• Title/Summary/Keyword: Metal bond

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A Study on the Influence of the Structural Characteristics of Cu/CeO2 Catalyst on the Low-Temperature Oxidation of Carbon Monoxide (Cu/CeO2 촉매의 구조적 특성이 일산화탄소 저온 산화반응에 미치는 영향 연구)

  • Kim, Min Su;Choi, Gyeong Ryun;Kim, Se Won;Hong, Sung Chang
    • Clean Technology
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    • v.26 no.4
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    • pp.286-292
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    • 2020
  • This study confirmed the effect of the Cu/CeO2-X catalyst on the CO oxidation activity at low temperature through the catalyst's structure and reaction characteristics. The catalyst was prepared by the wet impregnation method. Cu/CeO2_X catalysts were manufactured by loading Cu (active metal) using CeO2 (support) formed at different calcination temperatures (300-600 ℃). Manufactured Cu/CeO2_X catalysts were evaluated for the low-temperature activity of carbon monoxide. The Cu/CeO2_300 catalyst showed an activity of 90% at 125 ℃, but the activity gradually decreased as the calcination temperature of the CeO2-X and Cu/CeO2_600 catalysts showed an activity of 65% at 125 ℃. Raman, XRD, H2-TPR, and XPS analysis confirmed the physicochemical properties of the catalysts. Based on the XPS analysis, the lower the calcination temperature of the CeO2 was, the higher the unstable Ce3+ species (non-stoichiometric species) ratio became. The increased Ce3+ species formed a solid solution bond between Cu and CeO2-X, and it was confirmed by the change of the CeO2 peak in Raman analysis and the reduction peak of the solid solution structure in H2-TPR analysis. According to the result, the formation of the solid solution bond between Cu and Ce has been enhanced by the redox properties of the catalysts and by CO oxidation activity at low temperatures.

Potential Energy Surfaces for Ligand Exchange Reactions of Square Planar Diamagnetic PtY2L2 Complexes:Hydrogen Bond (PtY2L2···L') versus Apical (Y2L2Pt···L') Interaction

  • Park, Jong-Keun;Kim, Bong-Gon
    • Bulletin of the Korean Chemical Society
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    • v.27 no.9
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    • pp.1405-1417
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    • 2006
  • The geometrical structures, potential energy surfaces, and energetics for the ligand exchange reactions of tetracoordinated platinum $(PtY_2L_2\;:\;Y,\;L=Cl^-,\;OH^-,\;OH_2,\;NH_3)$ complexes in the ligand-solvent interaction systems were investigated using the ab initio Hartree-Fock (HF) and Density Functional Theory (DFT) methods. The potential energy surfaces for the ligand exchange reactions used for the conversions of $(PtCl_4\;+\;H_2O)^{^\ast_\ast}\;to\;[PtCl_3(H_2O)\;+\;Cl^-]$ and $[Pt(NH_3)_2Cl_2\;+\;H_2O]$$[Pt(NH_3)_2Cl_2\;+\;H_2O]$ to $[Pt(NH_3)_2Cl(H_2O)\;+\;Cl^-] $ were investigated in detail. For these two exchange reactions, the transition states $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime])^{^\ast_\ast} $ correspond to complexes such as $(PtCl_4{\cdot}{\cdot}{\cdot}H_2O)^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$, respectively. In the transition state, $([PtCl_4{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]]^{^\ast_\ast})$ have a kind of 6-membered $(Pt-Cl{\cdot}{\cdot}{\cdot}HOH{\cdot}{\cdot}{\cdot}Cl)$ and $(Pt-OH{\cdot}{\cdot}{\cdot}Cl{\cdot}{\cdot}{\cdot}HN)$ interactions, respectively, wherein a central Pt(II) metal directly combines with a leaving $Cl^-$ and an entering $H_2O$. Simultaneously, the entering $H_2O$ interacts with a leaving $Cl^-$. No vertical one metal-ligand interactions $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime]) $ are found at the axial positions of the square planar $(PtY_2L_2)$ complexes, which were formed via a vertically associative mechanism leading to $D_{3h}$ or $C_{2v}$-transition state symmetry. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes are also examined quantitatively. Schematic diagrams for the dissociation reactions of {PtCl4(H2O)n(n=2,4)} into {$PtCl_3(H_2O)_{(n-2)}\;+\;Cl^-(H_2O)_2$} and the binding energies {$PtCl_4(H_2O)_n$(n = 1-5)} of $PtCl_4$ with water molecules are drawn.

