz crystal microbalance) measurement showed that surfactant adsorption increased with surfactant concentration but decreased with pH. According to the friction measurement, best fabric softening effect by imidazoline surfactant system was found under alkali conditions.

• Korean Journal of Environmental Agriculture
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• v.25 no.3
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• pp.257-261
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• 2006

Zerovalent iron (ZVI) has been recently used for environmental remediation of soils and groundwaters contaminated by chlorinated organic compounds. As a new approach to improve its reductive activity and stability, zerovalent iron-montmorillonites (ZVI-Mt) complex are synthesized by simple process. Therefore, this study was carried out to elucidate the characteristics of ZVI-Mt complex and to investigate degradation effects of fungicide chlorothalonil. The XRD patterns of ZVI-Mt complex showed distinctive peaks of ZVI and montmorillonite. In ZVI-Mt complex, the oval particles of ZVI were partly surrounded by montmorillonite layers that could prevent ZVI surface oxidation by air. The degradation ratio of chlorothalonil after 60 min exhibited 71% by ZVI and 100% by ZVI-Mt complex. ZVI-Mt21 complex exhibited much higher and faster degradation ratio of chlorothalonil compare to that of ZVI or ZVI-Mt11 complex. Also, degradation rate of chlorothalonil was increased with increasing ZVI or ZVI-Mt complex content and with decreasing initial solution pH.

• Korean Journal of Food Science and Technology
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• v.40 no.3
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• pp.290-296
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• 2008

This study examined the physicochemical properties of chemically and enzymatically cross-modified waxy rice starches. The waxy rice starch was cross-linked using phosphorous oxychloride, and then partially hydrolyzed with four commercial ${\alpha}$-amylases (Fungamyl, Termamyl, Liquozyme, Kleistase). Swelling power and the moisture sorption isotherm did not change with cross-modification. Two cross-modified waxy rice starches (hydrolyzed with Termamyl and Liquozyme) showed higher solubilities than native starch and the two other cross-modified starches (hydrolyzed with Fungamyl and Kleistase). In terms of RVA characteristics, the two cross-modified waxy rice starches hydrolyzed with Termamyl and Liquozyme, respectively, had lower peak viscosity, holding strength, and final viscosity than the native starch. However, the two starches hydrolyzed with Fungamyl and Kleistase, respectively, revealed higher peak viscosity, holding strength, and final viscosity than the native starch. No differences were displayed in the X-ray diffraction patterns and DSC thermal characteristics of the cross-modified waxy rice starch as compared to both the native and cross-linked starches, indicating that cross-linking and enzymatic hydrolysis occurred in the amorphous region and did not alter the crystalline region.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.108-108
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• 2000

급증하는 무선통신 정보수요는 특히, 고주파대역 (300NHz-300GHz)에서 사용되는 공진기, 필터, 발진기 등과 같은 소자의 품질향상을 요구하고 있다. 고주파용 유전체 중 ZrTiO4 는 $\alpha$-PbO2 계열의 사방정구조를 갖고 있는 유전체로서 높은 유전율 ($\varepsilon$=40)과 높은 품질계수 (Q=1/tan$\delta$=4700 at 7GHz)를 갖고 있고, Sn 첨가시 0ppm/$^{\circ}C$의 공진주파수 온도계수를 얻을 수 있다고 보고되어 있다. 본 연구에서는 약 110$0^{\circ}C$ 이상에서 안정한 상으로 존재하는 ZrTiO4를 저온에서 증착하여 준안정한 상태로 결정화되게 한후, 유전손실 (tan$\delta$)과 유전율($\varepsilon$)을 측정하였다. 또한 증착온도와 열처리과정에 따른 박막의 us형 (Strain) 정도의 변화를 X-선 회절결과로부터 분석하였으며 이를 측정된 유전특성 값과 비교하였다. ZrTiO4 박막은 DC magnetron reactive sputter로 Zr과 Ti 타겟으로부터 high phosphorous doped Si (100) 기판위에 증착하였다. 압력은 4mTorr로 유지하고 박막의 화학양론적 조성비를 맞추기 위해 각 타겟에 가해지는 power는 Zr/Ti=500W/650W로 고정하고, 반응가스의 비율을 Ar/O2=17sccm/3.5sccm으로 유지하여 박막내에 인입되는 산소량을 제어하였다. 증착 직후와 열처리 후의 박막특성을 비교하기 위해 증착온도를 상온에서부터 $600^{\circ}C$까지 변호시키고 증착후 각각의 시편을 80$0^{\circ}C$ 산소분위기에서 2시간동안 열처리하여 시편을 준비하였다. 박막의 상형성 여부와 결정성변화는 $ heta$-2$\theta$X-선 회절법을 사용하여 조사하였고, EPMA를 이용하여 박막의 조성을 확인하였다. 유전특성의 측정을 위해 백금 상부전극을 증착한 후, impedance analyzer를 이용하여 100kHz 영역에서의 유전손실을 측정하고, 측정된 정전용량과 박막의 두께로부터 유전율을 계산하였다. ZrTiO4 박막은 증착온도 20$0^{\circ}C$ 이상에서 결정성을 보이기 시작했으며, 열처리 이후에는 상온에서 비정질이었던 시편이 $650^{\circ}C$ 이상의 온도에서 결정화되기 시작하였다. 증착온도에 따라 유전손실은 0.038에서 0.017 정도로 감소하는 경향을 나타냈으며, 각각 열처리에 의해서 0.034, 0.005 정도로 다시 감소하였다. 박막의 유전율은 약 35 정도의 값을 나타내었으며 X-선 회절 data로부터 분석한 박막의 변형은 증온도에 따라 7.2%에서 0.04%로 감소하였고 이 이경향은 유전손실은 감소경향과 일치하였다.

