• Title/Summary/Keyword: reaction-formation

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Mechanistic Aspects in the Grignard Coupling Reaction of Bis(chloromethyl)dimethylsilane with Trimethylchlorosilane

  • 조연석;유복렬;안삼영;정일남
    • Bulletin of the Korean Chemical Society
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    • v.20 no.4
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    • pp.422-426
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    • 1999
  • The Grignard reactions of bis(chloromethyl)dimethylsilane (1) with trimethylchlorosilane (2) in THF give both the intermolecular C-Si coupling and intramolecular C-C coupling products. At beginning stage, 1 reacts with Mg to give the mono-Grignard reagent ClCH2Me2SiCH2MgCl (1) which undergoes the C-Si coupling reaction to give MC2Si(CH2SiMe3)2 3, or C-C coupling to a mixture of formula Me3SiCH2(SiMe2CH2CH2)nR1 (n = 1, 2, 3, ..; 4a, R1I = H: 4b, R1 = SiMe3). In the reaction, two reaction pathways are involved: a) Ⅰ reacts with 2 to give Me3SiCH2SiMe2CH2Cl 6 which further reacts with Mg to afford a Me2SiCH2Mel-SiCH2MgCl (Ⅱ) or b) I cyclizes intramolecularly to a silacyclopropane intermediate A, which undergoes a ring-opening polymerization by the nucleophilic attack of the intermediates I or Ⅱ, followed by the termination reaction with H2O and 2, to give 4a and 4b, respectively. As the mole ratio of 2/1 increased from 2 to 16 folds, the formation of product 3 increased from 16% to 47% while the formation of polymeric products 4 was reduced from 60% to 40%. The intermolecular C-Si coupling reaction of the pathway a becomes more favorable than the intramolecular C-C coupling reaction of the pathways b at the higher mole ratio of 2/1.

Kinetics and Thermodynamic Studies on the Reaction of Cysteine with Cinnamaldehyde

  • Kim, Tae-Rin;Yun, Se-Joon;Park, Byung-Bin
    • Bulletin of the Korean Chemical Society
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    • v.7 no.1
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    • pp.25-29
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    • 1986
  • The reaction of cysteine with cinnamaldehyde have been studied kinetically and thermodynamically. It was found that the reaction proceeds in two steps; formation of the monoadduct by a Michael type addition followed by the nucleophilic attack of the second cysteine to the carbonyl carbon of the monoadduct to afford the thiazolidine derivative. A reaction profile for the reaction of cysteine with cinnamaldehyde was constructed based on the thermodynamic parameters analyzed for the forward and the reverse reactions. It was assumed that the second step of this reaction accompanies an intermediate, a Schiff base.

Effect of $CO_2$ Addition on Flame Structure and NOx Formation of $CH_4-Air$ Counterflow Diffusion Flames ($CO_2$ 첨가가 $CH_4$-공기 대향류 확산화염의 구조 및 NOx 생성에 미치는 영향)

  • Lee, S.R.;Han, J.W.;Lee, C.E.
    • Journal of the Korean Society of Combustion
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    • v.4 no.2
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    • pp.97-108
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    • 1999
  • This numerical study was to investigate the effect of $CO_2$ addition on the structures and NOx formation characteristics in $CH_4$ counterflow diffusion flame. The importance of radiation effect was identified and $CO_2$ addition effect was investigated in terms of thermal and chemical reaction effect. Also the causes of NOx reduction were clarified by separation method of each formation mechanisms. The results were as follows : The radiation effect was intensified by $CO_2$ addition. Thermal effect mainly contributed to the changes in flame structure and the amount of NO formation but the chemical reaction effect also cannot be neglected. The reduction of thermal NO was dominant with respect to reduction rate, but that of prompt NO was dominant with respect to total amount.

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A Consideration of Void Formation Mechanism at Gate Edge Induced by Cobalt Silicidation (코발트 실리사이드에 의한 게이트 측벽 기공 형성에 대한 고찰)

  • 김영철;김기영;김병국
    • Korean Journal of Crystallography
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    • v.12 no.3
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    • pp.166-170
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    • 2001
  • Dopants implanted in silicon substrate affect the reaction between cobalt and silicon substrate. Phosphorous, unlike boron and arsenic, suppressing the reaction between cobalt and silicon induces CoSi formation during a low temperature thermal treatment instead of CoSi₂formation. The CoSi layer should move to the silicon substrate to fill the vacant volume that is generated in the silicon substrate due to the silicon out-diffusion into the cobalt/CoSi interface. The movement of CoSi at gate sidewall spacer region is suppressed by a cohesion between gate oxide and CoSi layers, resulting in a void formation at the gate sidewall spacer edge.

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The Characteristics of Iron(Fe) Floc Formation for Treatment of Acid Mine Drainage (산성 광산 배수의 처리를 위한 철(Fe) 성분의 플럭 형성 특성)

  • Song, Kun-Ho;Lee, Kwang-Rae
    • Journal of Industrial Technology
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    • v.33 no.A
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    • pp.89-92
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    • 2013
  • The characteristics of floc formation of the iron(Fe) ions was studied for developing the process treating the acid mine drainage. The metal ions in aqueous solution oxidized with oxygen in air, which generated hydrogen ion and lowered the pH of the aqueous solution. The iron(Fe) ions were formed into flocs by the acid-base reaction with the added $Ca(OH)_2$ for the neutralizing the solution. There were several variables affecting the formation, size and color of floc; whether air was present or not, air feeding rate, oxidizing time, concentration of $Ca(OH)_2$, the acid-base reaction time of the $iron(Fe)-Ca(OH)_2$. For proper formation of the $iron(Fe)-Ca(OH)_2$ flocs and developing the floc treating system, the control variables mentioned above should be considered.

