• 제목/요약/키워드: H atoms

검색결과 651건 처리시간 0.027초

Synthesis, Characterization and Property Studies on a Dinuclear Copper(II) Complex with Dipyridine Derivate and Acetylacetone

  • Zhao, Pu Su;Guo, Zhi Yan;Sui, Jing;Wang, Jing;Jian, Fang Fang
    • Bulletin of the Korean Chemical Society
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    • 제32권1호
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    • pp.49-52
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    • 2011
  • A dinuclear copper(II) complex of [$Cu_2(aceace)_4$(dipyph)] [aceace = acetylacetone, dipyph = 1,4-di(4-pyridylethene-2-yl-)benzene] has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. It crystallizes in the monoclinic system, space group P21/c, with lattice parameters a = 7.9584(16) $\AA$, b = 18.594(4) $\AA$, c = 15.063(4) $\AA$ $\beta=120.97(2)^o$ and $M_r$ = 807.85 ($C_{40}H_{44}Cu_2N_2O_8$), Z = 2. Each of the $Cu^{2+}$ ion adopts a square pyramid geometry and coordinates with four oxygen atoms from two aceace ligands and one nitrogen atom from dipyph bidentate ligand. Magnetic measurement shows that the Weiss constant and Curie constant for the title compound are -0.22 K and 0.1154 emu K/mol, respectively. Thermal stability data indicate that the title complex undergoes two steps decomposition and the residue is $Cu_2O_4$. In the potential range of -1.5 ~ 0.8 V, the title complex represents an irreversible electrochemical process.

Expanded Graphite Negative Electrode for Lithium-ion Batteries

  • Yoo, Hyun-D.;Ryu, Ji-Heon;Park, Seong-Ho;Park, Yu-Won;Ka, Bok-H.;Oh, Seung-M.
    • Journal of Electrochemical Science and Technology
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    • 제2권1호
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    • pp.45-50
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    • 2011
  • A series of expanded graphites is prepared from graphite oxide by changing the heat-treatment temperature, and their lithiation/de-lithiation mechanism and rate performance are examined. A featureless sloping profile is observed in their charge-discharge voltage and dilatometry profiles, which is contrasted by the stepwise plateau-like profiles observed with the pristine graphite. With an increase in the heat-treatment temperature from $250^{\circ}C$ to $850^{\circ}C$, the interlayer distance becomes smaller whereas the electric conductivity becomes larger, both of which are resulted from a removal of foreign atoms (mainly oxygen) from the interlayer gaps. The expanded graphite that is prepared by a heat-treatment at $450^{\circ}C$ delivers the best rate performance, which seems to be a trade-off between the $Li^+$ ion diffusivity that is affected by the interlayer distance and electrical conductivity.

Confined Pt and CoFe2O4 Nanoparticles in a Mesoporous Core/Shell Silica Microsphere and Their Catalytic Activity

  • Kang, Dong-Hyeon;Eum, Min-Sik;Lee, Byeong-No;Bae, Tae-Sung;Lee, Kyu-Reon;Lim, Heung-Bin;Hur, Nam-Hwi
    • Bulletin of the Korean Chemical Society
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    • 제32권10호
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    • pp.3712-3719
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    • 2011
  • Confined Pt and $CoFe_2O_4$ nanoparticles (NPs) in a mesoporous core/shell silica microsphere, Pt-$CoFe_2O_4$@meso-$SiO_2$, were prepared using a bi-functional linker molecule. A large number of Pt NPs in Pt-$CoFe_2O_4$@meso-$SiO_2$, ranging from 5 to 8 nm, are embedded into the shell and some of them are in close contact with $CoFe_2O_4$ NPs. The hydrogenation of cyclohexene over the Pt-$CoFe_2O_4$@meso-$SiO_2$ microsphere at $25^{\circ}C$ and 1 atm of $H_2$ yields cyclohexane as a major product. In addition, it gives oxygenated products. Control experiments with $^{18}O$-labelled water and acetone suggest that surface-bound oxygen atoms in $CoFe_2O_4$ are associated with the formation of the oxygenated products. This oxidation reaction is operative only if $CoFe_2O_4$ and Pt NPs are in close contact. The Pt-$CoFe_2O_4$@meso-$SiO_2$ catalyst is separated simply by a magnet, which can be re-used without affecting the catalytic efficiency.

The use of artificial neural networks in predicting ASR of concrete containing nano-silica

