• Title/Summary/Keyword: $H_2O $

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Geometrical Characteristics and Reactivities of Tetracoordinated Pd Complexes: Mono- and Bidentate Ligands and Charged and Uncharged Ligands

  • Yoo, Jin-Seon;Ha, Dong-Su;Kim, Jae-Sang;Kim, Bong-Gon;Park, Jong-Keun
    • Bulletin of the Korean Chemical Society
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    • v.29 no.3
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    • pp.627-640
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    • 2008
  • The geometrical structures, atomic charges, and relative energies of tetracoordinated Pd complexes [PdCl3Z (Z = Cl-, Br-, OH?-, H2O, NH3, PH3), PdCl2Z2 (Z = Br-, OH?-, H2O, NH3, PH3), PdZ?2X (Z = Cl-, OH?-, H2O, NH3, PH3; X = oxalate, O2-?CCO2-), and PdZ2Y (Z = Cl?-, OH?-, H2O, NH3, PH3; Y = succinate, CO2-?CHCHCO2-?)] and the ligand exchange reactions of the Pd complexes were investigated using the ab initio second order Mller-Plesset perturbation (MP2) and Density Functional Theory (DFT) methods. The geometrical characteristics of the tetracoordinated Pd(II) complexes with mono- and bidentate ligands, the effects of the atomic charges for the charged and uncharged ligands, the (dz2-p ) interactions between the dz2-orbital of Pd(II) and the p -orbital of bidentates, and the relative stabilities between the isomers of PdCl2Z2 and PdZ2Y were investigated in detail. The potential energy surfaces for the ligand exchange reactions used for the conversions of {[PdCl2(NH3)2] + H2O} to {[PdCl(NH3)2(H2O)]+ + Cl?-?} and {[PdCl2(PH3)2] + H2O} to {[PdCl(PH3)2(H2O)]+ + Cl?-?]} were investigated. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes were also examined quantitatively.

Optimization of SnO2 Based H2 Gas Sensor Along with Thermal Treatment Effect (열처리 효과에 따른 SnO2 기반 수소가스 센서의 특성 최적화)

  • Jung, Dong Geon;Lee, Junyeop;Kwon, Jinbeom;Maeng, Bohee;Kim, Young Sam;Yang, Yi Jun;Jung, Daewoong
    • Journal of Sensor Science and Technology
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    • v.31 no.5
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    • pp.348-352
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    • 2022
  • Hydrogen gas (H2) which is odorless, colorless is attracting attention as a renewable energy source in varions applications but its leakage can lead to disastrous disasters, such as inflammable, explosive, and narcotic disasters at high concentrations. Therefore, it is necessary to develop H2 gas sensor with high performance. In this paper, we confirmed that H2 gas detection ability of SnO2 based H2 gas sensor along with thermal treatment effect of SnO2. Proposed SnO2 based H2 gas sensor is fabricated by MEMS technologies such as photolithgraphy, sputtering and lift-off process, etc. Deposited SnO2 thin films are thermally treated in various thermal treatement temperature in range of 500-900 ℃ and their H2 gas detection ability is estimatied by measuring output current of H2 gas sensor. Based on experimental results, fabricated H2 gas sensor with SnO2 thin film which is thermally treated at 700 ℃ has a superior H2 gas detection ability, and it can be expected to utilize at the practical applications.

Thermal Shock Behavior of $Al_2O_3$-$ZrO_2$ Ceramics Prepared by a Precipitation Method (침전법으로 제조한 $Al_2O_3$-$ZrO_2$계 세라믹스의 열충격 거동)

  • 홍기곤;이홍림
    • Journal of the Korean Ceramic Society
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    • v.28 no.1
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    • pp.11-18
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    • 1991
  • A precipitation method, one of the most effective liquid phase reaction methods, was adopted in order to prepare high-tech Al2O3/ZrO2 composite ceramics, and the effects of stress-induced phase transformation of ZrO2 on thermal shock behavior of Al2O3-ZrO2 ceramics were investigated. Al2(SO4)3.18H2O, ZrOCl2.8H2O and YCl3.6H2O were used as starting materials and NH4OH as a precipitation agent. Metal hydroxides were obtained by single precipitation(process A) and co-precipitation(process B) method at the condition of pH=7, and the composition of Al2O3-ZrO2 composites was fixed as Al2O3-15v/o ZrO2(+3m/o Y2O3). Critical temperature difference showing rapid strength degradation by thermal shock showed higher value in Al2O3/ZrO2 composites(process A : 20$0^{\circ}C$, process B : 215$^{\circ}C$) than in Al2O3(175$^{\circ}C$). The improvement of thermal shock property for Al2O3/ZrO2 composites was mainly due to the increase of strength at room temperature by adding ZrO2. The strength degradation was more severe for the sample with higher strength at room temperature. Crack initiation energies by thermal shock showed higher values in Al2O3/ZrO2 composites than in Al2O3 ceramics due to increase of fracture toughness by ZrO2.

