• 폴리머
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• 제25권1호
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• pp.25-32
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• 2001

${\circ}C$ 범위에서 아연과 망간촉매를 사용하여 에스테르 교환반응시켜 반응속도를 살펴보았다. 반응은 반회분식 반응기에서 비등온 조건으로 진행되었고 반응온도와 메탄올 유출량으로 반응성을 평가하였다. 반응모델로서는 관능기 모델과 분자종 모델을 적용하여 상호 비교하였다. 아연촉매를 사용할 경우 DMN과 EG의 반응속도는 methyl hydroxyethyl naphthalate(MHEN)와 EG의 반응속도에 비해 1.4배정도 였으나 망간촉매를 사용할 경우 4.3배정도로 촉매 종류에 따라 반응성이 크게 차이가 있음을 알 수 있었다. 아연촉매의 경우 DMN 및 MHEN과 EG의 반응에 대한 촉매농도의 반응차수는 1보다 작았으나, 망간촉매의 경우 오히려 1보다 컸다. 활성화에너지는 DMN과 MHEN의 분자종 차이에 관계없이 아연과 망간촉매의 경우 각각 25000, 28750 cal/mol이었다. 두 가지 반응모델을 비교하여 본 결과 분자종 모델이 반응현상을 잘 표현함을 알 수 있었다.

• 한국연소학회지
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• 제5권1호
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• pp.7-18
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• 2000

Numerical simulations of counterflow non-premixed $CH_4/C_2HCl_3/Air$ flames added 8%(by volume) C2HCl3 on the fuel side are conducted at atmospheric pressure using a detailed chemical reaction mechanism in order to understand the effect of strain rates. A detailed sensitivity analysis is also performed in order to assess the relative influence of each reaction on the flame established at a strain rate of 200s-1. The structure of flames (i.e., temperature, velocity, and concentration of species) established at both a strain rate of 150s-1 and 300s-1 are investigated. As the strain rate increases, the "flame zone" is restricted to a narrower range and the position of maximum temperature is shifted to the fuel side. The concentrations of major species, H2O, CO, H2, HCl, Cl2, and Cl are decreased with increased strain rate. The reaction involving chlorine, CH4 + Cl $\rightarrow$ CH3 + HCl, instead of the reaction, CH4 + H $\rightarrow$ CH3 + H2 influences the consumption of methane. C2HCl3 + OH $\rightarrow$ CHCl2 + CHOCl and HCl + OH $\rightarrow$ H2O + Cl, are major reactions, through which OH radicals are consumed.

• 한국연소학회지
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• 제19권1호
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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.

• Bulletin of the Korean Chemical Society
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• 제32권3호
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• pp.964-972
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• 2011

This work investigated the difference between $Fe^{2+}$ autoxidation-induced and Fenton-type cleavage of pBR322 plasmid DNA. $^{\cdot}OH$ generation reactions in the absence and presence of $H_2O_2$ under various conditions were also investigated. Although both the $Fe^{2+}$ autoxidation and Fenton-type reactions showed DNA cleavage and $^{\cdot}OH$ generation, there were significant differences in their efficiencies and reaction rates. The rate and efficiency of the cleavage reaction were higher in the absence of 1.0 mM of $H_2O_2$ than in its presence in 20 mM phosphate buffer. In contrast, the $^{\cdot}OH$ generation reaction was more prominent in the presence of $H_2O_2$ and showed a pH-independent, fast initial reaction rate, but the rate was decreased in the absence of $H_2O_2$ at across the entire tested pH range. Studies using radical scavengers on DNA cleavage and $^{\cdot}OH$ generation reactions in both the absence and presence of $H_2O_2$ confirmed that both reactions spontaneously involved the active oxygen species $^{\cdot}OH$, ${O_2}^{\cdot-}$, $^1O_2$ and $H_2O_2$, indicating that a similar process may participate in both reactions. Based on the above observations, a new mechanism for the $Fe^{2+}$ autoxidation-induced DNA cleavage reaction is proposed.

• Bulletin of the Korean Chemical Society
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• 제34권1호
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• pp.243-245
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• 2013

Rate equations are exactly solved for the reversible consecutive reaction of the first-order and the time-dependence of concentrations is analytically determined for species in the reaction. With the assumption of pseudo first-order reaction, the calculation applies and determines the concentration of product accurately and explicitly as a function of time in the unimolecular decomposition of Lindemann and in the enzyme catalysis of Michaelis-Menten whose rate laws have been approximated in terms of reactant concentrations by the steady-state approximation.

