• Bulletin of the Korean Chemical Society
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• 제16권2호
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• pp.112-120
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• 1995

The conformational study on malonic acid, hydrogen malonate, malonate, malonyl methyl sulfide, and malonyl methyl sulfide anion, as the model compounds of malonyl-CoA, was carried out using the semiempirical MO methods (MNDO, AM1, and PM3) and hydration shell model. On the whole, the feasible conformations of malonic acid, hydrogen malonate, and malonate seem to be similar to each other. In malonic acid and malonate, two carboxyl groups are nearly perpendicular to the plane of the carbon skeleton, despite of different orientation of two carboxyl groups themselves. In particular, two carboxyl groups of hydrogen malonate are on the plane formed by carbon atoms with an intramolecular hydrogen bond. The calculated results on the geometry and conformation of three compounds are reasonably consistent with those of X-ray and spectroscopic experiments as well as the previous calculations. The orientation of two carbonyl groups of malonyl methyl sulfide is quite similar to that of malonic acid, but different from that of its anion. Especially, the computed probable conformations of the sulfide anion by the three methods are different from each other. The role of hydration seems not to be crucial in stabilizing the overall conformations of malonic acid, hydrogen malonate, malonate, and malonyl methyl sulfide. However, the probable conformations of the unhydrated sulfide anion obtained by the MNDO and AM1 methods become less stabilized by including hydration. The AM1 method seems to be appropriate for conformational study of malonyl-CoA and its model compounds because it does not result in the formation of too strong hydrogen bonds and significant change in conformational energy from one compound to another.

• 한국환경과학회지
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• 제8권3호
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• pp.337-347
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• 1999

This study was carried out to evaluate the characteristics of dissolved organics based on their origins, which were divided into two categories. The first group consisted of river, lake and secondary sewage treatment effluent, which were chosen as representative of their origins. The second group were artificial samples which were made of AHA(Aldrich humic acids) and WHA(Wako humic acids). Physicochemical characteristics, biological degradability and THMEP(trihalomethane formation potential) of the samples were analysed based on the AMWD(apparent molecular weight distribution). Large portion of dissolved organic carbon(DOC) in the river and lake samples was comprised of LMW(low molecular weight), which that of AHA and WHA was HMW(high molecular weight). The DOC of the lake was evenly distributed in the all range of molecular weight. The river, lake and secondary treated effluent have lower ultraviolet(UV) absorbance at 254nm, and have a higher amount of humic acids. Higher absorbance of humic acids means that aliphatic bond and benzenoid type components that absorb UV light were contained in these kind of humic acids. It was expected that lake sample was the most biodegradable in the different samples investigated, and in order of secondary sewage treatment effluent, river, WHA and AHA based on the result of determination of specific ultraviolet absorbance(SUVA). Biodegradability showed similar result except for AHA, while dissolved organics in the range of LMW decreased during the biodegradability test, and on the contrary those of HMW increased. Production of the SMPs(soluble micobial products) was observed during humicfication of dissolved organics and the SMPs were higher production of the SMPs. THM formation was high in the samples containing HMW and similar tendency was shown in the THMEP(trihalomethane formation potential), except for WHA.

• 한국전산구조공학회:학술대회논문집
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• 한국전산구조공학회 1994년도 가을 학술발표회 논문집
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• pp.160-166
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• 1994

In general, the problems of strengthening and repairing of deteriorated or damaged reinforced concrete members are usually worked out in situ by externally bounding steel plates using epoxy resins, which has been recognized to be one of effective and convenient methods. But the disadvantages of strengthening/repairing concrete members with externally bonded steel plates include ; (a) deterioration of the bond at the steel-concrete interface caused by the corrosion of steel ; (b) difficulty in manipulating the plate at the construction site ; (c) improper formation of joints, due to the limited delivery lengths of the steel plates ; and etc. Therefore these difficulties eventually have led to the concept of replacing the steel plates by fiber-reinforced composite sheets which are characterized by their light weight, extremely high stiffness, excellent fatigue properties, and outstanding corrosion resistance. In the paper, for the reliability assessment of reinforced concrete beams externally strengthened by carbon fiber plastic(CFRP) laminates, an attempt is made to suggest a limit state model based on the strain compatibility method and the concept of fracture mechanics. And the reliability of the proposed models is evaluated by using the AFOSM method. The load carrying capacity of the deteriorated and/or damaged RC beams is considerably increased. Thus, it may be stated that the post-strengthening of concrete beams with externally bonded CFRP materials may be one of very effective way of increasing the load carrying capacity and stiffeness characteristics of existing structures.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2003년도 하계학술대회 논문집 Vol.4 No.1
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• pp.203-207
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• 2003