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Antioxidative Effect and Melanogenesis of Nelumbo nucifera Stamen Extract on Cultured Human Skin Melanoma Cells Injured by Hydrogen Peroxide (연꽃수술추출물이 과산화수소로 손상된 배양 인체피부흑색종세포에 대한 항산화효과 및 멜라닌화에 미치는 영향)

  • Kim, Myoung-Seoup;Park, Yun-Jum;Sohn, Young-Woo
    • Korean Journal of Plant Resources
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    • v.23 no.2
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    • pp.145-150
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    • 2010
  • To examine the antioxidative effect and melanogenesis of Nelumbo nucifera stamen (NNS) extract on hydrogen peroxide $H_2O_2$ induced cytotoxicity in cultured human skin melanoma cells (SK-MEL-3), cell adhesion activity (CAA), tyrosinase inhibitory activity and total amount of melanin synthesis were measured by colorimetric assay. In this study, $H_2O_2$ significantly decreased CAA, and $CAA_{50}$ value of $H_2O_2$ was determined at 30 uM. In the antioxidative effect, NNS extract increased cell adhesion activity which was decreased by $H_2O_2$ induced cytotoxicity, and also, tyrosinase activity and total amount of melanin were decreased by NNS extract. These results suggested that $H_2O_2$ was highly toxic on cultured human skin melanoma cells and NNS extract showed the antioxidative and inhibitory effect of melanogenesis by the increased CAA, and the decresed tyrosinase activity and total amount of melanin synthesis.

$TiO_2$ 광촉매를 이용한 LAS의 제거에 관한 연구

  • 김효정;오윤근;류성필
    • Proceedings of the Korean Environmental Sciences Society Conference
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    • 2001.11a
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    • pp.82-83
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    • 2001
  • LAS(Linear Alkylbenzene sulfonate)를 $TiO_2$ 광촉매를 사용하여 분해시켰을 때 실험조건에 변화를 주어 반응시간에 따른 제거효율을 비교하는 실험을 수행하였다. pH 변화에 의해서는 산성과 중성 영역이 알카리성 영역에 비해 제거효율이 우수하였으며, 파장영역은 254nm > 312nm > 365nm의 순서로 나타났다. UV/$TiO_2$ 공정과 UV/$TiO_2$$H_2O_2$공정을 비교해보면 $H_2O_2$의 첨가에 의한 제거효율이 다소 우수함을 알 수 있었다.

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Effects of Hydrogen Injection by In-Situ and Plasma Post-Treatment on Properties of a ZnO Channel Layer in Transparent Thin Film Transistors (증착시 및 플라즈마 후처리에 의한 수소 주입이 투명 박막 트랜지스터에서 산화아연 채널층의 물성에 미치는 영향)

  • Bang, Jung-Hwan;Kim, Won;Uhm, Hyun-Seok;Park, Jin-Seok
    • Journal of the Semiconductor & Display Technology
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    • v.9 no.1
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    • pp.35-40
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    • 2010
  • We have investigated the effects of hydrogen injection via in-situ gas addition ($O_2$, $H_2$, or $O_2$ + $H_2$ gas) and plasma post-treatment (Ar or Ar + H plasma) on material properties of ZnO that is considered to be as a channel layer in transparent thin film transistors. The variations in the electrical resistivity, optical transmittance and bandgap energy, and crystal quality of ZnO thin films were characterized in terms of the methods and conditions used in hydrogen injection. The resistivity was significantly decreased by injection of hydrogen; approximately $10^6\;{\Omega}cm$ for as-grown, $1.2\;{\times}\;10^2\;{\Omega}cm$ for in-situ with $O_2/H_2\;=\;2/3$ addition, and $0.1\;{\Omega}cm$ after Ar + H plasma treatment of 90 min. The average transmittance of ZnO films measured at a wavelength of 400-700 nm was gradually increased by increasing the post-treatment time in Ar + H plasma. The optical bandgap energy of ZnO films was almost monotonically increased by decreasing the $O_2/H_2$ ratio in in-situ gas addition or by increasing the post-treatment time in Ar + H plasma, while the post-treatment using Ar plasma hardly affected the bandgap energy. The role of hydrogen in ZnO was discussed by considering the creation and annihilation of oxygen vacancies as well as the formation of shallow donors by hydrogen.

THE EVOLUTIONARY STAGE OF H II REGION AND SPECTRAL TYPES OF MASSIVE STARS FROM KINEMATICS OF H2O MASERS IN W51 MAIN

  • Cho, Jae-Sang;Kan-Ya, Yukitoshi;Byun, Yong-Ik;Kurayama, Tomoharu;Choi, Yoon-Kyung;Kim, Mi-Kyoung
    • Journal of The Korean Astronomical Society
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    • v.43 no.2
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    • pp.41-54
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    • 2010
  • We report relative proper motion measurements of $H_{2}O$ masers in massive star-forming region W51 Main, based on data sets of VLBI observations for $H_{2}O$ masers at 22 GHz with Japanese VERA telescopes from 2003 to 2006. Data reductions and single-beam imaging analysis are to measure internal kinematics of maser spots and eventually to estimate the three-dimensional kinematics of $H_{2}O$ masers in W51 Main. Average space motions and proper motion measurements of $H_{2}O$ masers are given both graphical and in table formats. We find in this study that W51 Main appears to be associated with hyper-compact H II region with multiple massive proto-stars whose spectral types are of late O.