• 한국안전학회지
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• 제2권1호
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• pp.17-29
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• 1987

The extraction mechanism of Zinc from aqueous solution with D2EHPA (Di-2-Ethylhexyl Phosphoric Acid) dissolved in Kerosene was studied by the single drop method. The effect of the concentrations of reactant species on the extraction rate, Zinc and hydrogen ion in the continuous phase and D2EHPA in the dispersed, was studied for the drop rise period by the experiment. Then a theoretical analysis on the basis of Handlos-Baron modle was carried out. It becomes clear that the extraction rate was controlled by the neutral complex forming reaction at the drop surface from both analysises. From effect of the concentrations of species on the reaction rate, the extraction rate at the drop surface is considered to be as follows. $${\gamma}_{pn}=9.42{\times}10^{-7}\;\frac{[Zn^{2+}][(HR)_2]^{3/2}}{[H^+]^{3/2}}$$

• 폴리머
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• 제26권4호
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• pp.422-430
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• 2002

Antimony trioxide 촉매를 사용하여 241 - $260^{\circ}C$ 범위에서 bishydroxyethyl naphthalate (BHEN)의 축중합 반응에 관한 속도론적 연구를 수행하였다. 반응은 회분식 반응기에서 진행되었고 반응물의 농도는 high performance liquid chromatography (HPLC)를 사용하여 측정하였다. 분자종 모델을 적용하여 구한 반응속도상수의 정반응 및 역반응 활성화 에너지 값은 각각 19.7과 31.4 kcal/mole 이었으며, 평형상수는 1.4-2.0으로 PET 축중합 반응의 경우보다 큰 값을 가지며 온도에 따라 어느 정도 변하였다. 말단기인 hydroxyethyl기의 반응속도는 분자의 크기에 관계없이 일정함을 Flory, 모델식으로부터 확인할 수 있었다. 관능기 모델을 적용한 결과 정반응과 역반응 활성화 에너지 길기 큰 차이가 없었으며, 평형상수는 1.4정도의 값을 가졌다. 관능기 모델로부터 구한 속도상수 값은 분자종 모델로부터 구한 값의 3-4배로서 두 모델이 모두 반응계를 잘 설명하였다. 제안된 분자종 모델이 10개의 분자종을 모두 예측해야 하는 어려움에도 불구하고 실험 결과와 잘 맞음을 알 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제28권11호
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• pp.2034-2040
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• 2007

Efficient catalytic systems, where Ni or Pd is introduced in a supporting material of nanoporous carbon, have been developed for a liquid-phase hydrogenation of carboxylic acids and ketones at room temperature. It has been found that the catalysts reliably show high activities and selectivities for the hydrogenation to alcohols even in acidic conditions, and the catalytic activities depend on the preparative method of catalysts, the hydrogen pressure, the agitation rate, and the catalytic species. The hydrogenation of carboxylic acids and ketones clearly shows that the reaction rate is affected by the electronic and the steric effects, and a plausible reaction mechanism using metal hydrides as catalytic species is proposed.

• 한국전산유체공학회:학술대회논문집
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• 한국전산유체공학회 2003년도 추계 학술대회논문집
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• pp.219-224
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• 2003

An analysis procedure for the MCFC channel flow has been developed to predict the fuel cell performance. As for the electrochemical reaction, among several chemical reaction models, one that fits the data best is adopted after a comprehensive comparative study. The Wavier-Stokes, energy, and species equations are solved to obtain the velocity, temperature and concentration fields for a specified average current density. The procedure is iterative as the local current density, or the reaction rate, is allowed to vary with the gas composition. A series of calculations are then carried out to examine the effects of gas flow rate, gas composition, gas usage rate, inlet gas temperature, and average current density on the fuel cell performance. The fuel cell characteristics, such as the temperature, current density distributions, and the concentration fields, for various operating conditions are presented and discussed.

• Journal of applied mathematics & informatics
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• 제6권1호
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• pp.127-142
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• 1999

This paper develops a methematical model for growth and exploitation of a schooling fish species using a realistic catch-rate function and imposing a tax on the catch to control harvesting. Fishing effort is assumed to depend on the net revenue. The steady states of the system are determined and their local and global stabil-ity are discussed. Taking the tax as a control variable; the optimal harvest policy is formulated and solved as a control problem. The results are illustrated with the help of a numerical example.