Ion implantation has been shown to significantly alter the surface properties of polymers. Polycarbonate(PC) and Polyimide(PI) were irradiated with 50keV $N^+$, $Xe^+$ ions to the fluences of $1{\times}10^{16}{\sim}3{\times}10^{17}\;cm^2$. The ion beam-induced modification of the electrical conductivity and the related structural features have been studied for polymers. The beam-induced chemical and structural modifications have been investigated by using X-ray Phooelectron Spectroscopy(XPS) and Fourier Transform-Infrared Spectroscopy(FT-IR), while the modification of the electrical properties was followed by performing a complete set of sheet resistance measurements. Samples irradiated at higher fluence showed a good conductivity, with a saturation value of $10^7{\Omega}/sq$. The XPS data demonstrate that the modification of the electrical properties is due to the progressive formation with increasing ion fluence of a dense amorphous carbon network, while PF-IR data reveal that material degradations through bond breaking are the main effects.

• 대한화학회지
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• 제16권6호
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• pp.334-340
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• 1972

메틸 클로로 티올, 메틸클로로 티오노 및 메틸 클로로 디티오 훠메이트에 대하여 CNDO/2 계산을 실시하였다. 결과로 이들 화합물은 trans형이 안정한 것임을 밝혔다. 또 유황 원자는 산소원자에 비하여 그 고립쌍 전자들을 ${\pi}$-결합 형성에 사용하려는 경향이 적고 티올 훠메이트의 경우는 메틸기의 hyperconjugation에 의하여 안정화됨을 알았다. 가용매 반응성의 순서는 양이온의 안정도와 일치하며 이것은 알려진 $S_N1$형 반응 메카니즘과 부합된다.

• 한국세라믹학회지
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• 제44권7호
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• pp.393-402
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• 2007

Polyaluminocarbosilane was synthesized by direct reaction of polydimethylsilane with aluminum(III)-acetylacetonate in the presence of zeolite catalyst. A fraction of higher molecular weight polycarbosilane was formed due to the binding of aluminium acetylacetonate radicals with the polycarbosilane backbone. Small amount of Si-O-Si bond was observed in the as-prepared polyaluminocarbosilane as the result. Polyaluminocarbosilane fiber was obtained through a melt spinning and was pyrolyzed and sintered into SiC fiber from $1200{\sim}2000^{\circ}C$ under a controlled atmosphere. The nucleation and growth of ${\beta}-SiC$ grains between $1400{\sim}1600^{\circ}C$ are accompanied with nano pores formation and residual carbon generation. Above $1800^{\circ}C$, SiC fiber could be sintered to give a fully crystallized ${\beta}-SiC$ with some ${\alpha}-SiC$.

• 청정기술
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• 제26권4호
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• pp.286-292
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• 2020

본 연구는 Cu/CeO2-X 촉매의 저온 CO 산화 활성에 미치는 영향을 촉매의 구조적 특성, 반응 특성을 통해 확인하였다. 사용된 촉매는 습윤 함침법으로 제조되었으며, 각기 다른 소성온도(300~600 ℃)에서 형성된 CeO2 (지지체)를 이용하여 Cu (활성금속)를 담지함으로써 Cu/CeO2-X 촉매를 제조하였다. 제조된 Cu/CeO2-X 촉매는 저온 CO 산화 활성을 평가하였다. 125 ℃에서 Cu/CeO2_300 촉매는 90% 이상의 활성을 나타냈으며, CeO2의 소성온도가 증가됨에 따라 활성이 점차 감소하여, Cu/CeO2_600 촉매는 65%를 나타냈다. 다음으로 촉매의 물리/화학적 특성을 Raman, BET, XRD, H2-TPR, XPS 분석으로 확인하였다. XPS 분석 결과, CeO2-X의 소성온도가 낮을 수록 불안정한 Ce3+ 종(비 화학양론 종) 비율이 증가하였다. 증가된 Ce3+종은 Cu와 결합함으로 써 치환결합을 형성하였으며 Raman 분석의 CeO2 peak 변화와 H2-TPR 분석의 치환결합 구조의 환원 peak를 통해 확인하였다. 결과적으로 Cu와 CeO2의 치환 결합 형성은 촉매의 redox 특성 및 저온 CO 산화 활성을 증진시켰다고 판단된다.

