• The Science & Technology
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• v.29 no.3 s.322
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• pp.84-85
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• 1996

자연계에 존재하는 물질의 반응방향과 변화거동 측정에 대한 독창적 이론 및 실험법을 개발해 세계 물리화학계의 주목을 받고 있는 서울대 화학과 김명수교수. 김교수는 최근 고분별능 질량분석계에 레이저시스템을 장착한 기기를 사용하여 특수레이저 광분해기술을 개발, 시간분해능을 천배 앞당기는데 성공함에 따라 10-9초동안에 일어나는 이온의 화학반응을 연구할 수 있게 되었다.

• Optical Science and Technology
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• v.8 no.3
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• pp.10-17
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• 2004

화학 반응은 원자나 분자가 서로 작용하여 결합이 분해되거나 생성되는 동적인 과정이다. 일반적으로 이러한 동적인 과정은 매우 빠른 시간 내에 일어나기 때문에 (보통수 펨토초에서 수 피코초 내에 일어난다) 화학 반응 도중에 나타나는 중간체(transient structure)의 구조 변화나 분자의 움직임을 실시간으로 잡기 위해서는 매우 높은 시간 분해능이 필요하다. 이러한 중간체의 구조 동역학(structural dynamics)은 그 대상이 되는 분자의 화학적/생물적 기능에 매우 중요한 정보를 제공하기 때문에 실시간 분자 동역학 연구는 복잡한 화학적/생물적 시스템의 메커니즘 규명 연구에 필수적이라고 할 수 있다. (중략)

• Journal of the Korean Chemical Society
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• v.13 no.4
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• pp.263-272
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• 1969

액체의 상태합을 유도하여 여러 가지 액체들의 적용하여 열역학적 성질들과 점성도를 계산하여여 측정치와의 좋은 일치를 보았다. 그리고 이 상태합을 써서 여러 성분으로 된 액체 용액의 상태합을 얻었으며 나아가서 액체 용액에서의 화학 반응 속도를 구할 수 있음을 보았다.

• Journal of the Korea Society for Simulation
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• v.5 no.1
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• pp.43-50
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• 1996

2-propanol/acetone/hydrogen 반응계로 구성된 화학적 열펌프 시스템은 낮은 온도(82.5~$90^{\circ}C$)에서의 2-propanol의 탈수소화 반응과 높은 온도(약 $200^{\circ}C$ 부근)에서의 acetone의 수소화반응을 이용하여 열을 고품위화 시키는 장치이다. 본 연구에서는 이 시스템의 해석 및 설계를 목적으로 이 시스템에 대한 수치적인 모델들을 세우고 Sequential modular approach를 이용하여 시스템의 모사를 수행하였다. 또한 에너지 효율을 최대화하기 위하여 열펌프 시스템에서의 환류비의 영향을 규명하였다. 모사결과 이 시스템의 scale up을 위한 정량적인 정상상태 운전조건들을 구할수 있었으며 두 반응의 반응 전화율이 다르더라도 반응물의 유량의 차이를 통하여 두 반응열이 거의 같아지는 것을 알수 있었다. 아울러 주어진 운전조건에서 증류의 환류비는 최소환류비 근처의 최적값이 존재함을 알수 있었다.

• Journal of the Institute of Electronics Engineers of Korea SD
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• v.43 no.2 s.344
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• pp.13-17
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• 2006

Pentacene channel for organic thin film transistor was deposited on the SiOC film by thermal evaporation. The growth of pentacene is related with the Diels-Alder reaction and the nucleophilic reaction by the thermal induction. The surface is an important factor to control the recursive Diels-Alder reaction for growing of pentacene on SiOC far The terminal C=C double bond of pentacene molecule was broken easily as a result of attack of the nucleophilic reagents on the surface of SiOC film. The nucleophilic reaction can be accelerated by increasing temperature on surface, and it maks pentacene to grow hardly on the SiOC film with a flow rate ratio of $O_2/(BTMSM+O_2)=0.5$ due to its inorganic property. The nucleophlic reaction mechanism is $SN_2(bimolecular nucleophilic substitution)$ type.

• Journal of the Korean Institute of Gas
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• v.15 no.3
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• pp.39-46
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• 2011

This study investigates the effects of the DME and n-Butane mixture and of the stratification on combustion characteristics of HCCI engine by chemical reaction calculation. First, the existing DME reaction scheme and n-Butane is combined to make new chemical reaction model, then validating the effectiveness of new scheme. Furthermore, this study verify the HCCI combustion characteristics according to the changes of DME and n-Butane mixture ratio, which shows different auto ignition characteristics. Finally, it confirms the effects of stratification of mixture fuel on the reduction of pressure rise rate.

• Applied Chemistry for Engineering
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• v.16 no.1
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• pp.9-14
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• 2005

The Fenton reaction ($Fe^{2+}+H_2O_2$) has attracted considerable attention because of promising applicability as an environmental technology. While the various novel environmental technologies using Fenton reaction have been actively developed, the detailed mechanism of Fenton reaction is not clearly defined yet. As the major oxidizing chemical species, hydroxyl radical and high valent iron complex have been suggested to be produced in Fenton reaction in different mechamisms respectively. We critically summarized the basic issues regarding the microscopic mechanism of Fenton reaction.

• Journal of the Korean Electrochemical Society
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• v.15 no.3
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• pp.165-171
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• 2012

Here is implemented MATLAB program to analyze the characteristic curves of cyclic voltammetry which involves the multi-electron electrode reaction considered as key processes in electrochemical systems. For the electrochemical mass-transfer system, Fick's concentration equation subject to semi-infinite diffusion model for the boundary condition was discretized and solved by the explicit finite difference method. The resulting concentration values were converted into currents at each node by using Butler-Volmer equation. Based on the good agreement between the present numerical solution and the existing experimental results, effects of kinetic constants and CV scan rates on the reaction mechanism in multi-electron transfer processes were investigated effectively.

• Journal of the Korean Chemical Society
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• v.32 no.4
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• pp.351-357
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• 1988

The electrochemical reduction of uranyl ion at the dropping mercury electrode and/or mercury microelectrode has been studied in propanediol-1,2-carbonate (PDC) by voltammetric techniques. The position of peak potentials, the nature of limiting currents, their dependency on temperature and on concentrations, reversibility of electrode reactions, and influence of addition of phenol are described. The influence of PDC in aqueous solution of uranyl ion was also described. The values of kinetic parameters, viz., transfer coefficient, formal constant for the electrode reactions bave been determined by Koutecky's method as extended by Meites and Israel. The values of ${\Delta}H,\;{\Delta}G\;and\;{\Delta}S$ have also been calculated.

• Journal of the Korean Institute of Gas
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• v.26 no.2
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• pp.14-20
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• 2022

In this study, the catalytic reaction characteristics for producing hydrogen using methanol steam reforming were investigated. Nickel and copper are frequently used in steam reforming reaction and methanol synthesis, were used as main active metals. As a support, hydrotalcite has a high specific surface area, excellent porosity and thermal stability, and has weak Lewis acid sites and basic properties. Hydrotalcite was used to identify catalysts of methanol steam reforming with catalytic activity and their properties. In this research, high reactivity was shown in the catalyst of copper metal with high reducibility. And increasing of active metal loading showed the higher the methanol conversion and hydrogen selectivity.