• Title/Summary/Keyword: chemical structure analysis

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Electrochemical characterization of activated carbon-sulfur composite electrode in organic electrolyte solution

  • Kim, Dongyoung;Park, Soo-Jin;Jung, Yongju;Kim, Seok
    • Carbon letters
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    • v.14 no.2
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    • pp.126-130
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    • 2013
  • In this study, we present a more electrochemically enhanced electrode using activated carbon (AC)-sulfur (S) composite materials, which have high current density. The morphological and micro-structure properties were investigated by transmission electron microscopy. Quantity of sulfur was measured by thermogravimetric analysis analysis. The electrochemical behaviors were investigated by cyclic voltammetry. As a trapping carbon structure, AC could provide a porous structure for containing sulfur. We were able to confirm that the AC-S composite electrode had superior electrochemical activity.

Numerical Analysis on the Triple Flame Structure with Different Kinds of Fuel (3중화염의 구조에 미치는 연료종류에 관한 수치해석)

  • 최낙정
    • Journal of Advanced Marine Engineering and Technology
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    • v.23 no.1
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    • pp.88-95
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    • 1999
  • This study investigates the effects of different kind fuels on the flame structure by using the numerical simulation in triple flame made by a co-flowing fuels-air stream based on the elementary chemical reaction mechanism. Methane and Hydrogen were used as fuel for this study. In order to interpret the result of the study on numerical simulation Skeletal chemistry is employe as the elementary chemical reaction mechanism for methane Gutheil's as an offset ele-mentary chemical reaction mechanism for hydrogen. The result of this study is as follows. In com-parison between the apparent burning velocity change of triple flame and the one-dimensional pre-mixed flame hydrogen fuel flame is higher than methane fuel flame. The flame thrusts out for-ward in the down stream of the boundary between air-fuel mixture and air stream and a part of the flow is bent and forks out in this protruding flame so that a triple flame is originated.

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Finite Element Analysis of the Effect of Chloride Ion on the Coastal Concrete Structure with Ground Granulated Blast Furnace Slag (고로슬래그 미분말을 사용한 해양콘크리트 구조물의 염분침투해석)

  • 여경윤;김은겸
    • Proceedings of the Korea Concrete Institute Conference
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    • 2000.10b
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    • pp.945-950
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    • 2000
  • Coastal concrete structure is harmed by physical and chemical action of sea water, impact load, meteorological effect and etc. especially, premature reinforcement corrosion in concrete exposed to sea water has an important problem. In this study, the behavior of chloride ions penetrated through the coastal concrete structure with ordinary portland cement or ground granulated blast furnace slag(GGBFS) was modeled. The physicochemical processes including the diffusion of chloride and the chemical reaction of chloride ion with calcium silicate hydrate and the other constituents of hardened cement paste such as$C_3A$ and $C_4AF$were analyzed by using the Finite Element Method. From analysis result, the corrosion of concrete structure with GGBFS begins 1.69~1.76 times later than that of concrete structure with ordinary portland cement.

The Effect of Electron Beam Irradiation on Chemical and Morphological Properties of Hansan Ramie Fibers

  • Lee, Jung Soon
    • Fashion & Textile Research Journal
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    • v.15 no.3
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    • pp.430-436
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    • 2013
  • The purpose of this study investigates the effects of electron beam(EB) irradiation on the chemical and morphological properties of Hansan ramie fiber. Hansan ramie fibers were irradiated with electron beam doses of 0, 1, 3, 5 and 10kGy. The effect of electron beam irradiation on the chemical components of fibers as well as the surface chemical and morphological properties were investigated using chemical component analysis methods based on TAPPI standards, XPS, and SEM. The results indicate that the surface layers can be removed under suitable EB irradiation doses. Alcohol-benzene extraction and lignin content increases gradually with an increase in EB irradiation and reaching a maximum at an EB dose of 3kGy, and decreases at 10kGy. The surface chemical changes measured by XPS corresponded to the chemical composition analysis results. The C1 peak and the O/C ratio decreased with the removal of the multi-layer and primary layer by EB irradiation. The SEM images show the inter-fibrillar structure etched by EB irradiation up to 5kGy. At 10kGy, the surface structure of the ramie fiber shows highly aligned and distinctive striations in a longitudinal direction. The removal of these exterior layers of the fiber was confirmed by changes in surface morphology as observed in SEM images.

