• 제목/요약/키워드: Electronegativity

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플루오르화물이 $SiO_2-Al_2O_3$계 원료의 물라이트화에 미치는 영향 (Effect of Fluorides on Mullitization of $SiO_2-Al_2O_3$ System; Korean Kaolin)

  • 최상욱;이철규
    • 한국세라믹학회지
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    • 제17권2호
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    • pp.61-68
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    • 1980
  • The effect of the addition of various fluoreides on the mullitization of Korean crude kaolin was studied by X-ray powder diffraction and scanning electron microscopic methods. Kaolin without any addition of fluoreides began to be transformed into the mullite at 1, 10$0^{\circ}C$. Mullite peaks were discernible in the X-ray diffraction patterns of the specimens which contained fluorides equivalent to about 2 wt % fluorine, and which were sintered at 1, 05$0^{\circ}C$. The higher the concentration of fluorine in kaolin, the lower was the initiatinig temperature of mullitization. Experiments , for example, showed that mullite could be formed at 95$0^{\circ}C$ from kaolin mixed with 3.4% fluorine. Of the fluoride, addtives, sodiumsiliconfluoride $(Na_2SiF_6)$ was must effective in mullite formation of kaolin. In order of accelerating mullitization, the fluorides except $Na_2SiF_6$ could be placed in following sequence ; (1) sodium (NaF) (2) aluminium$(AlF_3)$ (3)potassium(KF) (4) ammonium$(NH_4F)$ (5) magnesium$(MgF_2)$ (6) calcium$(CaF_2)$. It was considered that the intrinsic characteristics of fluorides, such as size of ionic radiu, charge , bond strength between cation and anion, and electronegativity of cation affected millitization of halloysite, a main constituent mineral of kaolin.

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Improvement of PMOLED life time using Mg-Zn-F thin film passivation

  • Kim, Jae-Hyun;Seo, Jun-Seon;Hong, Seok-Min;Kang, Byoung-Ho;Kim, Do-Eok;Lee, Sung-Youp;Shin, Byong-Wook;Lee, Hyeong-Rag;Kim, Hak-Rin;Kang, Shin-Won
    • 한국정보디스플레이학회:학술대회논문집
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    • 한국정보디스플레이학회 2009년도 9th International Meeting on Information Display
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    • pp.794-797
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    • 2009
  • We manufactured a novel gas permeation thin film passivation by using inorganic Mg-Zn-F target which has better optical characteristics and high electronegativity. We fabricated targets in various composition ratio and formed about 200nm which is limited thickness of the flexible display. Applied to PLED device, the target which composed of $MgF_2$ and Zn at the ratio of 4:6, WVTR was reached the measurement limit of the equipment, $10^{-3}g/m^2{\cdot}day$ and the life time was increased 25 times better than PLED device which is non-passivation.

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A Comparative QSPR Study of Alkanes with the Help of Computational Chemistry

  • Kumar, Srivastava Hemant
    • Bulletin of the Korean Chemical Society
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    • 제30권1호
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    • pp.67-76
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    • 2009
  • The development of a variety of methods like AM1, PM3, PM5 and DFT now allows the calculation of atomic and molecular properties with high precision as well as the treatment of large molecules with predictive power. In this paper, these methods have been used to calculate a number of quantum chemical descriptors (like Klopman atomic softness in terms of $E_n^{\ddag}\;and\;E_m^{\ddag}$, chemical hardness, global softness, electronegativity, chemical potential, electrophilicity index, heat of formation, total energy etc.) for 75 alkanes to predict their boiling point values. The 3D modeling, geometry optimization and semiempirical & DFT calculations of all the alkanes have been made with the help of CAChe software. The calculated quantum chemical descriptors have been correlated with observed boiling point by using multiple linear regression (MLR) analysis. The predicted values of boiling point are very close to the observed values. The values of correlation coefficient ($r^2$) and cross validation coefficient ($r_{cv}^2$) also indicates the generated QSPR models are valuable and the comparison of all the methods indicate that the DFT method is most reliable while the addition of Klopman atomic softness $E_n^{\ddag}$ in DFT method improves the result and provides best correlation.

