• Title/Summary/Keyword: reaction mechanism

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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.

Study of reaction mechanism in pre-reforming for MCFC (MCFC의 예비 개질 반응 메커니즘 연구)

  • Lee, Woo-Hyung;Park, Yong-Ki
    • Industry Promotion Research
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    • v.3 no.2
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    • pp.1-8
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    • 2018
  • In this study, the reaction mechanism of ethane and the reaction rate equation suitable for hydrocarbon reforming were studied. Through the reaction mechanism analysis, it was confirmed that three reactions (CO2 + H2, C2H6 + H2, C2H6 + H2O) proceed during the reforming reaction of ethane, each reaction rate (CO2+H2($r=3.42{\times}10-5molgcat.-1\;s-1$), C2H6+H2($r=3.18{\times}10-5mol\;gcat.-1s-1$), C2H6+H2O($r=1.84{\times}10-5mol\;gcat.-1s-1$)) was determined. It was confirmed that the C2H6 + H2O reaction was a rate determining step (RDS). And the reaction equation of this reaction can be expressed as r = kS * (KAKBPC2H6PH2O) / (1 + KAPC2H6 + KBPH2O) (KA = 2.052, KB = 6.384, $kS=0.189{\times}10-2$) through the Langmuir-Hinshelwood model. The obtained equation was compared with the derived power rate law without regard to the reaction mechanism and the power rate law was relatively similar fitting in the narrow concentration change region (about 2.5-4% of ethane, about 60-75% of water) It was confirmed that the LH model reaction equation based on the reaction mechanism shows a similar value to the experimental value in the wide concentration change region.

Short Reaction Mechanism for Premixed CH4-Air Flames at High Pressure (고압에서 예혼합 CH4-Air 화염의 축소 반응 메카니즘)

  • Lee, Su-Gak;Lee, Ki-Yong
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.36 no.6
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    • pp.647-653
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    • 2012
  • A short reaction mechanism for premixed $CH_4$-air flames at high pressure was developed using a reduction method based on the combined application of the simulation error minimization connectivity method and the iterative species-removal sensitivity method. It consisted of 43 species and 554 elementary reactions under the condition that it produces less than 5% of the maximum error. The flame structures obtained using a detailed reaction mechanism and the short reaction mechanism were compared for $CH_4$-air flames with various initial temperatures and equivalence ratios at high pressure, and the results were in good agreement. Therefore, the short reaction mechanism developed could reproduce the flame speeds, temperatures, and concentrations of major and minor species at high pressure.

Development of a Detailed Chemical Kinetic Reaction Mechanism of Surrogate Mixtures for Gasoline Fuel (가솔린 연료를 위한 대용혼합물의 상세한 화학반응 메카니즘 개발)

  • Lee, Ki-Yong
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.33 no.1
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    • pp.46-52
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    • 2009
  • The oxidation of surrogate mixtures for gasoline fuel was studied numerically in perfectly stirred reactor(PSR) to develope the needed detailed reaction mechanism. The reaction mechanism was assembled with the mechanisms for the oxidation of iso-octane or kerosene. It was shown that the reaction model predicted reasonably well the concentration profiles of fuel and major species reported in the literature. As the addition of kerosene into iso-octane as fuel was increased, the concentrations of $C_2H_2$ and benzene became high. Especially benzene known as a carcinogen appeared at a very high concentration in the flue gases.

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.

Kinetic Study on Aminolysis of Phenyl 2-Pyridyl Carbonate in Acetonitrile: Effect of Intramolecular H-bonding Interaction on Reactivity and Reaction Mechanism

