• Title/Summary/Keyword: Reactants

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An atomistic model for hierarchical nanostructured porous carbons in molecular dynamics simulations

  • Chae, Kisung;Huang, Liping
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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    • pp.403.2-403.2
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    • 2016
  • Porous materials play a significant role in energy storage and conversion applications such as catalyst support for polymer electrolyte membrane fuel cell. In particular, hierarchical porous materials with both micropores (poresize, ${\delta}$ < 2 nm) and regularly arranged mesopores (2 nm < ${\delta}$ < 50 nm) are known to greatly enhance the efficiency of catalytic reactions by providing enormous surface area as well as fast mass transport channels for both reactants and products from/to active sites. Although it is generally agreed that the microscopic structure of the porous materials directly affects the performance of these catalytic reactions, neither detailed mechanisms nor fundamental understanding are available at hand. In this study, we propose an atomistic model of hierarchical nanostructured porous carbons (HNPCs) in molecular dynamics simulations. By performing a systematic study, we found that structural features of the HNPC can be independently altered by tuning specific synthesis parameters, while remaining other structures unchanged. In addition, we show some structure-property relations including mechanical and gas transport properties.

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Quantitative Evaluation on Photocatalytic Activity of Anatase TiO2 Nanocrystals in Aqueous Solution

  • Jeon, Byungwook;Kim, Yu Kwon
    • Applied Science and Convergence Technology
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    • 제24권4호
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    • pp.96-101
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    • 2015
  • Quantitative evaluation of photocatalytic activity of oxide nanoparticles in aqueous solution is quite challenging in that the kinetic reaction rate is determined by a complicated interplay among various limiting factors such as light scattering and absorption, diffusion and adsorption of reactants in condensed liquid phase, photoexcited charge separation and recombination rate, and the exact nature of active sites determined by detailed morphology and crystallinity of nanocrystals. Here, we present our simple experimental results showing that the kinetic regime of a typical photocatalytic degradation experiment over UV-irradiated $TiO_2$ nanoparticles in aqueous solution is in that dominated by the photoactivity of $TiO_2$ and its concentration. This result lays a firm ground of using the measured kinetic reaction rate in evaluating photocatalytic efficiency of oxide nanocrystals under evaluation.

Spontaneous Formation of Revival Waves in the 1,4-Cyclohexanedione-Bromate-Ferroin Reaction

  • Huh, Do-Sung;Kim, Young-Joon;Kim, Hye-Sook;Kang, Jong-Kon;Choe, Sang-Joon
    • Bulletin of the Korean Chemical Society
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    • 제25권2호
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    • pp.267-270
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    • 2004
  • The bromate-1,4-cyclohexanedione-ferroin oscillating reactions are uncovered to support two types of wave activities, in which spontaneous formation of circular waves has been achieved after the disappearance of initial waves. The induction period of the revival wave is typically above 10 hours and its dependence on the initial concentrations of reactants is qualitatively different from that of initial waves. In addition to their differences in propagating speed and wavelength, the initial waves and the revival patterns have different colors, suggesting that different reaction mechanisms are involved in the formation of these spatiotemporal behaviors. Our experiments further show that the addition of hydroquinone to the reacting system can significantly shorten the induction time of the revival wave, which implicates that hydroquinone is not only a product in the bromate-1,4-cyclohexanedione-ferroin oscillating reaction but also plays a critical role in the following reactions.

Synthesis, Characterization and Luminescent Properties of Eu-Containing Polyoxometalate

  • Kim, Hee-Sang;Hoa, Dinth Thi Minh;Lee, Burm-Jong;Park, Dong-Ho;Kwon, Young-Soo
    • 한국정보디스플레이학회:학술대회논문집
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    • 한국정보디스플레이학회 2004년도 Asia Display / IMID 04
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    • pp.609-611
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    • 2004
  • Sodium salt of photoluminescent Eu-containing polyoxometalate (Eu-POM) was newly synthesized and its chemical structure and physical properties characterized. The Eu-POM was unstable outside the pH range 5.5-8.5, and a pH just over 7 gave the best yield. We have investigated the photoluminescent properties of Eu-POM with changing the reactants ratio of heteropolytungstate and $EuCl_3{\cdot}6H_2O}$. The Eu-POM was characterized by UV/Vis, FT-IR, $^1H$-NMR, PL and XPS. Eu-POM emits orange light of 590nm when excited with the light of 280nm. Furthermore, we made dodecyltrimethylammonium (DDTA) salt of Eu-POM (Eu-POM/DDTA) by exchange of the counter cation. The Eu-POM/DDTA is soluble in common organic solvents, while Eu-POM is only soluble in water. And it emits reddish orange light of 625nm when excited with light of 250nm.

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수중불분리성 콘크리트의 해수침식에 대한저항성 평가 (Assessment on the Seawater Attack Resistance of Antiwashout Underwater Concrete)

  • 문한영;김성수;안태송;이승태;김종필
    • 한국콘크리트학회:학술대회논문집
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    • 한국콘크리트학회 2001년도 봄 학술발표회 논문집
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    • pp.683-688
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    • 2001
  • In case of constructing the concrete structures under seawater environment, the concrete suffers from deterioration due to penetration of various ions such as chloride, sulfate and magnesium in seawater. Tn the present study, Immersion tests with artificial seawater were carried out to investigate the resistance to seawater attack of antiwashout underwater concrete. From the results of compressive strength, it was found that blended cement concrete due to mineral admixtures such as fly ash(FA) and ground granulated blast-furnace slag(SGC), were superior to ordinary portland cement concrete with respect to the resistance to seawater attack. Moreover, XRD analysis indicated that the formed reactants of ordinary portland cement paste by sulfate and magnesium ions led to the deterioration of concrete. As expected, however, the blended cements with FA or SGC have a good resistance to seawater attack. This paper would discuss the mechanism of seawater deterioration and benefical effects of antiwashout underwater concretes with mineral admixtures.