  • Tabatabaei, Ramin;Sanjaria, Hamid Reza;Shamsadini, Mohsen
    • Computers and Concrete
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    • 제13권6호
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    • pp.739-748
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    • 2014
  • In this article, by using experimental studies and artificial neural network has been tried to investigate the use of nano-silica as concrete admixture to reduce alkali-silica reaction. If there are reactive aggregates and alkali of cement with enough moisture in concrete, a gel will be formed. Then with high reactivity between alkali of cement and existence of silica in aggregates, this gel will expand by absorption of water, and causes expansive pressure and cracks be formed. At the time passes, this gel will reduce both durability and strength of the concrete. By reducing the size of silicate to nano, specific surface area of particles and number of atoms on the surface will be increased, which causes more pozzolanic activity of them. Nano-silica can react with calcium hydroxide ($Ca(OH)_2$) and produces C-S-H gel. In this study, accelerated mortar bar specimens according to ASTM C 1260 and ASTM C 1567, with different mix proportions were prepared using aggregates of Kerman, such as: none admixture and plasticizer, different proportions of nano-silica separately. By opening the moulds after 24 hour and curing in water at $80^{\circ}C$ for 24 hour, then curing in (1N NaOH) at $80^{\circ}C$ for 14 days, length expansion of mortar bars were measured and compared. It was noted that, the lowest length expansion of a specimens shows the best proportion of admixture based on alkali-silica reactivity. Then, prediction of alkali-silica reaction of concrete has been investigated by using artificial neural network. In this study the backpropagation network has been used and compared with different algorithms to train network. Finally, the best amount of nano silica for adding to mix proportion, also the best algorithm and number of neurons in hidden layer of artificial neural network have been offered.

루비듐 5S1/2-5P3/2-4D3/2, 5/2 전이선에서의 이중공명 광펌핑 분광 (Bouble Resonance Optical Pumping in the Transition 5S1/2-5P3/2-4D3/2, 5/2 of Rb Atoms)

  • 문한섭;이림;김중복
    • 한국광학회지
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    • 제16권4호
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    • pp.297-303
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    • 2005
  • 우리는 $^{87}Rb$ 원자의 $5S_{1/2}-5P_{3/2}-4D_{3/2,\;5/2}$ 전이선을 이용하여 레이저의 세기, 편광조합, 그리고 정렬상태에 따른 이중공명광펌핑(double resonance optical pumping; DROP) 스펙트럼을 조사하였다. $5P_{3/2}-4D_{5/2}$ 전이선에서 레이저의 세기에 따른 초미세 구조간의 DROP 신호의 변화가 크게 나타났고, 그 원인은 순환전이선의 낮은 광펌핑 효율 때문이었다. 두 레이저의 편광조합을 달리 했을 때 이중공명의 전이율이 변하고, 이러한 효과가DROP스펙트럼의 변화로 나타났다. 또한 두 레이저가 같은 방향으로 진행하는 경우와 반대 방향으로 진행하는 경우를 비교했을 때, 스펙트럼의 선폭은 각각 12.2 MHz 와 6.9 MHz로 측정되었다.

Far Ultraviolet Observations of the Spica Nebula and the Interaction Zone

  • 최연주;박재우;;민경욱;선광일;조영수
    • 천문학회보
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    • 제37권2호
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    • pp.99.1-99.1
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    • 2012
  • We report the results of our analysis of far ultraviolet (FUV) observations made for the broad region around the ${\alpha}$ Vir (Spica) including the interaction zone of the Loop I and the Local Bubble. We employed the datasets of the GALEX and the FIMS, which made observations at similar FUV wavelengths. First, we noted that the GALEX image was enhanced in the southern region where the interaction zone exists. We attribute this enhanced FUV emission to dust scattering of the stellar photons, mostly from the background field stars with small contributions from the central star Spica. While the region is optically thin in general, the FUV intensity did not correlate well with the dust extinction level, indicating that the local radiation field has significant fluctuations. On the other hand, the GALEX FUV intensity well with the $H{\alpha}$ intensity as well as the dust extinction level in the northern part. In fact, the neutral hydrogen column density correlated very well with the dust extinction level throughout the whole region in consideration. The relationship between the neutral hydrogen column density and the color excess was estimated to be ${\sim}7{\times}10^{21}atoms\;cm^{-2}$, which is a little higher than the previous observations made for a diffuse interstellar medium. The spectral analyses of the FIMS observations showed the enhanced C IV emission throughout the whole region, indicating that the C IV emission arises by the interaction of the hot gases with the shell boundaries. A simple model showed that a large portion of the C IV emission comes from the Loop I side of the interaction zone, compared to the Local Bubble side. The FIMS spectrum also showed indications of the molecular hydrogen fluorescence lines for the interaction zone.

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DV-Xα분자궤도법을 이용한 Zn alloy의 기계적 성질 예측 (A study on the prediction of the mechanical properties of Zinc alloys using DV-Xα Molecular Orbital Method)

  • 나혜성;공종판;김양수;강정윤
    • 한국재료학회지
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    • 제17권5호
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    • pp.250-255
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    • 2007
  • The alloying effects on the electronic structures of Zinc are investigated using the relativistic $DV-X{\alpha}molecular$ orbital method in order to obtain useful information for alloy design. A new parameter which is the d obital energy level(Md) and the bonder order(Bo) of alloying elements in Zinc was introduced and used for prediction of the mechanical properties. The Md correlated with the atomic radius and the electronegativity of elements. The Bo is a measure of the strength of the covalent bond between M and X atoms. First-principles calculations of electronic structures were performed with a series of models composed of a MZn18 cluster and the electronic states were calculated by the discrete variational- $X{\alpha}method$ by using the program code SCAT. The central Zinc atom(M) in the cluster was replaced by various alloying elements. In this study energy level structures of pure Zinc and alloyed Zinc were calculated. From calculated results of energy level structures in MZn18 cluster, We found Md and Bo values for various elements of Zn. In this work, Md and Bo values correlated to the tensile strength for the Zn. These results will give some guide to design of zinc based alloys for high temperature applications and it is possible the excellent alloys design.

