• Title/Summary/Keyword: 이온 생성 과정

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A Study Based on Molecular Orbital Theory of Polymerization of Oxetane High Explosives (옥세탄 고폭 화약류의 중합반응에 관한 분자 궤도론적 연구)

  • Kim, Joon-Tae
    • Applied Chemistry for Engineering
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    • v.20 no.2
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    • pp.159-164
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    • 2009
  • Monomers of oxetane high explosives were theoretically examined in terms of reactivity, reaction mechanism and process of polymerization substituted by azido $(-CH_2N_3)$, nitrato $(-CH_2ONO_2)$ and hydrazino $(-CH_2N_2H_3)$ which belong to the 5th class hazardous materials and have explosiveness under acid catalyst using MINDO/3, MNDO, and AMI methods for formal charge, heat of formation, and energy level. Nucleophilicity and base of oxetane high explosives could be explained by negative charge size of oxetane oxygen atom and reactivity of oxetane in the growth stage of polymerization under acid catalyzer could be expected to be governed by positive charge size of axial carbon atom and low LUMO energy of electrophile. It could be estimated that carbenium ion was more beneficial in the conversion process of oxetane high explosives than that of stabilization energy (13.90~31.02 kcal/mole) of oxonium ion. In addition, concentration of oxonium ion and carbenium ion in equilibrium state influenced mechanism and it was also estimated that $S_N1$ mechanism reacts faster than that of $S_N2$ in prepolymer growth stage considering quick equilibrium based on form and calculation of polymerization under acid catalyzer.

Electrochemical Reduction of Carbon Dioxide Using a Proton Exchange Membrane (양이온 교환막을 이용한 이산화탄소의 전기화학적 환원)

  • Kim, Hak-Yoon;Ahn, Sang Hyun;Hwang, Seung Jun;Yoo, Sung Jong;Han, Jonghee;Kim, Jihyun;Kim, Soo-Kil;Jang, Jong Hyun
    • Journal of the Korean Electrochemical Society
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    • v.15 no.4
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    • pp.216-221
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    • 2012
  • Electrochemical reduction of carbon dioxide has been widely studied by many scientists and researchers. Recently, the production of formic acid, which is expensive but highly useful liquid material, is receiving a great attention. However, difficulties in the electrochemical reduction process and analyzing methods impede the researches. Therefore, it is important to design an adequate system, develop the reduction process and establish the analyzing methods for carbon dioxide reduction to formic acid. In this study, the production of formic acid through electrochemical reduction of carbon dioxide was performed and concentration of the product has been analyzed. Large scale batch cell with proton exchange membrane was used in the experiment. The electrochemical experiment has been performed using a series of metal catalysts. Linear sweep voltammetry (LSV) and chronoamperometry were performed for carbon dioxide reduction and electrochemical analysis using silver chloride and platinum electrode as a reference electrode and counter electrode, respectively. The concentration of formic acid generated from the reduction was monitored using high performance liquid chromatography (HPLC). The results validate the appropriateness and effectiveness of the designed system and analyzing tool.

Global Modeling of Atmospheric Pressure Oxygen Plasmas (대기압 산소 방전에 관한 공간 평균 모델 시뮬레이션)

  • Hwang, Seok-Won;Lee, Ho-Jun;Lee, Hae-June
    • Journal of the Korean Vacuum Society
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    • v.20 no.4
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    • pp.258-265
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    • 2011
  • A zero-dimensional global model simulator for atmospheric pressure oxygen plasmas has been developed. The simulation model considers the configurations similar to that of plasma needle device. The simulation results show that those species of O, $O_3$, $O_2*$ and ${O_2}^+$ have the highest density in sequence. Electrons dissipate most of their energy through the collisions with oxygen molecules. If the input power increases, the density of most species also increases as much as three-boy collision for the creation of ozone is weakened and hence the density of ozone decreases. The body to volume ratio also affects the plasma density.