• Journal of the Korean Vacuum Society
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• v.7 no.1
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• pp.66-71
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• 1998

Two kinds of $Ga_2S_3:Er$ (type A and type B) single crystals were grown by the chemical transport reaction method using iodine as a transport agent. The single crystals were crystallized into a monoclinic structure. The optical energy band gaps were found to 3.375 eV for the $Ga_2S_3:Er$ (type A) single crystal and 3.365 eV fir the $Ga_2S_3:Er$ (type B) single crystal at 13K. When the $Ga_2S_3:Er$ (type A and type B) single crystals were excited by the 325 nm-line of a Cd-He laser, Photoluminescence spectra of the $Ga_2S_3:Er$ (type A) single crystal exhibited blue emission band peaked at 444 nm and green and red emission bands peaked at 518 nm and 690 nm. Pgitikynubescebce soectra if the $Ga_2S_3:Er$ (typeB) single crystal showed green and red emission bands peaked at 513 nm and 695 nm. Sharp emission peaks in the two kinds if $Ga_2S_3:Er$ single crystal were observed near 525 nm, 553 nm, 664 nm, 812 nm, 986 nm, and 1540 nm and analysed as originating from the electron transitions between the energy levels of $Er^{3+}$ ion.

• Proceedings of the Materials Research Society of Korea Conference
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• 2012.05a
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• pp.83-83
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• 2012

금속 실리사이드는 낮은 비저항, 실리콘과의 좋은 호환성 등으로 배선 contact 물질로 널리 연구되고 있다. 특히 $CoSi_2$는 선폭의 축소와 관계없이 일정하고 낮은 비저항과 열적 안정성이 우수한 특성 등으로 배선 contact 물질로 활발히 연구되고 있다. 금속 실리사이드를 실리콘 평면기판에 형성시키는 방법으로는 열처리를 통한 금속박막과 실리콘 기판 사이에 확산작용을 이용한 SALICIDE (self-algined silicide) 기술이 대표적이며 CoSi2도 이와 같은 방법으로 형성할 수 있다. Co 박막을 증착하는 방법에는 물리적 기상증착법 (PVD)과 유기금속 화학 증착법 등이 보고되어있지만 최근 급격하게 진행 중인 소자구조의 나노화 및 고 단차화에 따라 기존의 증착 기술은 낮은 단차 피복성으로 인하여 한계에 부딪힐 것으로 예상되고 있다. ALD(atomic layer deposition)는 뛰어난 단차 피복성을 가지고 원자단위 두께조절이 용이하여 나노 영역에서의 증착 방법으로 지대한 관심을 받고 있다. 앞선 연구에서 본 연구진은 CoCp2 전구체과 $NH_3$ plasma를 사용하여 Plasma enhanced ALD (PE-ALD)를 이용한 고 순도 저 저항 Co 박막 증착 공정을 개발 하고 이를 SALICIDE 공정에 적용하여 $CoSi_2$ 형성 연구를 보고한 바 있다. 하지만 이 연구에서 PE-ALD Co 박막은 플라즈마 고유의 성질로 인하여 단차 피복성의 한계를 보였다. 이번 연구에서 본 연구진은 Co(AMD)2 전구체와 $NH_3$, $H_2$, $NH_3$ plasma를 반응 기체로 사용하여 Thermal ALD(Th-ALD) Co 및 PE-ALD Co 박막을 증착 하였다. 고 단차 Co 박막의 증착을 위하여 Th-ALD 공정에 초점을 맞추어 Co 박막의 특성을 분석하였으며, Th-ALD 및 PE-ALD 공정으로 증착된 Co 박막의 단차를 비교하였다. 연구 결과 Th-ALD Co 박막은 95% 이상의 높은 단차 피복성을 가져 PE-ALD Co 박막의 단차 피복성에 비해 크게 향상되었음을 확인하였다. 추가적으로, Th-ALD Co 박막에 고 단차 박막의 증착이 가능한 Th-ALD Ru을 capping layer로 이용하여 CoSi2 형성을 확인하였고, 기존의 PVD Ti capping layer와 비교하였다. 이번 연구에서 Co 박막 및 $CoSi_2$ 의 특성 분석을 위하여 X선 반사율 분석법 (XRR), X선 광전자 분광법 (XPS), X선 회절 분석법 (XRD), 주사 전자 현미경 (SEM), 주사 투과 전자 현미경 (STEM) 등을 사용하였다.