Improved performance of polyamide nanofiltration membranes by incorporating reduced glutathione during interfacial polymerization

  • Jiao, Zhiwei;Zhou, Linjie;Wu, Mengyuan;Gao, Kang;Su, Yanlei;Jiang, Zhongyi
    • Korean Journal of Chemical Engineering
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    • 제35권12호
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    • pp.2487-2495
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    • 2018
  • Inspired by the specific amino acid sequence Asn-Pro-Ala (NPA) of water channel aquaporins (AQPs), we fabricated polyamide (PA) nanofiltration (NF) membranes by introducing reduced glutathione (GSH) in interfacial polymerization (IP) method. Fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectrometry (XPS), scanning electron microscope (SEM), atomic force microscopy (AFM), zeta potential and static water contact angle measurement were employed to characterize the chemical composition, morphology, electronegativity and hydrophilicity of the NF membranes. The water flux of GSH/PIP-TMC NF membrane reached $32.00L\;m^{-2}h^{-1}$ at 0.2 MPa, which was approximately twice than that of pristine PIP-TMC NF membrane when the ratio of GHS to piperazidine (PIP) was 40% during IP process. More water channels were built as GSH was embedded into PA layer. The fabricated NF membranes also took on potent rejection for dyes and $Na_2SO_4$. This study presents a simple and facile method to simulate water channels-based biological materials which may find potential application in water treatment.

전이금속 카바이드를 이용한 암모니아 분해 반응으로부터 수소생산 (Hydrogen Production from Ammonia Decomposition over Transition Metal Carbides)

  • 최의지;최정길
    • 한국수소및신에너지학회논문집
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    • 제30권1호
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    • pp.1-7
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    • 2019
  • The preparation and catalytic activities of various transition metal carbide crystallites (VC, MoC, WC) were examined in this study. In particular, the effect of different kinds of transition metal crystallites were scrutinized on the ammonia decomposition reaction. The experimental results showed that BET surface areas ranged from $8.3m^2/g$ to $36.3m^2/g$ and oxygen uptake values varied from $9.1{\mu}mol/g$ to $25.4{\mu}mol/g$. Amongst prepared transition metal carbide crystallites, tungsten compounds (WC) were observed to be most active for ammonia decomposition reaction. The main reason for these results were considered to be related to the extent of electronegativity between these materials. Most of transition metal carbide crystallites were exceeded by Pt/C crystallite. However, the steady state reactivities for some of transition metal carbide crystallites (WC) were comparable to or even higher than that determined for the Pt/C crystallite.

산성비 및 배연탈황설비 환경에서 Ni 첨가에 따른 저합금강의 내식성 비교연구 (Comparative Study of Ni effect on the Corrosion Behavior of Low Alloy Steels in FGD and Acid Rain Environments)

  • 한준희;;장영욱;김정구
    • 대한금속재료학회지
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    • 제47권9호
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    • pp.558-566
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    • 2009
  • The alloying effect of a small amount of nickel on low alloy steel for application to flue gas desulfurization(FGD) systems was studied. The structural characteristics of the rust layer were investigated by scanning electron microscopy(SEM). The electrochemical properties were examined by means of potentiostatic polarization test, potentiodynamic polarization test, and electrochemical impedance spectroscopy(EIS) in a modified green death solution of 16.9 vol.% $H_2SO_4$+0.35 vol.% HCl at $60^{\circ}C$ and an acid rain solution of $6.25{\times}10^{-5}M\;H_2SO_4+5.5{\times}10^{-3}M\;NaCl$ at room temperature. It was found that as the amount of nickel increased, the corrosion rate increased in the modified green death solution, which seemed to result from micro-galvanic corrosion between NiS and alloy matrix. In acid rain solution, the corrosion rate decreased as the amount of nickel increased due to the repulsive force of $NiFe_2O_4$ rust against $Cl^-$ ions by electronegativity.

Corrosion Inhibition Studies on Low Carbon Steel in Hydrochloric Acid Medium Using o-Vanillin-Glutamine Schiff Base

  • Thusnavis, G. Rexin;Archana, T.V.;Palanisamy, P.
    • Corrosion Science and Technology
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    • 제21권1호
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    • pp.32-40
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    • 2022
  • The o-Vanillin - Glutamine Schiff base [2-Hydroxy-3-Methoxy BenzylidineCarbomyl) -2-Butanoic Acid] was examined for low carbon steel corrosion inhibition in acid media. Weight loss studies were carried out at three different temperatures to determine the inhibition efficiency (IE). Electrochemical impedance spectroscopy revealed that the charge transfer resistance controlled the corrosion reaction and Tafel polarization indicated that the Schiff base acts as mixed mode of inhibitor. SEM images were recorded for the surface morphology of the low carbon steel surface. DFT studies revealed corrosion control mechanisms using quantum chemical parameters such as EHOMO, ELUMO, energy gap (∆E), chemical Hardness (η), chemical Softness (σ), Electronegativity (χ), and the fraction of electron transferred (∆N), which is calculated using Gaussian software 09. The gas-phase geometry was fully optimized in the Density Functional Theory (DFT/B3LYP-6-31G (d)).The DFT results are in good agreement with the experimental results. All the results proved that the Schiff Base (2-Hydroxy-3-Metoxy BenzylidineCarbomyl) -2-Butanoic is a suitable alternative for corrosion inhibition of low carbon steel in acid media.