Characterization of Etching profile for $LiNbO_3$ Optical Waveguide by Using Neutral Loop Discharge Plasma Dry Etching (NLD Plasma 식각 공정을 이용한 $LiNbO_3$ 광 도파로의 식각 Profile의 특성)

  • 박우정;양우석;이승태;김우경;장현수;이한영;윤대호
    • Proceedings of the Materials Research Society of Korea Conference
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    • 2003.03a
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    • pp.138-138
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    • 2003
  • 광대역 LiNbO$_3$ 광변조기의 초고속 광 변조 구현을 위해서는 RF/ optical 속도 정합 및 임피던스 매칭 조건 하에서 낮은 구동전압을 얻을 수 있는 ridge 구조의 제작이 필수적이며 이런 구조 제작하기 위해서는 식각 속도와 식각면 거칠기 식각 profile 및 식각 과정에서의 반응물의 감소 등과 같은 개선을 위한 연구가 필요하다. 본 연구에서는 LiNbO$_3$ 기판 위에 메탈 마스크를 형성한 후 비등방성 (anisotropic) 건식 식각 방법인 NLD (Neutral Loop Discharge)로 플라즈마 식각을 하였다. NLD plasma 식각은 1Pa 이하의 압력에서 낮은 전자 온도를 갖는 고밀도 플라즈마를 생성하고 이온 플라즈마를 형성하여 LiNbO$_3$ 표면의 원자와 분자를 이온충돌효과를 이용하여 물리적인 식각과 discharge로 형성된 레디칼 (radical)과의 상호작용에 의한 화학적 식각 메커니즘에 의한 방법으로 plasma에 의한 시편의 손상이 적으며 식각 속도가 또한 높은 것이 특징이다. 본 논문에서는 안테나 파워와 가스의 유량에 따른 LiNbO$_3$ 식각 profile 특성에 관하여 연구 하고자 한다.

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Removal of Copper Ion with Iron-Oxide-Coated Sand (산화철 피복사에 의한 구리이온제거)

  • 곽명화;우성훈;김익성;박승조
    • Resources Recycling
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    • v.9 no.1
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    • pp.70-75
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    • 2000
  • The sand particle was coated with $Fe_3O_4$ and then $Fe_2O_3$ that adsorption capacity was more excellent than $Fe_3O_4$ was mostly found in 2nd step for preparation of iron-oxide-coated sand (IOCS). The copper removal rate was 74.9 percent by adding 30 gram per liter iron-oxide-coated sand from the solution with 5 mg/l Cu in 20 minute. Breakthrough time occurred in 23 hours and adsorption capacity 0.87$\cdot$Cu/g$\cdot$IOCS in case of breakthrough copper concentration was 1.0 mg/l in the continuous test.

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Theoretical Studies on the Photoreaction Paths of the Monocyanopentaamminechromium(Ⅲ) Ion ([Cr(NH$_3$)$_5$CN]$^{2+}$이온의 광반응 경로에 대한 이론적 고찰)

  • Jong Jae Chung;Jong Ha Choi
    • Journal of the Korean Chemical Society
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    • v.29 no.1
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    • pp.38-44
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    • 1985
  • Photoreaction path for the monocyanochromium (Ⅲ) ion was inferred from the experimentally observed product ratio and theoretical analysis. The angular overlap model was used to analyze the d-orbital of various intermediates along a selected reaction coordinate and to determine quartet state energy level. A loss of equatorial ammine leads to pentacoordinated square pyramid with CN- ligand in an equatorial position. The SP(CNeq) intermediate undergoes a rearrangement by the N-Cr-CN bending. This process leads to a trigonal bipyramidal intermediate in which the CN- ligand is located in equatorial position. The subsequent association with a solvent molecule should probably proceed by lateral attack an one edge of the equatorial triangle. The assumption adopted above was consistent with experimental results.

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Dose-Response Relationship of Micronucleus Frequency in Pollen Mother Cells of Tradescantia (자주달개비 화분모세포 미세핵 생성률의 방사선량-반응 관계)

  • Kim, Jin-Kyu;Song, Hi-Sup;Hyun, Soung-Hee
    • Journal of Radiation Protection and Research
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    • v.24 no.4
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    • pp.225-230
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    • 1999
  • This study was carried out to investigate the radiation dose-response of micronucleus frequencies in Tradescantia pollen mother cells. The number of micronuclei increased in the tetrads as a result of chromosome deletion after irradiation. The maximal frequency of micronuclei showed a good dose-response relationship in the range of dose $0{\sim}50$ cGy. On the basis of the relationship, a dose of 1 cGy results maximally in two additional micronuclei in 100 tetrads. The radiation dose-response relationship of micronucleus occurrence is prerequisite to biological monitoring of radiations. The micronucleus assay can be applied to biological risk assessment of environmental toxicants, and to integrity test of water or soils of interest.

