• Title/Summary/Keyword: Chemical potential diagrams

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Variation of Chemical Composition and Relative Movement of Major Elements on the Weathering of Hwang-Dung Granite (황등화강암(黃登花崗岩)의 풍화(風化)에 따른 화학조성(化學組成)의 변화(變化)와 주요원소(主要元素)의 상대적(相對的) 이동(移動))

  • Nam, Ki Sang
    • Economic and Environmental Geology
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    • v.6 no.2
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    • pp.115-122
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    • 1973
  • The writer intended to observe the relative mobility of elements in weathering process of granite, on the outskirts of IRI city at Jeollabukdo KOREA. He analysed fresh granites and weathered ones of Hwang-Dung granite mass and had following conclusions by the triangular diagrams and the oxidized variation diagrams of the analysis. 1) The increasing phenomena of $H_2O$ observed clearly in early and late stage of weathering processes. 2) Granites was weathered by physical weathering in early stage, and it was weathered by chemical weathering in late stage. 3) The ratio of $FeO/Fe_2O_3$, FeO/MgO, and $SiO_2/Al_2O_3$ decreased uniformly from early to late stage of weathering processes. 4) It was proved that weathering potential of granite was larger than that of basaltic rock. 5) The order of mobility in major elements was Ca, Na, K>Si>Mg>Fe, Al.

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Variation of chemical Composition and Relative migration of major Elements in the weathering of Baeg-Gu Granite (백구화강암(白鷗花崗巖)의 풍화(風化)에 따른 화학조성(化學組成)의 변화(變化)와 주요원소(主要元素)의 상대적(相對的) 이동(移動))

  • Nam, Ki Sang
    • Economic and Environmental Geology
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    • v.7 no.4
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    • pp.175-184
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    • 1974
  • Weathering of granites has a great geochemical significance, because of their chemical stability near the earth surface which is more pronounced than in most other rocks. The author intended to observe the relative mobility of major elements in weathering process of the granite, distributed on outskirts of Iri city Jeolla-bugdo, Korea. He analysed fresh granites and weathered ones from the Baeg-Gu granite mass and obtained following conclusions in the triangle-diagrams and the oxidized variation diagrams of the samples. 1) The increasing phenomena of $H_2O$ was observed clearly in early and late stages of weathering process. 2) The early stage of weathering is commenced by physical weathering and followed by chemical weathering. 3) The ratio of $FeO/Fe_2O_3$, FeO/MgO, and $SiO_2/Al_2O_3$ decreased uniformly from early to late stage of weathering processes. 4) It was proved that weathering potential of granite was larger than that of basaltic rock. 5) The order of mobility in major elements was Ca, Na and K

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Geometries and Energies of S$_N$2 Transition States$^\dag$

  • Lee, Ik-Choon;Kim, Chan-Kyung;Song, Chang-Hyun
    • Bulletin of the Korean Chemical Society
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    • v.7 no.5
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    • pp.391-395
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    • 1986
  • MNDO calculations were carried out to determine reactant complexes and transition states of the $S_N2$ reactions of $CH_3X\;+\;Y^-\;{\to}\;CH_3Y\;+\;X^-$ where X = F, Cl, CN and Y = CN, OH, F, Cl. The leaving group ability was found to vary inversely with the activation barrier, which in turn was mainly ascribable to the deformation energies accompanied with bond stretching of C-X bond and inversion of $CH_3$ group. The nucleophilicity was shown to be in the order $Cl^->F^->OH^->CN^-$ but the effect on the activation barrier was relatively small compared with that of the leaving group. The bond breaking and bond formation indices and energy decomposition analysis showed that the TS for the reaction of $CH_3$Cl occurs in the early stage of the reaction coordinate relative to that of $CH_3$F. It has been shown that the potential energy surface (PES) diagrams approach can only accommodate thermodynamic effects but fails to correlate intrinsic kinetic effects on the TS structure.