P(VDF-TrFE)/그래핀플라워 복합소재 기반 마찰전기 나노발전기 제작 (Fabrication of Triboelectric Nanogenerator based on a Composite of P(VDF-TrFE)/Graphene Flower)

  • 사키브 무하마드;김우영
    • 한국응용과학기술학회지
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    • 제40권4호
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    • pp.913-923
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    • 2023
  • 본 연구에서는 공기중에서도 안정적이며 상대적으로 전기음성도가 큰 테플론계열의 고분자와 그래핀플라워를 이용하여 마찰전기 나노발전기를 제작하였다. 상기 복합고분자는 회전도포방법을 이용하여 나노발전기의 전기적 음성층의 제작에 이용되었다. 전기적 양성층을 위하여 졸-겔 방법을 이용하여 산화아연막을 제작하였다. 제작된 마찰전기 나노발전기는 약 44 ㎼의 최대전력을 생산하였다. 결론적으로, 마찰전기 나노발전기의 모든 활성층은 회전도포방법을 이용하였으므로 대면적으로 확장가능하다.

DGEBF/방향족아민 경화계의 벤젠링 사이에 위치한 Methyl기와 Sulfone기가 유발하는 물성변화에 대한 연구 (Chemo-Mechanical Analysis of Bifunctional linear DGEBF/Aromatic Amino Resin Casting Systems)

  • 이재락;명인호
    • Composites Research
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    • 제18권4호
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    • pp.14-20
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    • 2005
  • 방향족아민 경화제의 벤젠링 사이의 관능기 변화가 반응특성, 기계적특성 및 열적특성에 미치는 영향을 고찰하기 위하여 범용 에폭시수지인 DGEBF와 방향족아민 경화제 DDM, DDS 각각을 1:1의 당량비로 혼합하여 동일한 조건으로 경화하였다. 그 결과 에폭시수지 경화물의 특성은 경화제의 벤젠링 사이의 관능기 구조에 따라 매우 큰 영향을 받았다. 즉, 벤젠링 사이에 길이가 길고 bulky한 술폰기를 포함한 DDS는 반응성, 열안정성, 밀도, shrinkage($\%$), 선팽창계수, 인장탄성율. 인장강도, 굴곡탄성율, 굴곡강도의 값이 벤젠링 사이에 메틸기를 가지는 DDM 경화물계 보다 높게 나타났지만, epoxide기의 전환율, 유리전이온도의 값은 낮게 나타냈다. 이것은 술폰기의 강한 전기음성도와 메틸기의 전기 양성적인 repulsive한 성질의 차이에 의한 영향인 것으로 판단된다. 굴곡 파단면의 관찰 결과는 DDS 경화물계의 각개 grain이 불규칙적으로 분포되어 있음을 확연하게 보여준다.

Pt/Al2O3계 촉매의 특성이 수소제어 활성에 미치는 영향 연구 (Effect of Pt/Al2O3-based Catalysts on Removal Efficiency of Hydrogen)

  • 원종민;홍성창
    • 공업화학
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    • 제28권2호
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    • pp.221-229
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    • 2017
  • 본 연구에서는 다양한 상용 알루미나 지지체의 수소 상온산화 반응특성을 확인하기 위하여 활성금속 Pt를 기본으로 한 촉매에 습식함침법으로 제조하였다. 제조된 촉매들은 XPS, CO-chemisorption, BET를 이용하여 특성분석을 수행하였다. 다양한 $Pt/Al_2O_3$계 촉매는 열처리 조건에 따라서 촉매를 제조할 경우 전자 전하의 이동으로 발생하는 전기음성도 특성이 Pt의 산소종을 제어하였다. Pt의 담지량이 증가함에 따라 분산도가 감소하는 이유는 Pt의 HT (Huttig Temperature)에 기인한 것으로 보인다. 또한 상온에서 제어할 수 있는 최소 수소농도는 metallic Pt가 촉매 내 70.09% 이상에서 1.0 vol%까지 수소를 제어할 수 있었다.