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Al2(SO4)3.18H2O로부터 AlN 분말의 합성: I. 침전법 (Synthesis of AlN Powder from Al2(SO4)3.18H2O: I. Precipitation Method)

  • 이홍림;송태호
    • 한국세라믹학회지
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    • 제28권6호
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    • pp.465-470
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    • 1991
  • AlN powder was synthesized by carbothermal reduction and nitridation of aluminum hydroxides precipitated in 5∼11 pH range from Al2(SO4)3$.$18H2O aqueous solution. Nitridation reactivity of hydroxide, which depends on precipitation pH, reaction temperature and time, was examined by XRD analysis at 1200∼1350$^{\circ}C$ and compared with that of commercial ${\alpha}$-Al2O3. Hydroxides obtained at higher pH could be more easily nitridated and, considering DTA/TG and BET results, the reason seems to be specific surface area difference of reactants depending on the content of decomposed structural water and the transition rate from transition-Al2O3 to ${\alpha}$-Al2O3.

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산화티타늄을 이용한 VOCs의 광촉매 반응 (Photocatalytic Reaction of VOCs Using Titanium Oxide)

  • 정수경
    • 한국환경과학회지
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    • 제17권2호
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    • pp.171-176
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    • 2008
  • The VOCs have a direct influence on indoor air pollution, and stimulate respiratory organs and eyes in human body. Also, most of VOCs are a carcinogenic substances and causes to SBS (sickness building syndrome). Therefore, this study was progressed in photocatalysis of VOCs using UV/$TiO_2$ which was a benign process environmentally. The experiments were performed to know photodegradation characteristics as crystalline structure of $TiO_2$ which had anatase, rutile and P-25 (anatase : rutile = 70 : 30). The main purpose of this study was to identify photocatalytic characteristics as inlet concentration of reactants, $H_2O$, and residence time.

효소면역학적 방법에 의한 식물홀몬 분석 (Enzyme-linked Immunosorbent Assay of Plant Hormones)

  • 노기안
    • 한국작물학회지
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    • 제34권s01호
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    • pp.40-47
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    • 1989
  • In spite of the development of highly sophisticated instrument, the precise quantitation of plant hormones still has many difficulties. Due to their high specificity, sensitivity and minimal sample purification steps, immunological assays have been widely applied for plant hormone assay. Enzme-linked immunosorbent assay technique for the determination of plant hormones was developed by Voller in 1978. Immunological assays are accomplished by competition of labeled tracer antigen and unlabeled antigen for a limited number of specific antibodies. The use of enzyme as replacement labels for radioisotopes enabled much of the sensitivity and specificity of radioimmunoassay (RIA) to be retained but without the inherent disadvantage of high capital cost, potential health hazard, and short shelf life of the labeled reactants.

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CFD 해석을 이용한 PEMFC 용 기체확산층의 특성평가 (The Characteristics Evaluation of the Gas Diffusion Layer for a PEM Fuel Cell by Computational Fluid Dynamics)

  • 김병희;최종필;전병희
    • 한국정밀공학회:학술대회논문집
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    • 한국정밀공학회 2005년도 춘계학술대회 논문집
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    • pp.207-210
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    • 2005
  • In this paper, a two-dimensional cross-channel model was applied to investigate influence of the gas diffusion layer(GDL) property and flow field geometry in the anode side for proton exchange membrane fuel cell(PEMFC). The GDL is made of a porous material such as carbon cloth, carbon paper, or metal wire mesh. To the simplicity, the GDL is represented as a block of material containing numerous pathways through which gaseous reactants and liquid water can pass. The purpose of present work was to study the effect of the GDL thickness and the porosity, and flow field geometry by computational fluid dynamics(CFD)

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Amorphous Carbon Films on Ni using with $CBr_4$ by Thermal Atomic Layer Deposition

  • 최태진;강혜민;윤재홍;정한얼;김형준
    • 한국재료학회:학술대회논문집
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    • 한국재료학회 2011년도 추계학술발표대회
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    • pp.28.1-28.1
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    • 2011
  • We deposited the carbon films on Ni substrates by thermal atomic layer deposition (th-ALD), for the first time, using carbon tetrabromide ($CBr_4$) precursors and H2 reactants at two different temperatures (573 K and 673 K). Morphology of carbon films was characterized by scanning electron microscopy (SEM). The carbon films having amorphous carbon structures were analyzed by X-ray photoemission spectroscopy (XPS) and Raman spectroscopy. As the working temperature was increased from 573 K to 673 K, the intensity of C1s spectra was increased while that of O1s core spectra was reduced. That is, the purity of carbon films containing bromine (Br) atoms was increased. Also, the thin amorphous carbon films (ALD 3 cycle) were transformed to multilayer graphene segregated on Ni layer, through the post-annealing and cooling process.

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