• 한국재료학회지
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• 제28권1호
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• pp.6-11
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• 2018

There are various manufacturing processes for pure $SiO_2$ that is used as abrasives, chemicals, filters, and glasses, and in metallurgy and optical industries. In the optical fiber industry, to produce $SiO_2$ preform, $SiCl_4$ is utilized as a raw material. However, the combustion reaction of $SiCl_4$ has caused critical environmental issues, such as ozone deficiency by chlorine compounds, the greenhouse effect by carbon dioxide and corrosive gas such as hydrochloric acid. Thus, finding an alternative source that does not have those environmental issues is important for the future. Octamethylcyclotetrasiloxane (OMCTS or D4) as a chlorine free source is recently promising candidate for the $SiO_2$ preform formation. In this study, we first conducted a vaporizer design to vaporize the OMCTS. The vaporizer for the OMCTS vaporization was produced on the basis of the results of the vaporizer design. The size of the primary particle of the $SiO_2$ formed by OMCTS was less than 100 nm. X-ray diffraction patterns of the $SiO_2$ indicated an amorphous phase. Fourier-transform infrared spectroscopy analysis revealed the Si-O-Si bond without the -OH group.

• Bulletin of the Korean Chemical Society
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• 제2권2호
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• pp.71-75
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• 1981

Vacuum ultraviolet photolysis of ethyl bromide was studied at 104.8-106.7 nm (11.4-11.6 eV) in the pressure range of 0.2-18.6 torr at $25^{\circ}$ using an argon resonance lamp with and without additives, i.e., NO and He. Since the ionization potential of $CH_3CH_2Br$ is lower than the photon energy, the competitive processes between the photoionization and the photodecomposition were also investigated. The observations indicated that 50% of absorbed light leads to the former process and the rest to the latter one. In the absence of NO the principal reaction products for the latter process were found to be $CH_4, C_2H_2, C_2H_4, C_2H_6, and C_3H_8$. The product quantum yields of these reaction products showed two strikingly different phenomena with an increase in reactant pressure. The major products, $C_2H_4$ and $C_2H_6$, showed positive effects with pressure whereas the effects on minor products were negative in both cases, i.e., He and reactant pressures. Addition of NO completely suppresses the formation of all products except $C_2H_4$ and reduces the $C_2H_4$ quantum yield. These observations are interpreted in view of existence of two different electronically excited states. The initial formation of short-lived Rydberg transition state undergoes HBr molecular elimination and this state can across over by collisional induction to a second excited state which decomposes exclusively by carbon-bromine bond fission. The estimated lifetime of the initial excited state was ${\sim}4{\times}10^{-10}$ sec. The extinction coefficient for $CH_3CH_2Br$ at 104.8-106.7 nm and $25{\circ}$ was determined to be ${varepsilon} = (1/PL)ln(I_0/I_t) = 2061{\pm}160atm^{-1}cm6{-1}$ with 95% confidence level.

• Journal of the Korean Wood Science and Technology
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• 제37권1호
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• pp.87-93
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• 2009

목재의 탄화과정에서 일어나는 화학적 변화를 알아보기 위하여 목탄의 기초물성과 화학결합양식의 변화를 조사하였다. 탄화온도 증가에 따른 pH 변화에 있어서는, $300^{\circ}C$와 같이 낮은 온도에서 탄화한 탄화물의 pH는 약산성 또는 중성에 가까우나, $600^{\circ}C$ 이상에서 탄화한 고온탄화물의 pH는 알칼리성을 띠는 것으로 나타났다. 또한 탄화온도가 증가하여 탄화정도가 더욱 진행되면, 탄재 내의 탄소함량이 증가하고, 수소와 산소함량이 감소하였으며, 이러한 경향은 $600^{\circ}C$까지의 탄화에서 현저하게 나타났으나, $600^{\circ}C$ 이상의 탄화온도에서는 그 변화가 완만하였다. 탄화온도가 높아짐에 다라 C-C 결합 비율이 증가하고, C-O-H 또는 C-O-R 결합 비율이 감소하는 경향이 뚜렷이 나타났다. 이는 C-O-H 등 산소를 포함한 결합이 분해되어 C-C결합 비율이 높아지고, 이는 새로운 관능기의 생성과도 관련되는 것으로 추정된다. 또한 탄화 온도의 상승에 따라 C=O결합 등의 비율이 다소 증가 또는 감소하는 것으로 보아, 일부는 분해, 생성, 재결합 등의 과정을 거치는 것으로 판단된다. 목탄의 이와 같은 화학적 변화에 대한 인식은 세공 특성 등 물리적인 파라메타만으로 흡착성을 이해하려고 할 때 발생하는 한계를 극복할 수 있는 사고가 되며, 또한 목탄의 성능개선과 신용도 개발의 기초가 될 것으로 생각된다.