• Title/Summary/Keyword: 화학 반응기구

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Nucleophilic Substitution at a Carbonyl Carbon Atom (IV). EHT Calculations on Phenyl Chloroformate (카르보닐 탄소원자의 친핵치환 반응 (제4보). Phenyl Chloroformate에 대한 EHT 계산)

  • Lee Ikchoon;Kim, Ui Rak;Lee Myung Jae;Seo, Bae Seok
    • Journal of the Korean Chemical Society
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    • v.18 no.3
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    • pp.175-179
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    • 1974
  • EHT calculation have been carried out on phenyl chloro-thiol, phenyl chloro-thiono and phenyl dithioformates to explain the conformations and reactivity of the compounds. Results of calculation lead us to conclude that the mechanism of SN reaction of these compounds are likely to be the $S_N2$ type and trans form is more stable than cis form for all molecules.

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Characteristics of the Ignition Delay for Hydrocarbon Fuels by Reduced Chemical Kinetics Modeling (축소 화학반응 모델링에 의한 탄화수소 연료의 점화지연 특성)

  • 김형욱;배상수;민경덕
    • Transactions of the Korean Society of Automotive Engineers
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    • v.9 no.4
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    • pp.44-49
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    • 2001
  • Reduced chemical kinetics mechanism has been derived, which can be applicable for autoignition model of hydrocarbon fuels, and contains 23 reactions and 18 species. The present model is validated with the experimental data, where the ignition delays of several hydrocarbon fuels, such as n-heptane, i-octane, n-decane and DME(dimethylether) are measured as equivalence ratios are varied. Especially, the effects of different fuels on ignition delays can be explained by changing the rate constants of three reactions among the present model. As a result, the proposed model can be applicable to two stage ignition model of Diesel combustion.

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Diamond Thin Film Technology (다이아몬드 박막기술)

  • Lee, Jiwha
    • Applied Chemistry for Engineering
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    • v.1 no.1
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    • pp.11-22
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    • 1990
  • Chemical vapor deposition of diamond under metastable conditions(low pressure and temperature) developed in the eighties is now an emerging technology for diamond coatings. In this article, various CVD methods are described with their advantages and limitations. The reaction mechanisms and the possible role of H atoms involved in the diamond film growth process are briefly reviewed. Also mentioned are the future research area and the prospect of applications.

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Reaction Scheme on the Direct Synthesis of Methylchlorosilanes (Methylchlorosilanes의 직접 생산 반응에서 반응기구)

  • Kim, Jong Pal;Lee, Kwang Hyun
    • Korean Chemical Engineering Research
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    • v.56 no.2
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    • pp.291-296
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    • 2018
  • Direct synthesis of methylchlorosilanes was developed by Rochow with addition of copper on the silicon surface as a catalyst and many research were followed. Most of research were focused on the increase of reaction activity through addition of promoters and concentrated on the increase of selectivity of DMDC. However, there are very few studies about the reaction mechanism. Although formation of DMDC was explained in literature, formation of other silanes were not mentioned at all. This reseach focused on the explanation about formation of all silanes obtained during direct reaction and TPD. Reaction paths were proposed by means of dissociative adsorption of methyl chloride and spillover of surface Cl and H. Surface silicon sites were considered as $=SlCl_2$ and $=Sl(CH_3)Cl$. The synthesis of all methylchlorosilanes were explained by the adsorption of methyl group on the silicon sites and by the surface diffusion of nearby Cl and H. The proposed reaction mechanism explains the formation of all silanes during the reaction and also during the TPD process.