Electrochemistry Characterization of Metal Using Corrosion Inhibitors Containing Amide Functional Group (아미드 작용기를 가진 부식억제제를 사용한 금속의 전기화학적 특성)

  • Park, Keun-Ho
    • Journal of the Korean Applied Science and Technology
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    • v.28 no.1
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    • pp.48-56
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    • 2011
  • In this study, we investigated the C-V diagrams and metal surface related to the electrochemistry characterization of metal(nickel, SUS-304). We determined electrochemical measurement by using cyclic voltammetry with a three-electrode system. A measuring range was reduced from initial potential to -1350mV, continuously oxidized to 1650 mV and measured to the initial point. The scan rate were 50, 100, 150, 200 and 250 mV/s. As a result, the C-V characterization of metal using N,N-dimethylacetamide and N,N-dimethylformamide inhibitors appeared irreversible process caused by the oxidation current from the cyclic voltammogram. After adding organic corrosion inhibitors, adsorption film constituted, and the passive phenomena happened. According to the results by cyclic voltammetry method, it was revealed that the addition of inhibitors containing amide functional group enhances the corrosion resistance properties.

Electrochemistry Characterization of Nickel Using Ethanolamine Compound Additives (에탄올아민화합물 첨가에 대한 니켈의 전기화학적 특성)

  • Park, Keun-Ho
    • Journal of the Korean Applied Science and Technology
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    • v.27 no.4
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    • pp.531-538
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    • 2010
  • The electrochemistry characterization of metal is important in many industrial applications. In this study, we investigated the C-V diagrams related to the electrochemistry characterization of nickel. We determined electrochemical measurement by using cyclic voltammetry with a three electrode system. A measuring range was reduced from initial potential to -1350mV, continuously oxidized to 1650mV and measured to the initial point. The scan rate were 100, 150, 200 and 200mV/s. As a result, the C-V characterization of nickel using ethanolamine and ethylethanolamine inhibitor appeared irreversible process caused by the oxidation current from the cyclic voltammogram. After adding ethanolamine compound additive, adsorption film constituted, and the passive phenomena happened. According to the results by cyclic voltammetry method, it was revealed that the effect of the electrochemistry characterization of nickel depends on ethanolamine structure interaction to adsorption complex.

Energy Band Schemes of Organic Electroluminescence Devices Using Lanthanide Metal Complexes (란탄계 금속 착화합물을 이용한 유기 전기 발광 소자의 에너지 밴드 구조의 연구)

  • Pyo, S.W.;Lee, J.H.;Lee, H.S.;Lee, S.H.;Kim, Y.K.;Kim, J.S.
    • Proceedings of the KIEE Conference
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    • 1999.07d
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    • pp.1735-1737
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    • 1999
  • In this study, several lanthanide complexes such as Eu$(TTA)_3$(Phen). Tb$(ACAC)_3$(Cl-Phen) were synthesized and the white-light electroluminescence (EL) characteristics of their thin films were investigated. where the devices having structures of anode/TPD/Tb$(ACAC)_3$(Cl-Phen)/Eu$(TTA)_3$(Phen)/$Alq_3$ or $Bebq_2$/ cathode and the low work function metal alloy such as Li:Al was used as the electron injecting electrode (cathode). Details on the white-light-emitting characteristics of these device structures were explained by the energy band diagrams of various materials used in these structures, where the energy levels of new materials such as ionization potential (IP) and electron affinity (EA) were measured by cyclic voltametric method.

