• 제목/요약/키워드: chemical mechanism

검색결과 3,276건 처리시간 0.029초

Mechanistic Studies of the Solvolyses of Cyclohexanesulfonyl Chloride

  • Kang, Suk Jin;Koh, Han Joong
    • 대한화학회지
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    • 제63권4호
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    • pp.233-236
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    • 2019
  • In this study, the solvolysis of cyclohexanesulfonyl chloride (1) was studied by kinetics in ethanol-water, methanol-water, acetone-water, and 2,2,2-trifluoroethanol (TFE)-water binary solvent systems. The rate constants were applied to the extended Grunwald-Winstein equation, to obtain the values of m = 0.41 and l = 0.81. These values suggested $S_N2$ mechanism in which bond formation is more important than bond breaking in the transition state (TS). Relatively small activation enthalpy values (11.6 to $14.8kcal{\cdot}mol^{-1}$), the large negative activation entropy values (-29.7 to $-38.7cal{\cdot}mol^{-1}{\cdot}K^{-1}$) and the solvent kinetic isotope effects (SKIE, 2.29, 2.30), the solvolyses of the cyclohexanesulfonyl chloride (1) proceeds via the $S_N2$ mechanism.

은(Ag)의 미생물 불활성화 특성 및 기작 (Antimicrobial Activity and Mechanism of Silver)

  • 김지연;김태영;윤제용
    • 공업화학
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    • 제20권3호
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    • pp.251-257
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    • 2009
  • 다양한 미생물에 대하여 높은 불활성화 성능을 지니고 있는 은(Ag)은 최근 환경 기술 분야, 나노 기술 분야 등에서 응용 가능성이 높아 큰 주목을 받고 있으며, 새로운 적용 제품들이 활발하게 연구, 개발되고 있다. 하지만 다양한 응용 연구에도 불구하고 정확한 항균 성능 및 기작에 대한 연구 결과와 이해가 부족하여 관련 연구자와 소비자들에게 논쟁과 혼동을 야기시키고 있다. 본 글에서는 기존 연구를 중심으로 은의 미생물 불활성화 성능과 기작, 다른 항균 물질과의 시너지 효과, 응용 분야 등에 대해서 정리, 검토하여 이에 대한 연구 및 개발에 도움이 되고자 한다.

Growth of Nano- and Microstructured Indium Nitride Crystals by the Reaction of Indium Oxide with Ammonia

  • Jung, Woo-Sik;Ra, Choon-Sup;Min, Bong-Ki
    • Bulletin of the Korean Chemical Society
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    • 제26권9호
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    • pp.1354-1358
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    • 2005
  • Nano- and microstructured indium nitride crystals were synthesized by the reaction of indium oxide ($In_2O_3$) powder and its pellet with ammonia in the temperature range 580-700 ${^{\circ}C}$. The degree of nitridation of $In_2O_3$ to InN was very sensitive to the nitridation temperature. The formation of zero- to three-dimensional structured InN crystals demonstrated that $In_2O_3$ is nitridated to InN via two dominant parallel routes (solid ($In_2O_3$)-to-solid (InN) and gas ($In_2O$)-to-solid (InN)). The growth of InN crystals with such various morphologies was explained by the vapor-solid (VS) mechanism where the degree of supersaturation of In vapor determines the growth morphology and the vapor was mainly by the reaction of $In_2O$ with ammonia and partially by sublimation of solid InN. The pellet method was proven to be useful to obtain homogeneous InN nanowires.

석탄연소 보일러에서 생성된 석탄회의 분석과 형성 메커니즘 해석에 대한 연구 (A Study on the Formation Mechanism of the Fly Ash from Coal Particles in the Coal Burning Boiler)

  • 이정언;이재근
    • 대한기계학회논문집B
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    • 제22권12호
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    • pp.1691-1701
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    • 1998
  • Fly ash produced in coal combustion is a fine-grained material consisting mostly of spherical, glassy, and porous particles. A study on the formation mechanism of the fly ash from coal particles in the pulverized coal power plant is investigated with a physical, morphological, and chemical characteristic analysis of fly ash collected from the Samchonpo power plant. This study may contribute to the data base of domestic fly ash, the improvement of combustion efficiency, fouling phenomena and ash collection in the electrostatic precipitator. The physical property of fly ash is determined using a particle counter for the measurement of ash size distribution. Morphological characteristic of fly ash is performed using a scanning electron micrograph. The chemical components of fly ash are determined using an inductively coupled plasma emission spectrometry(ICP). The distribution of fly ash size was bi-modal and ranged from 12 to $19{\mu}m$ in mass median diameter. Exposure conditions of flue gas temperature and duration within the combustion zone of the boiler played an important role on the morphological properties of the fly ash such as shape, particle size and chemical components. The evolution of ash formation during pulverized coal combustion has revealed three major mechanisms by large particle formation due to break-up process, gas to particle conversion and growth by coagulation and agglomeration.