Synthesis, Structure and Electrical Properties of $Sr_1-_xY_xMnO_3$ System ($Sr_1-_xY_xMnO_3$의 합성 및 조성에 따른 결정구조와 전기적 성질변화)

  • Park, So Jeong;Kim, Seong Jin
    • Journal of the Korean Chemical Society
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    • v.38 no.11
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    • pp.785-791
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    • 1994
  • The $Sr_1-_xY_xMnO_3$ (x = 0.0∼1.0) system was synthesized using amorphous citrate process. The stability of various structures and the electronic transport properties of this system were investigated. X-ray diffraction study indicated that the $Sr_1-_xY_xMnO_3$ system has three different structures depending on composition, namely, 4L-hexagonal perovskite (when x is less than 0.3), pseudocubic perovskite (when x is 0.3∼0.7), and hexagonal nonperovskite (when x is larger than 0.7) structures. The structural changes and electronic properties were interpreted based on two factors, i.e., the size of cations and the oxidation state of manganese ion. When the concentration of Y substitution exceeds 30%, the Mn-Mn repulsive interaction dominates over intermetallic attraction, and thus structure changes to pseudocubic perovskite. In perovskite phase the unit cell dimensions increases with increasing $Mn^{3+}$ ions due to yttrium substitution. The band gap of $Sr_{0.9}Y_{0.1}MnO_3$ is greater than that of $Sr_{0.5}Y_{0.5}MnO_3$. The greater band gap of $Sr_{0.9}Y_{0.1}MnO_3$ indicates that the 4L-hexagonal structure is more stabilized than cubic perovskite due to the Mn-Mn bond.

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Experimental and numerical disbond localization analyses of a notched plate repaired with a CFRP patch

  • Abderahmane, Sahli;Mokhtar, Bouziane M.;Smail, Benbarek;Wayne, Steven F.;Zhang, Liang;Belabbes, Bachir Bouiadjra;Boualem, Serier
    • Structural Engineering and Mechanics
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    • v.63 no.3
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    • pp.361-370
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    • 2017
  • Through the use of finite element analysis and acoustic emission techniques we have evaluated the interfacial failure of a carbon fiber reinforced polymer (CFRP) repair patch on a notched aluminum substrate. The repair of cracks is a very common and widely used practice in the aeronautics field to extend the life of cracked sheet metal panels. The process consists of adhesively bonding a patch that encompasses the notched site to provide additional strength, thereby increasing life and avoiding costly replacements. The mechanical strength of the bonded joint relies mainly on the bonding of the adhesive to the plate and patch stiffness. Stress concentrations at crack tips promote disbonding of the composite patch from the substrate, consequently reducing the bonded area, which makes this a critical aspect of repair effectiveness. In this paper we examine patch disbonding by calculating the influence of notch tip stress on disbond area and verify computational results with acoustic emission (AE) measurements obtained from specimens subjected to uniaxial tension. The FE results showed that disbonding first occurs between the patch and the substrate close to free edge of the patch followed by failure around the tip of the notch, both highest stress regions. Experimental results revealed that cement adhesion at the aluminum interface was the limiting factor in patch performance. The patch did not appear to strengthen the aluminum substrate when measured by stress-strain due to early stage disbonding. Analysis of the AE signals provided insight to the disbond locations and progression at the metal-adhesive interface. Crack growth from the notch in the aluminum was not observed until the stress reached a critical level, an instant before final fracture, which was unaffected by the patch due to early stage disbonding. The FE model was further utilized to study the effects of patch fiber orientation and increased adhesive strength. The model revealed that the effectiveness of patch repairs is strongly dependent upon the combined interactions of adhesive bond strength and fiber orientation.