  • Song, Ji-Hyun;Lee, Jae-In;Um, Ik-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.2081-2085
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    • 2014
  • Second-order rate constants ($k_N$) have been measured spectrophotometrically for the reactions of phenyl 2- pyridyl carbonate (6) with a series of cyclic secondary amines in MeCN at $25.0{\pm}0.1^{\circ}C$. The Br${\o}$nsted-type plot for the reaction of 6 is linear with ${\beta}_{nuc}$ = 0.54, which is typical for reactions reported previously to proceed through a concerted mechanism. Substrate 6 is over $10^3$ times more reactive than 2-pyridyl benzoate (5), although the reactions of 6 and 5 proceed through the same mechanism. A combination of steric hindrance, inductive effect and resonance contribution is responsible for the kinetic results. The reactions of 6 and 5 proceed through a cyclic transition state (TS) in which H-bonding interactions increase the nucleofugality of the leaving group (i.e., 2-pyridiniumoxide). The enhanced nucleofugality forces the reactions of 6 and 5 to proceed through a concerted mechanism. In contrast, the corresponding reaction of 4-nitrophenyl 2-pyridyl carbonate (7) proceeds through a stepwise mechanism with quantitative liberation of 4-nitrophenoxide ion as the leaving group, indicating that replacement of the 4-nitrophenoxy group in 7 by the PhO group in 6 changes the reaction mechanism (i.e., from a stepwise mechanism to a concerted pathway) as well as the leaving group (i.e., from 4-nitrophenoxide to 2-pyridiniumoxide). The strong electron-withdrawing ability of the 4-nitrophenoxy group in 7 inhibits formation of a H-bonded cyclic TS. The presence or absence of a H-bonded cyclic TS governs the reaction mechanism (i.e., a concerted or stepwise mechanism) as well as the leaving group (i.e., 2-pyridiniumoxide or 4-nitrophenoxide).

Photochemical and Thermal Reaction Mechanism for the Reaction of Carcinogenic Molecules and Food Reservatives (발암성 분자와 식품보존제의 광화학 및 열적 반응메카니즘)

  • 김민식;채기수;김갑순;성대동
    • The Korean Journal of Food And Nutrition
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    • v.11 no.3
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    • pp.267-271
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    • 1998
  • The photochemical carcinogenic reaction mechanism and molecular carcinogenic intensity through the reaction of dibromo carbene and diazomethane with dehydroacetic acid and coumarin have been studied under the two kinds of photolysis. The reaction intensities show the degree of carcinogenic activity. Under the condition of UV/vis light source, the yield of high toxic carcinogenetic carbene intermediate is produced less than those of the laser flash photolysis.

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Synthesis of 4-Phenyltetralone Derivatives and Reaction Mechanism

  • Kwon, Soon-Kyoung;Park, Young-Nam
    • Archives of Pharmacal Research
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    • v.23 no.4
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    • pp.329-331
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    • 2000
  • 4-(p-Chlorophenyl)tetralone (6) and 7-chloro-5-(p-chlorophenyl)tetralone (9) are key intermediates for the development of benzazepinone derivative haftens. These compounds could be synthesized from 4-phenyltetralone derivatives by triflic acid catalyzed Friedel-Crafts reaction. The reaction mechanism of Friedel-Crafts alkylation/acylation with lactones in triflic acid is presented. According to our tentative research, ring opening of protonated lactone (2) occurs in alkyl cleavage and the rate of the reaction is not dependent on concentration of triflic acid. So, alkylation of lactone in Friedel-Crafts reaction is presumed to be $A_{AL}$ 1. In second step, intramolecular acylation of the intermediates 4 to 6, 4 can be transformed to a triflic acid-carboxylic anhydride and then the cyclization is undergone after leaving of the triflate anion.

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A Passive Reaction Force Compensation Mechanism for a Linear Motor Motion Stage using an Additional Movable Mass (추가 이동 질량을 이용한 선형 모터용 반발력 보상 기구)

  • Nguyen, DucCanh;Ahn, HyeongJoon
    • Journal of the Korean Society for Precision Engineering
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    • v.31 no.10
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    • pp.929-934
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    • 2014
  • Reaction force compensation (RFC) mechanism can relieve the vibration of base system caused by acceleration and deceleration of mover. In this paper, we propose a new passive RFC mechanism with a movable additional mass to reduce vibration of the system base as well as displacement of the magnet track. First, equation of motion for the new passive RFC mechanism is derived and simulated to tune design parameters such as masses and spring coefficients. Simulation results show that the vibration of the system base of the stage with the new RFC mechanism.