Feasibility of a methane reduced chemical kinetics mechanism in laminar flame velocity of hydrogen enriched methane flames simulations

  • Ennetta, Ridha;Yahya, Ali;Said, Rachid
    • Advances in Energy Research
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    • 제4권3호
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    • pp.213-221
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    • 2016
  • The main purpose of this work is to test the validation of use of a four step reaction mechanism to simulate the laminar speed of hydrogen enriched methane flame. The laminar velocities of hydrogen-methane-air mixtures are very important in designing and predicting the progress of combustion and performance of combustion systems where hydrogen is used as fuel. In this work, laminar flame velocities of different composition of hydrogen-methane-air mixtures (from 0% to 40% hydrogen) have been calculated for variable equivalence ratios (from 0.5 to 1.5) using the flame propagation module (FSC) of the chemical kinetics software Chemkin 4.02. Our results were tested against an extended database of laminar flame speed measurements from the literature and good agreements were obtained especially for fuel lean and stoichiometric mixtures for the whole range of hydrogen blends. However, in the case of fuel rich mixtures, a slight overprediction (about 10%) is observed. Note that this overprediction decreases significantly with increasing hydrogen content. This research demonstrates that reduced chemical kinetics mechanisms can well reproduce the laminar burning velocity of methane-hydrogen-air mixtures at lean and stoichiometric mixture flame for hydrogen content in the fuel up to 40%. The use of such reduced mechanisms in complex combustion device can reduce the available computational resources and cost because the number of species is reduced.

탄소 촉매에 의하여 성장된 별-모양 ZnO 나노 구조물의 합성과 광학적 특성 (Synthesis and optical properties of star-like ZnO nanostructures grown on with carbon catalyst)

  • 정일현;채명식;이의암
    • 반도체디스플레이기술학회지
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    • 제9권2호
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    • pp.1-6
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    • 2010
  • Star-like ZnO nanostructures were grown on SI(100) substrates with carbon(C) catalyst by employing vapor-solid(VS) mechanism. The morphologies and structure of ZnO nanostructures were investigated by Field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD) and Raman spectrum, Photoluminescence spectrum. The results demonstrated that the as-synthesized products consisted of star-like ZnO nanostructure with hexagonal wurtzite phase. Nanostructures grown at 1100 were mainly star-like in structure with diameters of 500 nm. The legs of the star-like nanostructures were preferentially grown up along the [0001] direction. A vapor.solid (VS) growth mechanism was proposed to explain the formation of the star-like structures. Photoluminescence spectrum exhibited a narrow emission band peak around 380 nm and a broad one around 491 nm. Raman spectrum of the ZnO nanostructures showed oxygen defects in ZnO nanostructures due to the existence of Ar gas during the growth process, leading to the dominant green band peak in the PL spectrum.

파상형 이온 선택 표면상의 전기와류 불안정성 (Electroconvective Instability on Undulated Ion-selective Surface)

  • 이효민
    • Korean Chemical Engineering Research
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    • 제57권5호
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    • pp.735-742
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    • 2019
  • 이온 선택성 표면이 가지는 파상구조와 전기와류 불안정성 간의 전기동역학적 상호작용을 수치해석을 통하여 연구하였다. 유한요소법을 이용하여 전기장-이온 이동현상-유동장을 완전결합 해석을 하였다. 이를 통해 파상구조가 제공하는 전기와류 생성 기작인 Dukhin's mode의 유효성 및 역할을 제시하였다. Runinstein's mode와 경쟁관계에 놓이는 Dukhin's mode는 (i) 과한계 영역으로의 전이 전압을 낮춰주고 (ii) 혼돈계인 과한계 영역에서 전류를 비선형적으로 증가시켜준다. 또한, (iii) 전기와류 불안정성에서 발생하는 비효율적 혼합의 원인인 고주파수 Fourier 성분을 배제하여 전기와류의 혼합 효율을 상승시켜 준다. 결론적으로, 본 연구에서 제시한 기작은 전기투석, 화학전지 등의 이온 선택성 이동현상 시스템에 대한 에너지 효율적인 기작으로 활용 가능할 것이다.

금속수소 전극의 방전기구에 대한 수학적 모델 (A Mathematical Model for the Discharge Mechanism of a Metal Hydride Electrode)

  • 신치범;홍정호;윤경석;조병원;조원일;전귀
    • 공업화학
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    • 제9권5호
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    • pp.768-773
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    • 1998
  • 금속수소 전극의 방전시 일어나는 방전과정을 설명할 수 있는 방전반응기구에 대한 수학적 모델을 제시하였다. 유한요소법을 이용하여 방전도중의 전극전위의 변화와 금속수소 입자내의 수소농도분포를 계산할 수 있는 전산모사 프로그램을 개발하였다. 방전전류의 세기, 금속수소 입자의 크기, 금속수소입자 내에서의 수소의 확산계수 및 전극의 공극률 등을 변화시키면서 해석을 실시한 바에 의하면, 이러한 인자들이 복합적으로 작용하여 금속수소전극의 방전특성을 결정하고 금속수소 입자내의 수소의 이용율에 영향을 미침을 알 수 있었다. 따라서 고율방전을 하면서도 금속수소 입자내의 수소의 이용율을 높임으로써 금속수소 전극의 방전특성을 향상시키기 위해서는 전극설계인자들의 최적화가 필요함을 확인할 수 있었다.

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Theoretical Insight into the Mechanism of an Efficient ʟ-Proline-catalyzed Transamidation of Acetamide with Benzylamine

  • Wu, Weirong
    • Bulletin of the Korean Chemical Society
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    • 제35권9호
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    • pp.2673-2678
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    • 2014
  • The detailed mechanisms of the efficient $\small{L}$-proline and pyrrolidine catalyzed transamidation of acetamide with benzylamine have been investigated using density functional theory (DFT) calculations. Our calculated results show: (1) the mechanisms of two catalytic cycle reactions are similar. However, the rate-determining steps of their reactions are different for the whole catalytic process. One is the intramolecular nucleophilic addition reaction of 1-COM, the other is hydrolysis reaction of 2-C. (2) COOH group of $\small{L}$-proline is essential for efficient transamidation. The computational results are in good agreement with the experiment finding and mechanism resported by Rao et al. for $\small{L}$-proline-catalyzed synthesis of amidesin good to excellent yields.