• Title/Summary/Keyword: Chemical structure analysis

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Study of the Resonance Structures of the Preionizing Spectrum of Molecular Hydrogen by Phase-shifted Multichannel Quantum Defect Theory

  • Lee, Chun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.809-817
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    • 2012
  • The resonance structure of the preionization spectrum of $H_2$ in the region immediately above its ionization threshold, ($^2{\sum}_{g}^{+}$, $\nu^+=0$, $N^+=0$) converging toward its rotationally excited ($\nu^+=0$, $N^+=2$) limit, is complicated due to perturbation by the vibrationally excited levels $7_{p\pi}\;v=1$ and $57_{p\pi}\;v=2$. The spectra of interlopers are separated from the rotationally preionizing Rydberg series to allow analysis of this complex resonance structure. Although only two vibrationally excited levels perturb the rotational preionization spectrum, at least 6 interloper Rydberg series participate in the complex spectrum over most of its energy range and more interloper series participate at a narrow range around $124500cm^{-1}$ in the spectrum. To allow handling of an arbitrary number of interloper series, MATLAB$^{(R)}$'s symbolic operation is used to perform on-the-fly formulation.

Effects of Hot Water on the Aging of URD Power Cables (지중 배편케이블의 열화에 미치는 온수의 영향)

  • 한재홍;송일근;김주용;이병성;정종욱
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.15 no.7
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    • pp.609-614
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    • 2002
  • In this study, we investigated the effects of hot water on the aging of URD power cables due to the hot water ingress to power distribution lines. Hot water contacted and non-contacted cables extracted from 2 distribution lines were characterized by the measurement of oxidation induction time(OIT) and chemical structure. In OIT measurement, hot water contacted cables showed the shorter OIT than non-contacted ones. Especially, hot water contacted insulation layer near insulation shield showed the shortest OIT. In chemical structure analysis, the antioxidant content was decreased and the acid concentration was increased by hot water ingress. From this results, it can be concluded that the hot water ingress to power cable may be accelerate the aging by means of antioxidant consumption.

A Theoretical Analysis on Volatile Matter Release from Different Coals Using CPD Model During a Coal Gasification (CPD 모델을 활용한 석탄 가스화 과정 중 탄종에 따른 휘발분 배출에 관한 이론해석연구)

  • Kim, Ryang-Gyoon;Lee, Byoung-Hwa;Jeon, Chung-Hwan;Chang, Young-June;Song, Ju-Hun
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.33 no.12
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    • pp.1000-1006
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    • 2009
  • Integrated Coal Gasification Combined Cycle (IGCC) power plants have been developed to reduce carbon dioxide emissions and to increase the efficiency of electricity generation. A devolatilization process of entrained coal gasification is predicted by CPD model which could describe the devolatilization behavior of rapidly heated coal based on the chemical structure of the coal. This paper is intended to compare the mass release behavior of char, tar and gas(CO, $CO_2,\;H_2O,\;CH_4$) for three different coals. The influence of coal structure on gas evolution is examined over the pressure range of 10${\sim}$30atm.

Structural Arrangements and Bonding Analysis of MgB2C2

  • Kang, Dae-Bok
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2565-2570
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    • 2010
  • The orthorhombic $MgB_2C_2$ structure contains well-separated parallel graphite-like $B_2C_2^{2-}$ layers which extend infinitely in two dimensions. Three possible ways to distribute B and C atoms in the hexagonal sublattice sites are adopted. Band structures for the hypothetical distribution patterns are examined to assess the electronic stability of these phases and to account for the observed arrangement by means of extended Huckel tight-binding calculations. The preferred choice is the layer with B and C alternating strictly so that B is nearest neighbor to C and vice versa. A rationale for this is given. Due to the alternation of B and C within the honeycomb layers, $MgB_2C_2$ is a band insulator, which through partial substitution of Mg with Li, is predicted to turn metallic with holes in the $\sigma$ bands at the Fermi level.

Synthesis, Characterization and Biological Activities of Novel (E)-3-(1-(Alkyloxyamino)ethylidene)-1-alkylpyrrolidine-2,4-dione Derivatives

  • Zhu, Zhao-Yong;Shi, Qing-Ming;Han, Bao-Feng;Wang, Xian-Feng;Qiang, Sheng;Yang, Chun-Long
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2467-2472
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    • 2010
  • Twenty novel tetramic acid derivatives (E)-3-(1-(alkyloxyamino)ethylidene)-1-alkylpyrrolidine-2,4-diones were synthesized by the reaction of 3-(1-hydroxyethylidene)pyrrolidine-2,4-diones with O-alkyl hydroxylamines. The title compounds were confirmed by IR, $^1H$ NMR, MS and elemental analysis. The structure of compound 6r was further verified by X-ray diffraction crystallography. The bioassays showed that most of the title compounds exhibited noticeable herbicidal and fungicidal activities.