Response Mechanism of 5, 10, 15, 20-tetraphenyl(porphyrinato) Manganase(III) chloride-Based Ion-Selective Membranes (망간포르피린을 함유한 고분자형 이온선택성 막전극의 감응 메카니즘)

  • Hong, Young Ki;Kang, You Ra;Shin, Dae Ho;Shin, Doo Soon;Cha, Geun Sig;Nam, Hakhyun
    • Analytical Science and Technology
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    • v.9 no.3
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    • pp.270-278
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    • 1996
  • Response mechanism for the chloride-selective membrane doped with 5, 10, 15, 20-tetraphenyl(porphyrinato)manganase(III) chloride(Mn(TPP)Cl) in PVC/DOS matrix is proposed by examining the visible spectra of the corresponding optode membrane. The visible spectra of Mn(TPP)Cl-doped membrane placed in aqueous solution show that the chloride ligand is easily replaced with water molecule. When other halogen ions, such as $F^-$, $Br^-$ and $I^-$, are added to the sample solution, they replace the water ligand, exhibiting distinctive change in the Soret band of Mn(TPP). On the other hand, bulky anions, such as SCN and salicylate, do not form a bond with the central metal. These results suggests that the potentiometric response of Mn(TPP)-based membrane results either from the ligand exchange (water with halides) at the central metal or from the counter ion exchange (chlorides with bulky lipophilic anions) around the positively charged porphyrin molecule in membrane phase. It was also noted that both hydration enthalpies of anions and their binding constants to Mn(TPP) play critical role in determining the potentiometric selectivity pattern of the membrane.

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The Effect of Thermal Stability of Cu(I) Precursors on the Deposition in the Metal Organic Chemical Vapor Deposition (MOVCD에 있어서 구리(l)전구체들의 열적 안정성이 증착에 미치는 영향)

  • Park, Man-Young;Lee, Shi-Woo
    • Korean Journal of Materials Research
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    • v.8 no.4
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    • pp.345-353
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    • 1998
  • Metal organic chemical vapor deposition (MOCVD) of copper using three Cu( I ) precursors. (hfac)Cu (VTMS) (hfac= hexafluoroacetylacetonate, VTMS= vinyltrimethylsilane), (hfac)Cu(VTMOS) (VTMOS= vinyltri¬methoxysilane) and (hfac)Cu(A TMS) (A TMS= allyltrimethylsilane) was studied. The thermal stability and the gase¬ous phase reaction mechanism of Cu( I ) precursors were identified using $^1H$-, $^I3C$-NMR and Fourier transform infra¬red spectroscopy. It was found out that thermal stability of liquid phase (hfac)Cu(VTMS) and (hfac)Cu(VTMOS) were better than that of (hfac)Cu(A TMS) using FT - NMR. From in-situ FT - IR experiments, the disproportion reaction of Cu(hfac). the decomposition reaction of Cu(hfac), and cracking of free hfac ligand were observed. Also the effect of gaseous phase reaction on the deposition rates and film properties was investigated. The minimum temperature that deposition of copper films from (hfac)Cu(A TMS) was as low as 60$^{\circ}$C and such a low deposition temperature compared with those of other Cu( I ) precursors is believed to be related with weaken Cu- A TMS bond.

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Practicality and prospect of full-zirconia restoration (풀지르코니아 수복물의 실용성과 전망)

  • Hwang, Jung-Won
    • Journal of the Korean Academy of Esthetic Dentistry
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    • v.24 no.2
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    • pp.101-121
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    • 2015
  • Zirconia polycrystalline (Y-TZP) showed better mechanical properties and superior resistance to fracture than other conventional dental ceramics. Zirconia-based ceramics have been successfully introduced into the clinic to fabricate fixed dental prostheses (FDPs), along with a dental computer-aided/computer-aided manufacturing (CAD/CAM) system. It has been clinically available as an alternative to the metal framework for fixed dental prostheses (FDPs). The most frequent clinical complication with zirconia-based FDPs was chipping of the veneering porcelain that was affected by many factors. Another option was full-contour zirconia FDPs using high translucent zirconia. Full-contour zirconia FDPs has many clinical advantages but it caused concern about the wear of antagonist enamel, because the hardness of Y-TZP was over double that of porcelain. However, many articles demonstrates that highly polished zirconia yielded lower antagonist wear compared with porcelains. In this article (1) advantages of full zirconia restorations, (2) clinical applications of zirconia restorations, (3) abutment preparation, (4) surface finish of zirconia restoration and antagonist enamel wear, (5) bond of zirconia with resin-based luting agents, (6) communication in clinical & lab.procedures for full zirconia restorations are reviewed.

