• Title/Summary/Keyword: Reaction Mechanism Reduction

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A Study on the Reduction of Reaction Mechanism for the Ignition of Dimethyl Ether (디메틸 에테르 착화에 관한 반응기구 축소 연구)

  • Ryu, Bong-Woo;Park, Sung-Wook;Lee, Chang-Sik
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.35 no.1
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    • pp.75-82
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    • 2011
  • The numerical analysis of the reduction of reaction mechanism for the ignition of dimethyl ether (DME) was performed. On the basis of a detailed reaction mechanism involving 79 species and 351 reactions, the peak molar concentration and sensitivity analysis were conducted in a homogeneous reactor model. The reduced reaction mechanism involving 44 species and 166 reactions at the threshold value $7.5{\times}10^{-5}$ of the molar peak concentration was established by comparing the ignition delays the reduced mechanism with those the detailed mechanism. The predicted results of the reduced mechanism applied to the single-zone homogeneous charge compression ignition (HCCI) engine model were in agreement with those of the detailed mechanism. Therefore, this reduced mechanism can be used to accurately simulate the ignition and combustion process of compression ignition engine using DME fuel.

Mechanism of the Electrode Reduction of Cupferron in Neutral and Alkaline Media (중성 및 알카리성수용액에서 Cupferron 의 전극환원메카니즘)

  • Hwang, Kum-Sho;Hwang, Jung-Ui
    • Journal of the Korean Society of Fisheries and Ocean Technology
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    • v.11 no.1
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    • pp.32-55
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    • 1975
  • The ammonium salt of N-Nitrosophenylhydroxiamine, namely Cupferron, is a well-known analytical reagent which precipitates a great number of metal ions in acid medium. Various structures of electrode reduction for N-Nitrosophenylhydroxiamine have been suggested in acid and alkaline media by many researchers, but not in neutral medium. So the mechanism of electrode reaction of Cupferron was investigated by both chronopotentiometric and polarographic methods. It was estimated that the reduction of Cupferron occurs in a three-step mechanism through which a chemical step is interposed between two charge transfer, the ECE (charge transfer-chemical reaction-charge transfer) mechanism, over a range of neutral and alkaline media. The chemical reaction of the process was assumed to be acid-base catalyzed from the fact that kapp (over all rate constant) of chemical reaction is pH dependent.

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A Study on the Examination of Reaction Mechanism for Molten Salt Electrolysis of Titanium Dioxide (이산화타이타늄의 용융염 전기분해 반응기구 규명에 관한 연구)

  • Jo, Sung-Koo;Jung, Jae-Young
    • Korean Journal of Metals and Materials
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    • v.47 no.3
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    • pp.182-187
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    • 2009
  • The molten salt electrolysis is applied to reduce titanium dioxide to titanium metal using calcium chloride as an electrolyte and the reaction mechanism of the reduction process is examined by analyzing the reaction products. The process conditions to obtain titanium metal for $900^{\circ}C$ correspond to 2.9~3.2 V and 24 hours. The reaction products for 2.9 V at $900^{\circ}C$ include irregular-shaped titanium oxides such as $Ti_4O_7$, $Ti_3O_5$ and $Ti_2O_3$ and polyhedral $CaTiO_3$. Using these microstructure analysis, the sequential reaction mechanism for the electrochemical reduction of titanium dioxide to titanium is proposed.

Synthesis of Silicon Carbide Whiskers (I) : Reaction Mechanism and Rate-Controlling Reaction (탄화규소 휘스커의 합성(I) : 반응기구의 율속반응)

  • 최헌진;이준근
    • Journal of the Korean Ceramic Society
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    • v.35 no.12
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    • pp.1329-1336
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    • 1998
  • A twt -step carbothermal reduction scheme has been employed for the synthesis of SiC whiskers in an Ar or a H2 atmosphere via vapor-solid two-stage and vapor-liquid-solid growth mechanism respectively. It has been shown that the whisker growth proceed through the following reaction mechanism in an Ar at-mosphere : SiO2(S)+C(s)-SiO(v)+CO(v) SiO(v)3CO(v)=SiC(s)whisker+2CO2(v) 2C(s)+2CO2(v)=4CO(v) the third reaction appears to be the rate-controlling reaction since the overall reaction rates are dominated by the carbon which is participated in this reaction. The whisker growth proceeded through the following reaction mechaism in a H2 atmosphere : SiO2(s)+C(s)=SiO(v)+CO(v) 2C(s)+4H2(v)=2CH4(v) SiO(v)+2CH4(v)=SiC(s)whisker+CO(v)+4H2(v) The first reaction appears to be the rate-controlling reaction since the overall reaction rates are enhanced byincreasing the SiO vapor generation rate.

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The Development of a Short Reaction Mechanism for Premixed CH4/CHF3/Air Flames (CH4/CHF3/Air 예혼합 화염의 축소 반응 메카니즘 개발)

  • Lee, Ki Yong
    • Journal of the Korean Society of Combustion
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    • v.19 no.1
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    • pp.39-44
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    • 2014
  • A short reaction mechanism for premixed $CH_4/CHF_3/Air$ flames was developed with a reduction method of the combined application of simulation error minimization (SEM) which included connectivity method and principal component analysis. It consisted of 43 species and 403 elementary reactions at the condition of less than 5% of maximum error. The calculation time operated with a short mechanism was over 5 times faster than one with a detailed reaction mechanism. Good agreement was found between the flame speeds calculated by the short reaction mechanism and those by the detailed reaction mechanism for the entire range of $CHF_3/CH_4$ mole ratios and equivalence ratios. In addition excellent agreements were determined for the profiles of temperature, species concentration, and the production rates of the various species. So the short reaction mechanism was able to accurately predict the flame structure for premixed $CH_4/CHF_3/Air$ flames.