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Numerical Analysis for the Soot Formation Processes in Acetylene-Air Nonpremixed Turbulent Jet Flame (아세틸렌/공기 비예혼합 난류 제트화염의 Soot 생성에 대한 수치해석)

  • 김후중;김용모;윤명원
    • Transactions of the Korean Society of Automotive Engineers
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    • v.10 no.6
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    • pp.80-89
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    • 2002
  • The flame structure and soot formation in Acetylene-Air nonpremixed jet flame are numerically analyzed. We employed two variable approach to investigate the soot formation and oxidation processes. The present soot reaction mechanism involves nucleation, surface growth, particle coagulation, and oxidation steps. The gas phase chemistry and the soot nucleation, surface growth reactions are coupled by assuming that the nucleation and soot mass growth has the certain relationship with the concentration of pyrene and acetylene. We also employed laminar flamelet model to calculate the thermo-chemical properties and the proper soot source terms from the information of detailed chemical kinetic model. The numerical and physical model used in this study successfully predict the essential features of the combustion processes and soot formation characteristics in the reaction flow field.

Prediction of NOx Formation Characteristics in Turbulent Nonpremixed Hydrogen-Air Jet Flames (비예혼합 수소-공기 난류제트화염내의 NOx 생성특성 예측)

  • Kim, S.K.;Kim, Y.M.;Ahn, K.Y.;Oh, K.S.
    • 한국연소학회:학술대회논문집
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    • 1998.10a
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    • pp.165-170
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    • 1998
  • Turbulent nonpremixed $H_2$-air jet flames are numerically investigated using the joint PDF model. The reaction progress variable is derived by assuming the radicals 0, H, and OH to be in partial equilibrium and additional species $HO_2$ and $H_2O_2$ in steady state. The model is extended to npnadiabatic flame by introducing additional variable for the transport of enthalpy and radiative source term is calculated using a local, geometry independent model. In terms of flame structure and NO formation, the predicted results are favorably agreed with experimental data. The effects of nonequilibrium chemistry and radiative heat loss on the thermal NO formation are discussed in detail.

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FORMATION OF KETOACIDS AND AOC DURING OZONATION IN DRINKING WATER

  • Lee, Kyung-Hyuk
    • Environmental Engineering Research
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    • v.11 no.6
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    • pp.293-302
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    • 2006
  • The reaction of ozone with NOM (Natural Organic Matter) can occur by two different pathways: that involving molecular ozone and by way of reactions with hydroxyl radicals which are produced from the decomposition of molecular ozone. As such, the formation of ketoacids and Assimilable Organic Carbon (AOC) can be controlled by controlling the pathway by which ozone reacts with NOM. The ratios of $[OH{\cdot}]/[O_3]$ ($R_{CT}$ values) were determined under the various ozonation conditions. The $R_{CT}$ values increased with increasing initial ozone concentration. The $R_{CT}$ values (ranges from 10 to $35^{\circ}C$) increased linearly as temperature increased (within the range from 10 to $35^{\circ}C$). However, $R_{CT}$ was independent of hydraulic retention time (HRT). Operational conditions were found to affect the formation of AOC. The conditions where the molecular ozone reaction predominated resulted in an increase in the formation of AOC.

Models for Formation of Chloroform by Reaction of Linear Alkylbenzenesulfonate with Free Chlorine (LAS의 염소와 반응에 의한 클로로포름 생성 모델)

  • 김혜태;남상호
    • Environmental Analysis Health and Toxicology
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    • v.13 no.3_4
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    • pp.77-85
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    • 1998
  • It is very frequent that LAS meets the chlorine bleaches not only in the processes but also in the path from the sewages to the rivers. Therefore, it is not difficult to imagine that the harmful substances like DBPs are produced when LAs reacts with free chlorine. THMs are the major components of DBPs which are formed by reactions of organic substances with the chlorine oxidants. Among them, chloroform is the most noteworthy material. Since the major behavior observed was the formation of chloroform during reaction of LAS with free chlorine, the models were developed to grasp the tendency of chloroform formation depending on condition. According to these models, the effect of pH in the formation of chloroform is most grave.

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Reaction Mechanism of $\alpha$-Diethylaminoacetophenone with Potassium Cyanide and Ammonium Cabonate(II) ($\alpha$-Diethylaminoacetophenone의 시안화칼륨과 탄산암모늄과의 반응 메카니즘 연구(II))

  • 권순경;조정혁
    • YAKHAK HOEJI
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    • v.23 no.3_4
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    • pp.167-171
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    • 1979
  • It is knwon that in the reaction of .alpha.-diethylaminoacetophenone with potassium cyanide and ammonium carbonate in dilute alcohol solution, 5-phenylhydantoin is formed. In this study the mechanism of the reaction by which diethylaminomethyl group is eliminated, was investigated with applying GC/MS-system. From the fragmentation pattern of mass spectrum of the unknwon compound, which has mol peak 112, it was identified as diethylaminoacetonitrile. According to our GC/MS study of the reaction mixture, it seems likely that diethylaminomethyl group is eliminated neither through the alkali degradation of .alpha.-diethylaminoacetophenone to aldehyde nor after the anticipated hydantoin formation. But it is believed that in the course of ring formation through an unidentified mechanism diethylaminomethyl group is eliminated.

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