• 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.

• Journal of the Korean Chemical Society
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• v.49 no.6
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• pp.554-559
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• 2005

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.1 no.1
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• pp.25-39
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• 2003

This study proposed a new electrolytic reduction technology that is based on the integration of simultaneous uranium oxide metallization and Li$_2$O electrowinning. In this electrolytic reduction reaction, electrolytically reduced Li deposits on cathode and simultaneously reacts with uranium oxides to produce uranium metal showing more than 99% conversion. For the verification of process feasibility, the experiments to obtain basic data on the metallization of uranium oxide, investigation of reaction mechanism, the characteristics of closed recycle of Li$_2$O and mass transfer were carried out. This evolutionary electrolytic reduction technology would give benefits over the conventional Li-reduction process improving economic viability such as: avoidance of handling of chemically active Li-LiCl molten salt increase of metallization yield, and simplification of process.

• Journal of the Korean Vacuum Society
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• v.2 no.3
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• pp.360-367
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• 1993

텅스텐 박막 증착의 메카니즘을 밝히기 위하여 먼저 SiH4와 WF6의 열분해 반응에 관한 열역학적 결과들과 표면 촉매 반응에 대한 이론적인 결과들을 고찰하였다. 실험적으론 저압 화학기상 증착법을 이용하여 WF6를 SiH4로 환원시켜 텅스텐 박막을 Si(100) 기판위에 증착하였으며 증착반응 중의 기판 표면의 변화를 in-situ로 측정하였다. 증착 메카니즘을 밝히기 위하여 반응기체를 WF6, SiH4, WF6＋SiH4, WF6$\longrightarrow$SiH4$\longrightarrow$WF6＋SiH4로 달리하여 반응시켰으며 그 때의 박막 특성과 표면 및 단면 형상을 측정하였다. 이론적인 고찰과 실험적인 결과들로부터 텅스텐 박막은 먼저 Si 기판에 의한 WF6의 환원반응으로 인한 증착과 이어서 SiH4에 의한 WF6의 환원으로 증착됨을 밝혔다.

• Proceedings of the Korea Air Pollution Research Association Conference
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• 2003.11a
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• pp.455-456
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• 2003

광화학 스모그 현상을 재현하기 위한 메카니즘은 약 20,000개의 반응식과 수천개의 종이 포함되어야 하므로 자세한 반응 메카니즘을 포함하는 데는 한계가 있다(Dodge, 2000). 최근에 morphecule이라 부르는 대리종(surrogates)을 사용하는 방법(morphecule approach)이 개발되었다. 이 메카니즘은 반응 속도, 생성율, 생성물의 형태를 포함하여 lumped surrogates와 관련된 인자들이 모사하는 전체 시간 중 각 t시간 동안 일정하고 그 시간이후에는 인자들이 변화한다고 가정한다. 또한 특성이 비슷한 유기 화합물의 다양한 그룹을 표현할 때 morphecule이라 부르는 특정 화학종들을 사용한다. (중략)

• Proceedings of the Materials Research Society of Korea Conference
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• 2009.05a
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• pp.22.1-22.1
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• 2009

차세대 CMOS 공정에서 유전상수가 높은 게이트 절연막과 함께 게이트 전극이 관심을 끌고 있다. 게이트 전극은 전도도가 높아야 하고 p-MOS, n-MOS에 맞는 일함수를 가져야 하며 열적 특성이 안정해야 한다. 탄탈룸 계열 탄화물이나 질화물은 게이트 전극으로 관심을 끌고 있는 물질이며 이를 원자층 화학증착법으로 박막화 하는 공정이 관심을 끌고 있다. 원자층 화학공정에서는 전구체의 역할이 중요하며 이의 기상반응 메카니즘, 표면 반응 메카니즘을 제대로 이해해야 한다. 본 연구에서는 TBTDET (tert-butylimido tris-diethylamido tantalum) 전구체의 반응 메커니즘을 FTIR(Fourier Transform Infrared)을 이용해 진단하였다. 또한 수소, 암모니아, 메탄을 이용한 열화학 원자층 증착, 플라즈마 원자층 증착 공정을 수행하여 박막을 얻고 이들의 특성을 평가하였다. 각 공정에 따라 반응 메커니즘이 달라지고 박막의 조성이 달라지며 또한 박막의 물성도 달라진다. 특히 박막에 형성되는 TaC, TaN, Ta3N5, Ta2O5 (증착 후 산소의 유입에 의해 형성됨) 등의 조성이 공정에 따라 달라지며 박막의 물성도 달라진다. 반응메카니즘의 연구를 통해 각 공정에서 어떠한 조성의 박막이 얻어지는 지를 규명하였고 박막의 밀도에 따라 산소유입량이 어떻게 달라지는 지를 규명하였다.

• Journal of the Korean Chemical Society
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• v.22 no.5
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• pp.281-288
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• 1978

Pseudo-first order rate constants $k_{obs}$ were determined for the reactions of naphthalenesulfonyl chlorides (1-NSC and 2-NSC) and anilines. The second order rate constant $k_2$ and third order catalytic $k_3$ were then determined from $k_{obs}$. For 1-NSC peri-hydrogen effect was observed. The large Brønsted ${\beta}$ and large negative slopes ${\rho}$ for the Hammett plots were obtained. These results with the unsually low values of activation parameters were consistent with the $S_AN$-elimination mechanism, but these can be equally well interpreted with the associative $S_N2$mechanism.

• Journal of the Korean Chemical Society
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• v.16 no.5
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• pp.284-289
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• 1972

Rates of the reactions of m-and p-ring-substituted thiobenzamides with benzyl bromide in acetone have been determined by an electric conductivity method. The Hammett rule has been adopted for these reactions. It has been observed that an electron-attracting substituent accelerates the reaction while an electron-donating substituent retards the reaction, and a mechanism which accounts for the observed kinetics has been postulated. The activation energies and entropies of activation for these reactions have also been calculated.

• Journal of the Korean Chemical Society
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• v.41 no.4
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• pp.198-204
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• 1997

The rate constants for the hydrolysis of N-(2,4-dinitrophenyl)benzhydrazonyl bromide and its derivatives were determined by ultraviolet visible spectrophotometry at 20$^{\circ}C$ and a rate equation which could be applied over a wide pH range was obtained. On the basis of rate equations derived and judging from the solvent effect, substituent effect, salt effect, thermodynamic parameter, plausible mechanisms of hydrolysis have been proposed. It may be concluded that the hydrolysis through SN1 mechanism via carbonium ion intermdiate to pH 3.0, and pH 10.0, the hydrolysis proceeds through 1,3-dipolar or SN2 mechanism.

• Journal of the Korean Chemical Society
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• v.33 no.3
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• pp.309-314
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• 1989

A kinetic study was carried out for the redox reaction of cis-$[Co(en)_2(N_3)_2]^+$ with Fe(II) in acidic solution by spectrophotometric methods. This redox reaction system have been found to show a third order for overall reaction as the respective first order with respect to reactant cis-$[Co(en)_2(N_3)_2]^+$, Fe(II), and $H^+$ catalyst. The activation parameters, ${\Delta}H^{\neq}$ and ${\Delta}S^{\neq}$, were obtained as 14.2Kcal/mol and -16.7 e.u., respectively. On the basis of the kinetic data, we suggest that the redox reaction system proceeds via inner sphere mechanism. The rate equation derived from the proposed mechanism is in agreement with the observed rate equation.