Chemical Mechanism Reduction and Validation of Methyl Butanoate by Automatic Reduction Procedure (Methyl Butanoate의 상세 화학 반응 메커니즘 자동 축소화를 통한 기초 반응 메커니즘의 생성 및 검증)

  • Lee, Youngjae;Huh, Kang Y.
    • Journal of the Korean Society of Combustion
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    • v.21 no.3
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    • pp.16-23
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    • 2016
  • In this study, skeletal mechanisms are produced by directed relation graph with specified threshold value and sensitivity analysis based on species database from the directed relation graph. Skeletal mechanism is optimized through the elimination of unimportant reaction steps by computational singular perturbation importance index. Reduction is performed for the detailed mechanism of methyl butanoate consisting of 264 species and 1219 elementary reactions. Validation shows acceptable agreement for auto-ignition delays in wide parametric ranges of pressure, temperature and equivalence ratio. Methyl butanoate has been proposed as a simple biodiesel surrogate although the alkyl chain consists of four carbon atoms. The resulting surrogate mechanism for n-heptane and MB consists of 76 species and 226 reaction steps including those for NOx.

Synthesis of Silicon Carbide Whiskers (I) : Reaction Mechanism and Rate-Controlling Reaction (탄화규소 휘스커의 합성(I) : 반응기구의 율속반응)

  • 최헌진;이준근
    • Journal of the Korean Ceramic Society
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    • v.35 no.12
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    • pp.1336-1336
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    • 1998
  • A twt -step carbothermal reduction scheme has been employed for the synthesis of SiC whiskers in an Ar or a H2 atmosphere via vapor-solid two-stage and vapor-liquid-solid growth mechanism respectively. It has been shown that the whisker growth proceed through the following reaction mechanism in an Ar at-mosphere : SiO2(S)+C(s)-SiO(v)+CO(v) SiO(v)3CO(v)=SiC(s)whisker+2CO2(v) 2C(s)+2CO2(v)=4CO(v) the third reaction appears to be the rate-controlling reaction since the overall reaction rates are dominated by the carbon which is participated in this reaction. The whisker growth proceeded through the following reaction mechaism in a H2 atmosphere : SiO2(s)+C(s)=SiO(v)+CO(v) 2C(s)+4H2(v)=2CH4(v) SiO(v)+2CH4(v)=SiC(s)whisker+CO(v)+4H2(v) The first reaction appears to be the rate-controlling reaction since the overall reaction rates are enhanced byincreasing the SiO vapor generation rate.

The Role of Lattice Oxygen in the Selective Catalytic Reduction of NOx on V2O5/TiO2 Catalysts (V2O5/TiO2 촉매의 선택적 환원촉매반응에서 격자산소의 역할)

  • Ha, Heon-Phil;Choi, Hee-Lack
    • Korean Journal of Materials Research
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    • v.16 no.5
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    • pp.323-328
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    • 2006
  • In situ electrical conductivity measurements on $V_2O_5WO_3/TiO_2$ catalysts were carried out at between 100 and $300^{\circ}C$ under pure oxygen, NO and $NH_3$ to investigate the reaction mechanism for ammonia SCR (selective catalytic reduction) de NOX. The electrical conductivity of catalysts changed irregularly with supply of NO. It was, however, found that the electrical conductivity change with ammonia supply was regular and the increase of electrical conductivity was mainly caused by reduction of the labile surface oxygen. The electrical conductivity change of catalysts showed close relationship with the conversion rate of NOx. Variation of conversion rate in atmosphere without gaseous oxygen also showed that labile lattice oxygen is indispensable in the initial stage of the de NOx reaction. These results suggest that liable lattice oxygen acts decisive role in the de NOx mechanism. They also support that de NOx reaction occurs through the Eley?Rideal type mechanism. The amount of labile oxygen can be estimated from the measurement of electrical conductivity change for catalysts with ammonia supply. This suggests that measurement of the change can be used as a measure of the de NOx performance.

Synthesis of $\beta$-SiC Whiskers by the Carbothermal Reduction of Kaolin (카올린의 환원 열탄화법에 의한 베타 탄화규소 휘스커의 합성)

  • 오세정;류종화;조원승;최상욱
    • Journal of the Korean Ceramic Society
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    • v.35 no.12
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    • pp.1249-1256
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    • 1998
  • ${\beta}$-Silicon carbide(${\beta}$-SiC) whiskers could be synthesized by the carbothermal reduction of kaolin at tem-peratures between 1400 and 1500$^{\circ}C$. The whiskers were grown up to about 1150 of aspect ratio by VS mechanism (showing tapering tips) and to about 45 of that by VLS mechanism (showing round droplet tips) respectively. Hydrocarbon like methane in the reaction atmosphere promoted the formation of gaseous il-icon monoxide(SiO) from silicon dioxide(SiO2) and subsequently reacted with it to form whiskers. The for-mation of ${\beta}$-SiC whiskers increased with increasing carbon content(to 30 wt%) and reaction temperatures. The max. yield of ${\beta}$-SiC whiskers was 15% at 1500$^{\circ}C$ under 20%CH4/80%H2.

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