암모늄 우라닐 나이트레이트의 열분해 및 환원반응

  • 김병호;조병렬;최윤동;박진호;황성태;문재철;이기영
    • Proceedings of the Korean Nuclear Society Conference
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    • 1996.05c
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    • pp.46-51
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    • 1996
  • 본 연구는 MDD(modified direct denitration)공정의 주 우라늄염인 암노늄 우라닐 나이트레이트의 화학특성을 밝히고 이들 화합물의 열분해 및 환원반응의 반응기구에 대하여 조사되었다. 암모늄 우라닐 나이트레이트는 제조 조건에 따라 N $H_4$$UO_2$N $O_3$와 (N $H_4$)$_2$$UO_2$(N $O_3$)$_4$.2$H_2O$의 두가지 형태의 복염으로 존재함이 화학 및 원소분석, X산 회절 분석, 그리고 적외선 분광분석에 의하여 확인되었다. 암모늄 우라닐 나이트레이트는 질소분위기에서 N $H_4$$UO_2$(N $O_3$)$_3$$\longrightarrow$ Amorphous $UO_3$$\longrightarrow$ a-$UO_3$$\longrightarrow$ U$_3$ $O_{8}$$\longrightarrow$ $\alpha$-U$_3$ $O_{8}$의 경로를 따라서 열분해 되며, 수소분위기에서는 N $H_4$$UO_2$(N $O_3$)$_3$$\longrightarrow$ $UO_3$$\longrightarrow$ U$_3$ $O_{8}$$\longrightarrow$ U$_4$ $O_{9}$ $\longrightarrow$ $UO_2$의 경로로 환원되었다.

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Electrochemical Behaviors of Copper-1-(2-pyridylazo)-2-naphthol Complex in Acetonitrile (아세토니트릴 용매 중에서 Copper-1-(2-pyridylazo)-2-naphthol 착물의 전기화학적 성질)

  • Zun-Ung Bae;Sang-O Oh;Hee-Bong Song;Tae-Myung Park
    • Journal of the Korean Chemical Society
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    • v.37 no.10
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    • pp.888-894
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    • 1993
  • The electrochemical behaviors of copper-1-(2-pyridylazo)-2-naphthol(Cu-PAN) complex in acetonitrile (AN) solution have been investigated by the use of cyclic voltammetry, DC-polarography, controlled potential coulometry and UV-Vis spectroscopy. Cu-PAN complex in acetonitrile exhibit three reduction waves at -1.27 V, -1.64 V and -2.08 V vs. Ag/AgNO$_3$(AN). The numbers of electron involved in each reduction step was calculated with controlled potential coulometry, and reduction product was identified with UV-Vis spectrum. As the result, we proposed the reduction mechanism of the Cu-PAN complex in acetonitrile.

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Numerical Analysis on the Autoignition of Hydrogen/Air Mixture Near a Hot Surface (고온벽면에 의한 수소-공기 예혼합기체의 자연발화에 관한 수치적 해석)

  • 박은성;백승욱
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.16 no.1
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    • pp.70-76
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    • 1992
  • Ignition of hydrogen-air premixed gas in the vicinity of a hot surface has been investigated. Especially multistep reaction model was compared with a single reaction model. It was found that the multistep model with 48 step elementary chemical reactions produced a phenomenologically reasonable trend in ignition delays. The ignition d(2lays increase as the mixture becomes either fuel-rich or fuel-lean with a minimum near the stoichiometric value. The minimum surface temperature has been deduced by extrapolating predicted ignition delays. It was in quite good agreement with the experimental data.

Study on the Reaction Schemes of the Oxidative Stabilization of PVC Pitch (PVC 핏치의 안정화 반응기구에 관한 연구)