Isolation and Characterization of a Water-Soluble Polysaccharide from the Mycelia of Solid Cultured Phellinus linteus

  • Chung, Ha-Yull;Kim, Tae-Wook
    • Food Science and Biotechnology
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    • v.14 no.6
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    • pp.783-787
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    • 2005
  • Fraction (PMEx-AH-${\beta}$) of water-soluble polysaccharide, showing stimulating activity against macrophages, was isolated from mycelia of solid cultured Phellinus linteus by hot-water extraction, ethanol precipitation, and chromatography. Chemical characteristics of PMEx-AH-${\beta}$ were as follows: carbohydrate content, 71%; monosaccharide composition, Man:Glu:Gal (9:64:27); molecular weight, $1-7{\times}10^4$; uronic acid content, 6.8%. Fundamental structure of PMEx-AH-${\beta}$ is deduced as ${\beta}$-($1{$\rightarrow}6$)-D-glucan with ${\beta}$-($1{\rightarow}3$)-D-glucosidic side chains based on methylation analysis.

Fluid-Structure Interaction Modeling and Simulation of CMP Process for Semiconductor Manufacturing

  • Sung, In-Ha;Yang, Woo-Yul;Kwark, Ha-Slomi;Yeo, Chang-Dong
    • Transactions of the Society of Information Storage Systems
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    • v.7 no.2
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    • pp.60-64
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    • 2011
  • Chemical mechanical planarization is one of the core processes in fabrication of semiconductors, which are increasingly used for information storage devices like solid state drives. For higher data capacity in storage devices, CMP process is required to show ultimate precision and accuracy. In this work, 2-dimensional finite element models were developed to investigate the effects of the slurry particle impact on microscratch generation and the phenomena generated at pad-particle-wafer contact interface. The results revealed that no plastic deformation and corresponding material removal could be generated by simple impact of slurry particles under real CMP conditions. From the results of finite element simulations, it could be concluded that the pad-particle mixture formed in CMP process would be one of major factors leading to microscratch generation.

Structural Transcription of Organogels to Mesoporous Silicas: A Chain-length Dependent Morphology and Pore Texture

  • Huang, Yaqun
    • Bulletin of the Korean Chemical Society
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    • v.33 no.11
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    • pp.3711-3718
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    • 2012
  • Here, we report a chain-length dependent morphology and pore structure tailing of mesoporous silica templated from organogels, which is formed by primary alkylamine and ethylene glycol at room temperature. As the chain length of alkylamine changes from 12 to 18, the resulted materials exhibit a morphology change from layers to spheres and platelets, respectively. SEM and TEM observation revealed that these shapes appear to be inherited from their parent organogels. Further pore structure characterization by nitrogen sorption analysis demonstrates that all the resulted silicas exhibit typical IV isotherms indicative of uniform mesopores, and their pore sizes are dependent on the chain length of alkylamine used.

Synthesis, Characterization and Structure of DBU-hydrobromide-perbromide: A Novel Oxidizing Agent for Selective Oxidation of Alcohols to Carbonyl Compounds

  • Bakavoli, Mehdi;Rahimizadeh, Mohammad;Eshghi, Hossein;Shiri, Ali;Ebrahimpour, Zahra;Takjoo, Reza
    • Bulletin of the Korean Chemical Society
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    • v.31 no.4
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    • pp.949-952
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    • 2010
  • A new and efficient reagent for the conversion of primary and secondary alcohols into their corresponding aldehydes and ketones is introduced. The reagent was easily prepared from the reaction of DBU with molecular bromine in $CHCl_3$. The structure of the reagent as $DBUH^+{Br_3}^-$ was determined by single crystal X-ray diffraction analysis.

Characteristics of Water-soluble Polysaccharide, Showing Inhibiting Activity on ${\alpha}-Glucosidase$, in Cordyceps militaris

  • Chung, Ha-Yull;Yoo, Mi-Kyong;Kawagishi, Hirokazu
    • Food Science and Biotechnology
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    • v.18 no.3
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    • pp.667-671
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    • 2009
  • Extract of water-soluble polysaccharide (CFWx), showing inhibiting activity on ${\alpha}-glucosidase$, was prepared from the fruiting bodies of Cordyceps militaris by hot-water extraction, and ethanol precipitation. Chemical characteristics of CFWx were as follows: carbohydrate content 30% including 16% of uronic acid; 51% protein content; monosaccharide composition, Man:Glu:Gal (30:43:27); molecular weight $3-5{\times}10^4$. CFWx was further purified by ion-exchange, gel-permeation, and affinity chromatography and $CFWx-AH-{\alpha}$ fraction was isolated. Fundamental structure of $CFWx-AH-{\alpha}$ was deduced as ${\alpha}-(1{\to}4$)-D-glucan with ${\alpha}-(1{\to}3$)- and/or ${\alpha}-(1{\to}6$)-D-glycosidic side chains based on methylation analysis.