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Materials Chemical Point of View for Durability Issues in Solid Oxide Fuel Cells

  • Yokokawa, Harumi;Horita, Teruhisa;Yamaji, Katsuhiko;Kishimoto, Haruo;Brito, M.E.
    • Journal of the Korean Ceramic Society
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    • v.47 no.1
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    • pp.26-38
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    • 2010
  • Degradation in Solid Oxide Fuel Cell performance can be ascribed to the following fundamental processes from the materials chemical point of view; that is, diffusion in solids and reaction with gaseous impurities. For SOFC materials, diffusion in solids is usually slow in operation temperatures $800\sim1000^{\circ}C$. Even at $800^{\circ}C$, however, a few processes are rapid enough to lead to some degradations; namely, Sr diffusion in doped ceria, cation diffusion in cathode materials, diffusion related with metal corrosion, and sintering of nickel anodes. For gaseous impurities, chromium containing vapors are important to know how the chemical stability of cathode materials is related with degradation of performance. For LSM as the most stable cathode among the perovskite-type cathodes, electrochemical reduction reaction of $CrO_3$(g) at the electrochemically active sites is crucial, whereas the rest of the cathodes have the $SrCrO_4$ formation at the point where cathodes meet with the gases, leading to rather complicated processes to the degradations, depending on the amount and distribution of reacted Cr component. These features can be easily generalized to other impurities in air or to the reaction of nickel anodes with gaseous impurities in anode atmosphere.

A Study on the Inhibition Effect of Metal Corrosion Using Organic Compound Containing an Amine Group (아민기를 가진 유기물을 사용한 금속의 부식억제효과)

  • Park, Keun-Ho
    • Journal of the Korean Applied Science and Technology
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    • v.27 no.3
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    • pp.361-369
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    • 2010
  • A study on the corrosion inhibition of metals is important in many industrial applications (carbon steel, copper, aluminum, SUS 304, nickel). In this study, we investigated the C-V diagrams related to the surface corrosion of metals. It was observed through the SEM that the surface corrosion state of the various metals had the corrosion potential by the scan rate and the organic inhibitor containing an amine group. We determined to measure cyclic voltammetry using the three-electrode system. The measurement of oxidation and reduction ranged from -1350mV to 1650mV. The scan rate was 50, 100, 150, and 200mV/s. It turned out that the C-V characterization of SUS 304 was irreversible process caused by the oxidation current from the cyclic voltammogram. After adding organic inhibitors, the adsorption film was constituted, and the passive phenomena happened. As a result, it was revealed that the inhibition effect of metal corrosion depends on the molecular interaction, and the interaction has influence on the adsorption complex.

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.

Improvement of Solubility of Atorvastatin Calcium Using Self-Microemulsion Drug Delivery System(SMEDDS) (자가미세유화를 통한 아토르바스타틴 칼슘의 난용성 개선)

  • Lee, Jun-Hee;Choi, Myoung-Kyu;Kim, Yun-Tae;Kim, Myoung-Jin;Oh, Jae-Min;Park, Jung-Soo;Mo, Jong-Hyun;Kim, Moon-Suk;Khang, Gil-Son;Lee, Hai-Bang
    • Journal of Pharmaceutical Investigation
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    • v.37 no.6
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    • pp.339-347
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    • 2007
  • SMEDDS is mixture of oils, surfactants, and cosurfactants, which are emulsified in aqueous media under conditions of gentle agitation and digestive motility that would be encountered in the gastro-intestinal(GI) tract. The main purpose of this work is to prepare self-microemulsifying drug delivery system(SMEDDS) for oral bioavailability enhancement of a poorly water soluble drug, atorvastatin calcium. Solubility of atorvastatin calcium was determined in various vehicles. Pseudo-ternary phase diagrams were constructed to identity the efficient self-emulsification region and particle size distributions of the resultant micro emulsions were determined using a laser diffraction sizer. Optimized formulations for in vitro dissolution and bioavailability assessment were $Capryol^{(R)}$ 90(50%), Tetraglycol(16%), and $Cremophor^{(R)}$ EL(32%). The release rate of atorvastatin from SMEDDS was significantly higher than the conventional tablet ($Lipitor^{(R)}$), 2-fold. Our studies illustrated the potential use of SMEDDS for the delivery of hydrophobic compounds, such as atorvastatin calcium by the oral route.