  • Ha, Heon-Seung;Yuk, Jong-Il;Lee, Seung-Gu;O, In-Seok;Kim, Jeong-Il;Ju, Hyeok-Jong
    • Korean Journal of Materials Research
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    • v.7 no.11
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    • pp.957-963
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    • 1997
  • PVC 핏치를 산소분위기에서 안정화시킬 때 발생되는 화학반응 기구를 열중량 분석 및 FT-IR을 이용하여 규명하였다. PVC 핏치를 안정화시킬 \ulcorner 초기에 가속화현상이 이러나서 핏치내에 반응성이 강한 메칠기(-CH/ sub 3/)나 메칠렌기(-CH$_{2}$-)등이 산소와 반응하여 카보닐기(C=O)를 생성하면서 급격한 무게증가 현상이 발생하였다. 이때의 생성물들은 알데히드(aldehyde), 케톤(ketone), 알코올(alcohol)이며, 물 (H$_{2}$O)이 부산물로 발생된다. 이 가속화 현상에 의해 핏치내의 메칠기와 메칠렌기는 안정화 초기단계에서 대부분 산화되어 없어졌다. 안정화시간이 길어짐에 따라 생성된 알데히드나 일차 알코올의 산화가 발생하여 카르복실산(carboxylic acid)을 생성하고, 에테르 결합도 생성되었다. 이때에도 무게증가 현상이 발생하지만, 초기의 급격한 무게증가와는 달리 그 증가속도가 느리고, 시간이 경과함에 따라 증가속도는 더욱 느려졌다. 그리고, 안정화온도가 높고 안정화시간이 긴경우에는,카르복실산들의 탈수반응으로 인한 방향족 무수화물(aromatic anhydride)이 생성되었다. 29$0^{\circ}C$에서 24시간 안정화시킨 경우, 무게감소가 발생했는데, 이것은 카르복실산의 탈카르복실화(decarboxylation)반응에 의해 CO$_{2}$가 발생되었기 때문이다. 그리고, 안정화 온도가 높을수록 안정화에 무게증가의 최대값과 방향족 무수화물이 발생되는 무게증가 값이 작아지고, 안정화 초기단계에서 나타나는 가속화 현상의 구간도 짧아졌다.

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Reduction behavior of Zn, Pb, Cl, Fe, Cu and Cd compounds in EAF dust with carbon (탄소에 의한 전기로 분진 중 Zn, Pb, Cl, Fe, Cu 및 Cd화합물의 환원반응)

  • 이재운;김영진;서성규;이광학;김영홍
    • Resources Recycling
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    • v.9 no.4
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    • pp.3-15
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    • 2000
  • Reduction of Electric Arc Furnace dust with carbon (graphite) was studied at the temperature range of $800^{\circ}C$ to $1100^{\circ}C$ in Ar gas atmosphere. The briquetted dust with graphite powder was heated in a vertical tube furnace for given reaction time and Quenched in Ar gas atmosphere. It was found that initially the reduction of Zn was chemically controlled and the activation energy was about 120 KJ/mole. Because the almost all of Pb was removed with Cl in the form of $PbCl_2$, it is considered that Pb is removed by chloride reduction. Cu was vaporized as a chloride up to 30% of its original content, but the remaining of Cu would be accumulated with the reduced iron. and also, Cd was removed completely within 15 min. at $1000^{\circ}C$.

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Fabrication of CVD SiC Double Layer Structure from the Microstructural Change Through Input Gas Ratio (입력기체비를 이용한 미세구조 변화로부터 화학증착 탄화규소의 복층구조 제작)

  • 오정환;왕채현;최두진;송휴섭
    • Journal of the Korean Ceramic Society
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    • v.36 no.9
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    • pp.937-945
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    • 1999
  • In an effort to protect a RBSC(reaction -bonded SiC) tube SiC films from methyltrichlorosilane(MTS) by low pressure chemical vapor deposition were deposited in hydrogen atmosphere on the RBSC(reaction-bonded SiC) substrates over a range of input gas ratio(${\alpha}=P_{H2}/P_{MTS}=Q_{H2}/Q_{MTS}$=1 to 10) and deposition temperatures(T=1050~1300$^{\circ}C$). At the temper-ature of 1250$^{\circ}C$ the growth rate of SiC films increased and then decreased with decreasing the input gas ratio. The microstructure of SiC films was changed from granular type structure exhibiting (111) preferred orientation in the high input gas ratios to faceted columnar grain structure showing (220) in the low input gas ratios. The similar microstructure change was obtained by increasing the deposition temperature. These results were closely related to a change of deposition mechanism. Double layer structure having granular type and faceted ciolumnar grain structure from the manipulation of mechanism. Double layer structure having granular type and faceted columnar grain structure from the manipulation of the input gas ratio without changing the deposition temperatue was successfully fabricated through in -site process.

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