Hydroacylation of 1,5-Hexadiene through C-H Bond Activation (탄소-수소 결합 활성을 이용한 1,5-헥사디엔의 하이드로아실화반응 연구)

  • Jeon, Cheol Ho;Han, Jong Su;Kim, Seon Il
    • Journal of the Korean Chemical Society
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    • v.38 no.11
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    • pp.833-840
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    • 1994
  • 8-Quinolinecarboxaldehyde (1) reacted with 1,5-hexadiene (2) in THF under Wilkinson's catalyst(3) and $AgBF_4(8)$ to give a mixture of 8-quinolinyl 5-hexenyl ketone (4) and 8-quinolinyl 5-hexen-2-yl ketone (9) at initial reaction stage. The reason for the formation of the branched alkenyl ketone 9 is supposed to be that the vacant coordination site, generated from Wilkinson's catalyst and $AgBF_4(8)$, makes it possible to form the 5.5 membered ring metallacycle intermediate. The higher the concentration of $AgBF_4(8)$ was used, the greater the ratio of 9 to 4 was observed. Longer reaction time and high temperature induced isomerization of 9 and 4 to 10 and 5. Especially the high reaction temperature increased the possibility of cyclization of the 5-hexenyl metal intermediate to give 8-quinolinyl cyclopentylmethyl ketone (11).

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Production and Characterization of Keratinolytic Proteases by a Chicken Feather-Degrading Thermophilic Strain, Thermoactinomyces sp. YT06

  • Wang, Lin;Qian, Yuting;Cao, Yun;Huang, Ying;Chang, Zhizhou;Huang, Hongying
    • Journal of Microbiology and Biotechnology
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    • v.27 no.12
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    • pp.2190-2198
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    • 2017
  • Thermoactinomyces sp. strain YT06 was isolated from poultry compost and observed to degrade integral chicken feathers completely at $60^{\circ}C$, resulting in the formation of 3.24 mg/ml of free amino acids from 50 ml of culture containing 10 g/l chicken feathers. Strain YT06 could grow and secrete keratinase using feather as the only carbon and nitrogen sources without other supplement, but complementation of 10 g/l sucrose and 4 g/l $NaNO_3$ increased the production of the keratinolytic enzyme. The maximum protease activity obtained was 110 U/ml and for keratinase was 42 U/ml. The keratinase maintained active status over a broad pH (pH 8-11) and temperature ($60-75^{\circ}C$). It was inhibited by serine protease inhibitors and most metal ions; however, it could be stimulated by $Mn^{2+}$ and the surfactant Tween-20. A reductive agent (${\beta}$-mercaptoethanol) was observed to cleave the disulfide bond of keratin and improve the access of the enzyme to the keratinaceous substrate. Zymogram analysis showed that strain YT06 primarily secreted keratinase with a molecular mass of approximately 35 kDa. The active band was assessed by MALDI-TOF mass spectrometry and was observed to be completely identical to an alkaline serine protease from Thermoactinomyces sp. Gus2-1. Thermoactinomyces sp. strain YT06 shows great potential as a novel candidate in enzymatic processing of hard-to-degrade proteins into high-value products, such as keratinous wastes.

Adsorption Characteristics of Chromium Ion at Low Concentration Using Oxyfluorinated Activated Carbon Fibers (함산소불화 활성탄소섬유를 이용한 저농도 크롬이온의 흡착 특성)

  • Kim, Min-Ji;Jung, Min-Jung;Choi, Suk Soon;Lee, Young-Seak
    • Applied Chemistry for Engineering
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    • v.26 no.4
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    • pp.432-438
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    • 2015
  • In this work, activated carbon fibers (ACFs) were oxyfluorinated and their adsorption ability for the low concentration of hexavalent chromium in an aqueous solution was investigated. The pore structure and surface properties of ACFs were examined by BET and X-ray Photoelectron Spectroscopy (XPS), respectively. Due to the oxyfluorination treatment, the content of (C-O) bond on ACFs surface which influences the adsorption capacity for heavy metal ions increased largely, resulting that $Cr^{6+}$ adsorption equilibrium reached quickly within 10 min. In addition, the maximum removal efficiency at the initial $Cr^{6+}$ concentration of 20 ppm was observed, which is a 100% improvement compared to that of non-treated ACFs. These results suggest that the oxyfluorination of ACFs can be applied as a good surface treatment for the effective adsorption of the low concentration of $Cr^{6+}$.