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Improvement of protein identification performance by reinterpreting the precursor ion mass tolerance of mass spectrum (질량스펙트럼의 펩타이드 분자량 오차범위 재해석에 의한 단백질 동정의 성능 향상)

  • Gwon, Gyeong-Hun;Kim, Jin-Yeong;Park, Geon-Uk;Lee, Jeong-Hwa;Baek, Yung-Gi;Yu, Jong-Sin
    • Bioinformatics and Biosystems
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    • v.1 no.2
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    • pp.109-114
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    • 2006
  • In proteomics research, proteins are digested into peptides by an enzyme and in mass spectrometer, these peptides break into fragment ions to generate tandem mass spectra. The tandem mass spectral data obtained from the mass spectrometer consists of the molecular weights of the precursor ion and fragment ions. The precursor ion mass of tandem mass spectrum is the first value that is fetched to sort the candidate peptides in the database search. We look far the peptide sequences whose molecular weight matches with precursor ion mass of the mass spectrum. Then, we choose one peptide sequence that shows the best match with fragment ions information. The precursor ion mass of the tandem mass spectrum is compared with that of the digested peptides of protein database within the mass tolerance that is assigned by users according to the mass spectrometer accuracy. In this study, we used reversed sequence database method to analyze the molecular weight distribution of precursor ions of the tandem mass spectra obtained by the FT LTQ mass spectrometer for human plasma sample. By reinterpreting the precursor ion mass distribution, we could compute the experimental accuracy and we suggested a method to improve the protein identification performance.

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The Extraction of Metal Contaminants using Supercritical CO2 (초임계이산화탄소를 이용한 방사성 금속이온 추출)

  • Ju, Minsu;Kim, Jung-Hoon;Kang, Se-Sik
    • The Journal of the Korea Contents Association
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    • v.16 no.5
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    • pp.660-667
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    • 2016
  • Conventional decontamination methods utilize water-based systems, which generate high amounts of secondary wastes. Herein, we describe an environmentally benign decontamination method using liquid and supercritical $CO_2$. The use of $CO_2$ as a solvent affords effective waste reduction by its ability to be recycled, thereby leaving be hind only the contaminants upon its evaporation. In this study, a $CO_2$ solution process was assessed using t-salen(t-butylsalen), DC18C6 (dicyclohexano-18Crown6), 8-HQN(8-hydroxyquinoline), NEt4PFOSA(perfluoro-1-octanesulfonic acid tetra-ethyl ammonium salt), and NEt4PFOA(pentadecafluorooctanoic acid ammonium salt) to extract spiked radioactive contaminants(Nb,Zr,Co,Sr) from an inert sample matrix, namely filter paper. With the static extraction method, Sr was extracted with a maximum extraction rate of 97%, and Nb was extracted with a maximum extraction rate of 75%. Additionally, we were also able to extract Co and Zr with maximum extract ion ratesof 73% and 64%, respectively.

A Study on the Kinetics and Mechanism of the Hydrolysis of 5,6-Dihydro-1,4-thiazine Derivatives (5,6-Dihydro-1,4-thiazine 유도체의 가수분해 메카니즘과 반응속도론적 연구)

  • Lee, Gwang Il;Lee, Seok U;Gwak, Cheon Geun;Jang, Byeong Man;Kim, Yeong Ju;Lee, Gi Chang
    • Journal of the Korean Chemical Society
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    • v.38 no.5
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    • pp.366-371
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    • 1994
  • The kinetics of the hydrolysis of 5,6-dihydro-1,4-thiazine derivatives was investigated by ultraviolet spectrophotometry in $H_2O$ at 25$^{\circ}C$. A rate equation which can be applied over a wide pH range was obtained. The substituent effects on the hydrolysis of 5,6-dihydro-1,4-thiazine derivatives were studied and the rate of hydrolysis was shown to be accelerated by electron donating groups. Final product of the hydrolysis was 2-(N-acetylaminoethylthio)-acetoacetanilide enol from Judging from the results of the rate equation, general base effect, activation parameters and final products, the hydrolysis of 5,6-dihydro-1,4-thiazine derivatives seemed to be initiated by the neutral $H_2O$ molecule which does not dissociate at pH below 10.0, but proceeded by the hydroxide ion at pH above 11.0, and those two reactions occurred competively at pH 10.0∼11.0 range. On the basis of these findings a plausible mechanism for the hydrolysis of 5,6-dihydro-1,4-thiazine derivative was proposed.

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