Characteristic Analysis of Double Effect Absorption Refrigeration Machine using $H_{2}O/LiBr+HO{(CH_{2})}_{3}OH$ ($H_{2}O/LiBr+HO{(CH_{2})}_{3}OH$를 이용한 2중 효용 흡수식 냉동기 특성해석)

  • 문춘근
    • Journal of Advanced Marine Engineering and Technology
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    • v.22 no.6
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    • pp.792-799
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    • 1998
  • Further improvement of existing $H_{2}O/LiBr$ absorption refrigeration machine is absolutely neces-sary to promote the utilization of gas-cooling system Among various methods to improve the per-formance of the absorption refrigeration machine this research has focused on the use of a new working fluid that has better properties than the existing $H_{2}O/LiBr$ working fluid. In the series of the research, $H_{2}O/LiBr+HO{(CH_{2})}_{3}OH$ system was selected as the most promisable candidate. The absorption refrigeration machine is water-cooled double-effect, $H_{2}O/LiBr+HO{(CH_{2})}_{3}OH$ sys-tem with series flow type. In this study we found out the characteristic of new working solution through the cycle simulation and compared the result with that of LiBr solution to evaluate. Theoptimum designs and operating conditions were determined based on the operating constraints and the coefficient of performance. Results demonstrate that new working fluid subsrantially increases COP by as much as 10% and has a wider working range with 8% higher crystallization limits compared to the conventional $H_{2}O/LiBr$.

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Characterization of Humic Acid in the Chemical Oxidation Technology(I) - Characteristics by Photocatalytic Oxidation Process - (화학적 산화법에 의한 부식산의 분해 처리기술에 관한 연구(I) - 광산화공정을 통한 부식산의 분해특성 분석 -)

  • Kim, Jong Boo;Rhee, Dong Seok
    • Analytical Science and Technology
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    • v.13 no.2
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    • pp.234-240
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    • 2000
  • The efficiency of Photocatalytic Oxidation Process were investigated for the treatment of Aquatic Humic Substances (AHS). In UV-only system, pH 7-9 was the optimum pH range for TOC removal, and alkali range was the optimum pH for absorbance decrease. In UV/$TiO_2$ system, the optimum $TiO_2$ dosage was 50ppm and over 50ppm of $TiO_2$ dosage was not effective for removal of AHS. In UV/$H_2O_2$ system, optimum $H_2O_2$ dosage was 20mM, when over 20mM dosage, removal of TOC (Total Organic Carbon) and absorbance was decreased. Radical scavenger affected on the photo-oxidation of AHS. Removal rate of TOC and absorbance was decreased by addition of carbonate ions and TOC removal was more effected than that of absorbance.

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One-Pot Reaction Involving Two Different Amines and Formaldehyde Leading to the Formation of Poly(Macrocyclic) Cu(II) Complexes

  • Lee, Yun-Taek;Kang, Shin-Geol
    • Bulletin of the Korean Chemical Society
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    • v.33 no.8
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    • pp.2517-2522
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    • 2012
  • New polynuclear poly(hexaaza macrocyclic) copper(II) complexes $[1](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$, $[2](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$, and $[3](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$ have been prepared by the one-pot reaction of formaldehyde with ethylenediamine and 1,2-bis(2-aminoethoxy)ethane, 1,3-diaminopropane, or 1,6-diaminohexane in the presence of the metal ion. The polymer complexes contain fully saturated 14-membered hexaaza macrocyclic units (1,3,6,8,10,13-hexaazacyclotetradecane) that are linked by $N-(CH_2)_2-O-(CH_2)_2-O-(CH_2)_2-N$, $N-(CH_2)_3-N$, or $N-(CH_2)_6-N$ chains. The mononuclear complex $[Cu(H_2L^5)](ClO_4)_4$ ($H_2L^5$ = a protonated form of $L^5$) bearing two $N-(CH_2)_2-O-(CH_2)_2-O-(CH_2)_2-NH_2$ pendant arms has also been prepared by the metal-directed reaction of ethylenediamine, 1,2-bis(2-aminoethoxy)ethane, and formaldehyde. The polymer complexes were characterized employing elemental analyses, FT-IR and electronic absorption spectra, molar conductance, X-ray diffraction (XRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and scanning electron micrograph (SEM). Electronic absorption spectra of the complexes show that each macrocyclic unit of them has square-planar coordination geometry with a 5-6-5-6 chelate ring sequence. The polymer complexes as well as $[Cu(H_2L^5)]^{4+}$ are quite stable even in concentrated $HClO_4$ solutions. Synthesis and characterization of the polynuclear and mononuclear copper(II) complexes are reported.