결합광 세기에 따른 Rb 원자의 사다리형 전자기 유도 투과 (Coupling Intensity Effects in Ladder-type Electromagnetically Induced Transparency of Rb atoms)

  • 문한섭;이림;김중복
    • 한국광학회지
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    • 제16권1호
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    • pp.1-6
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    • 2005
  • 우리는 Rb원자의 5S$_{1}$2-/5P$_{3}$2-/5D$_{5}$2/ 전이선에서 조사광과 곁합광의 편광조합 그리고 결합광 세기에 따른 사다리형 전자기 유도 투과(EIT) 현상을 조사하였다. 우리는 5D$_{5}$2/ 전이선에서 초미세구조를 가진 사다리형 EIT 스펙트럼을 얻었고, EIT 스펙트럼의 최소 선폭은 6.5 MHz로 측정되었다. 우리는 EIT 초미세구조의 상대적인 크기가 레이저의 편광조합 뿐만 아니라 결합광의 세기에 따라서 변하는 것을 실험적으로 관측하였고, 결합광의 세기에 따라 신호의 크기가 달라지는 이유는 광의 세기에 대하여 원자계가 비선형적으로 상호작용하기 때문이라는 사식을 밝혔다.

Crystal and Molecular Structure of Methyl 12-(3-bromophenyl)-9-[(4-methylbenzene)sulfonyl]-22-oxo-13,21-dioxa-9-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15(20),16,18-heptaene-11-carboxylate

  • Kothandan, Gugan;Ganapathy, Jagadeesan;Damodharan, Kannan;Sanmargam, Aravindhan
    • 통합자연과학논문집
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    • 제7권2호
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    • pp.92-102
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    • 2014
  • The crystal structure of the title compounds with both coumarin and sulfonamide moieties were examined. These two groups have very special for their pharmaceutical and medicinal properties have been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group C2/c with unit cell dimension a = 28.633(3) ${\AA}$, b= 9.3215(7) ${\AA}$ and c= 24.590(2) ${\AA}$ [alpha & gamma=$90^{\circ}$ beta= $115.976(3)^{\circ}$]. In the structure The S1 atom shows a distorted tetrahedral geometry, with O1-S1-O2 [119.74 $(2)^{\circ}$] and N1-S1-C5 [$105.57(1)^{\circ}$] angles deviating from ideal tetrahedral values are attributed to the Thrope-Ingold effect. The sum of bond angles around N1 ($316.2(1)^{\circ}$) indicates that N1 is in sp2 hybridization. The Pyridine ring adopts boat conformation and pyran rings adopt a sofa conformation. The carboxylate group of atoms were disordered over two positions with site occupancy factors 0.598 (9):0.402 (9). Crystal structure and packing is stabilized by $C-H{\ldots}O$ intra and inter molecular hydrogen bond interactions.

연료전지를 위한 개인용 개질기 (A Personal Reformer(PR) for your Fuel cell system)

  • 김현영
    • 한국전기화학회:학술대회논문집
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    • 한국전기화학회 2004년도 수소연료전지공동심포지움 2004논문집
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    • pp.103-108
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    • 2004
  • The present paper relates to an apparatus in which all carbonaceous material such as coal, oil, plastics and any substance having carbon atoms as part of its constituents are reformed(gasified) into syngas at temperature above $1,200^{\circ}C$(KR patent No.0391121, and PCT/KR2001/01717 and PCT/KR2004/001020). It comprises a single-stage reforming reactor without catalyst and a syngas burner as shown in Fig.2. syngas is combusted with $O_2$ gas in the syngas bunter to produce $M_2O$ and $CO_2$ gas with exothermic heat. Reaction products are introduced into the reforming reactor, reaction heat from syngas burner elevate the temperature of reactor above $1,200^{\circ}C$, and reaction products reduce carbonaceous material down to CO and $H_2$ gases. Reactants and heat necessary for the reaction are provided through the syngas burner only, Neither $O_2$ gas nor steam are injected into the reforming reactor. Reformer is made of ceramic inner lining and sst outer casing. Multiple syngas burners may be connected to the reforming reactor in order to increase the syngas output, and a portion of the product syngas is recycled into syngas burner. The present reformer as shown in Fig.2 is suitable to gasify carbonaceous wastes without secondary pollutants formed from oxidation. Further, it can be miniaturized to accompany a fuel cell system as shown in Fig.3 The output syngas may be used to drive a fuel cell and a portion of electrical power generated in a fuel cell is used to heat a compact reformer up to $1,200^{\circ}C$ so that gas/liquid fossil fuel can efficiently reformed into syngas. The fuel cell serves as syngas burner in Fig.2. The reformation reaction is sustained through recycling a portion of product syngas into a fuel cell and using a portion of electric power generated to heat the reformer for continuous operation. Such reforming reactor may be miniaturized into a size of PC, then you have a Personal Reformer(PR).

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