Evaluation on Deterioration of Concrete Structure under Marine Environment (해양환경하에 노출된 콘크리트 구조물의 침식평가)

  • 문한영;김성수;김홍삼;이승태;권태석
    • Proceedings of the Korea Concrete Institute Conference
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    • 2000.10a
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    • pp.399-402
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    • 2000
  • When concrete structures are built in marine environment, they may be deteriorated and have the poor durability and quality caused by steel corrosion or by chemical attack of magnesium or sulfate ions. Especially, Mg ions contained in seawater make concrete surface weaken by chemical reaction with $Ca(OH)_2$ In this study, a concrete structure built in 1947 was investigated to estimate the factors, especially chemical attack, which can cause concrete to deteriorate. Furthermore, the instrumental analysis methods such as XRD and ESEM were performed to find the reactants in concrete under marine environment.

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Quantitative Structure-Activity Relationship(QSAR) Study of New Fluorovinyloxycetamides

  • Jo, Du Ho;Lee, Seong Gwang;Kim, Beom Tae;No, Gyeong Tae
    • Bulletin of the Korean Chemical Society
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    • v.22 no.4
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    • pp.388-394
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    • 2001
  • Quantitative Structure-Activity Relationship (QSAR) have been established of 57 fluorovinyloxyacetamides compounds to correlate and predict EC50 values. Genetic algorithm (GA) and multiple linear regression analysis were used to select the descriptors and to generate the equations that relate the structural features to the biological activities. This equation consists of three descriptors calculated from the molecular structures with molecular mechanics and quantum-chemical methods. The results of MLR and GA show that dipole moment of z-axis, radius of gyration and logP play an important role in growth inhibition of barnyard grass.

Comparison of QSAR Methods (CoMFA, CoMSIA, HQSAR) of Anticancer 1-N-Substituted Imidazoquinoline-4,9-dione Derivatives

  • Suh, Myung-Eun;Park, So-Young;Lee, Hyun-Jung
    • Bulletin of the Korean Chemical Society
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    • v.23 no.3
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    • pp.417-422
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    • 2002
  • Comparison studies of the Quantitative Structure Activity Relationship (QSAR) methods with new imidazo-quinolinedione derivatives were conducted using Comparative Molecular Field Analysis (CoMFA), Comparative Molecular Similarity Indices Analysis (CoMSIA), and the Hologram Quantitative Structure Activity Relationship (HQSAR). When the CoMFA crossvalidation value, q2, was 0.625, the Pearson correlation coefficient, r2, was 0.973. In CoMSIA, q2 was 0.52 and r2 was 0.979. In the HQSAR, q2 was 0.501 and r2 was 0.924. The best result was obtained using the CoMSIA method according to a comparison of the calculated values with the real in vitro cytotoxic activities against human ovarian cancer cell lines.

Quantum Chemical Studies of Some Sulphanilamide Schiff Bases Inhibitor Activity Using QSAR Methods

  • Baher, Elham;Darzi, Naser;Morsali, Ali;Beyramabadi, Safar Ali
    • Journal of the Korean Chemical Society
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    • v.59 no.6
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    • pp.483-487
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    • 2015
  • The different calculated quantum chemical descriptors by DFT method were used for prediction of some sulphanilamide Schiff bases inhibitor activity as a binding constant (log K). Multiple linear regression (MLR) and artificial neural network (ANN) were employed for developing the useful quantitative structure activity relationship (QSAR) model. The obtained results presented superiority of ANN model over the MLR one. The offering QSAR model is very easy to computation and Physico-Chemically interpretable. Sensitivity analysis was used to determine the relative importance of each descriptor in ANN model. The order of importance of each descriptor according to this analysis is: molecular volume, molecular weight and dipole moment, respectively. These descriptors appear good information related to different structure of sulphanilamide Schiff bases can participate in their inhibitor activity.