• 한국전산유체공학회:학술대회논문집
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• 한국전산유체공학회 2002년도 춘계 학술대회논문집
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• pp.35-40
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• 2002

The dynamic behaviors of the single vortex in a reacting and non-reacting methane-air jet flow were investigated numerically. The numerical method was based on a predictor-corrector for low Mach number flow A two-step global reaction mechanism was adopted as a combustion model. After fuel and air were developed entirely in computational domain, the single vortex was generated by an axisymmetric jet that was impulsed to emit a cold fuel. Through comparisons of single vortex in reacting and non-reacting jet flow, it was found that global dynamic behaviors and the mechanisms leading to the formation, transport processes of vortex ring were influenced significantly by heat release from reaction. In addition, the interaction between a single vortex and flame bulge generated by buoyance effect in a reacting jet flow was found.

• Bulletin of the Korean Chemical Society
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• 제2권1호
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• pp.1-8
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• 1981

Electrochemical reduction of nitrobenzene and substituted nitrobenzenes on lead electrode was studied by galvano-static measurements and cyclic voltammetry in basic ethanol-water solvents. Nitroso compounds or hydroxylamines were detected as the main reduction product depending on the potential. Mechanisms of production and further reduction of substituted and unsubstituted nitrosobenzenes are deduced from Tafel slope, pH dependence and reaction order. The reduction of most of the substituted nitrobenzenes to corresponding nitrosobenzene derivatives seemed to follow the reaction mechanism of nitrobenzene reduction with a few exceptions. A Hammett type relationship between the magnitude of the reduction current and the kinds of substituents was found with the ${\rho}$ value of 0.54.

• Bulletin of the Korean Chemical Society
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• 제10권5호
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• pp.443-447
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• 1989

The mechanism on the oxidative addition reaction of $(TBA)_2\;Pt(CN)_4$ with $Cl_2$ has been studied by means of extended Huckel calculations. Among two possible mechanisms, computational calculations demonstrated that the linear approach of $Cl_2$ to a $Pt(CN)_4$ moiety is more favourable than three-centered transition state. From our calculations, the most stable process is that a $Pt(CN)_4$ moiety interacts with $Cl_2$ in the linear transition state and the cleavage of Cl-Cl bond in a coordinated halogen occurred spontaneously, giving rise to a trans product by back-attacking a $Pt(CN)_4Cl$ moiety by Cl. The process consists of the comparison in the stability of each intermediate with use of bonding and potential energy.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2008년 영문 학술대회
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• pp.597-601
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• 2008

Three-dimensional structures of detonation wave propagating in circular tube were investigated. Inviscid fluid dynamics equations coupled with a conservation equation of reaction progress variable were analyzed by a MUSCL-type TVD scheme and four stage Runge-Kutta time integration. Variable-$\gamma$ formulation was used to account for the variable properties between unburned and burned states and the chemical reaction was modeled by using a simplified one-step irreversible kinetics model. The computational code was parallelized based on domain decomposition technique using MPI-II message passing library. The computations were carried out using a home made Windows based PC cluster having 160 AMD AthloxXP and Athlon64 processor. The computational domain consisted of through a roundshaped tube with wall conditions. As an initial condition, analytical ZND solution was distributed over the computational domain with disturbances. The disturbances has circumferential large gradient. The unsteady computational results in three-dimension show the detailed mechanisms of multi-cell mode of detonation wave instabilities resulting diamond shape in smoked-foil record.

• Bulletin of the Korean Chemical Society
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• 제13권2호
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• pp.187-192
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• 1992

The classical trajectory method, previously applied to the reactions of polyatomic molecules with fcc structured metal solids[S. C. Park, C. H. Cho, and C. H. Rhee, Bull. Kor. Chem. Soc., 11, $1(1990)]^1$ is extended to the collision energy dependence of the reaction of the Al solid by $SiCl_4$ molecules. We have calculated etching yields, degrees of anisotropy, kinetic energy distributions, and angular distributions for the reactions of the Al solid and compared with those for the reactions of the Cu solid. Over the range of collision energies we considered, the reactions of the Al soIid show higher etching yield and better anisotropy than the reactions of the Cu solid. Details of reaction mechanisms and the relevance of these calculations for the dry etching of CuAl alloy are discussed.

• Bulletin of the Korean Chemical Society
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• 제22권3호
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• pp.303-307
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• 2001

The ignition of propane was investigated behind reflected shock waves in the temperature range of 1350-1800 K and the pressure range of 0.75-1.57 bar. The ignition delay time was measured from the increase of pressure and OH emission in the C3H8-O2-Ar system. The relationship between the ignition delay time and the concentrations of propane and oxygen was determined in the form of mass-action expression with an Arrhenius temperature dependence. The numerical calculations were also performed to elucidate the important steps in the reaction scheme of propane ignition using various reaction mechanisms. The ignition delay times calculated from the mechanism of Sung et al.1 were in good agreement with the observed ones.

• Journal of Veterinary Science
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• 제24권6호
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• pp.77.1-77.7
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• 2023

Antibiotics are known to be able to cause hypersensitivity reactions through various mechanisms. We present a case of drug-induced immune thrombocytopenia (DITP) and anaphylactic shock occurring simultaneously in a dog after the administration of two classes of antibiotics, namely trimethoprim-sulfamethoxazole (TMP-SMX) and amoxicillin-clavulanate (AMC). The patient recovered completely from DITP on discontinuation of TMP-SMX and the anaphylactic shock caused by AMC was treated with intensive care. DITP is a rare adverse drug reaction (ADR), and anaphylactic shock is a life-threatening ADR. This is the first case report of a dog manifesting two types of hypersensitivity reactions caused by two antibiotics.

• 한국과학교육학회지
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• 제27권6호
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• pp.477-487
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• 2007

Previous studies show that students have difficulties in understanding and using molecular visualization tools. This study focuses on the ways in which first year chemistry undergraduates use ball-and-stick molecular models to explain the concept of addition reaction and the difficulties that they face using the models. Video recordings of interviews with undergraduates manipulating ball-and-stick models to solve problems related to reaction mechanisms are analysed to determine if they are able to elucidate their understanding with use of models. The results showed that students have difficulties with viewing the ball-and-stick models from the proper perspective and understanding the relationship between the various structures that they have created using the models. They also find the use of ball-and-stick models tedious and prefer drawing molecular structures on paper to explain their ideas. Implications for the teaching using ball-and-stick molecular models are discussed.

• Mycobiology
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• 제29권1호
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• pp.19-26
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• 2001

Defense mechanisms against anthracnose disease caused by Colletotrichum orbiculare on the leaf surface of cucumber plants after pre-treatment with plant growth promoting rhizobacteria(PGPR), amino salicylic acid(ASA) or C. orbiculare were compared using a fluorescence microscope. Induced systemic resistance was mediated by the pre-inoculation in the root system with PGPR strain Bacillus amylolquefaciens EXTN-1 that showed direct antifungal activity to C. gloeosporioides and C. orbiculare. Also, systemic acquired resistance was triggered by the pre-treatments on the bottom leaves with amino salicylic acid or conidial suspension of C. orbiculare. The protection values on the leaves expressing SAR were higher compared to those expressing ISR. After pre-inoculation with PGPR strains no change of the plants was found in phenotype, while necrosis or hypersensitive reaction(HR) was observed on the leaves of plants pre-treated with ASA or the pathogen. After challenge inoculation, inhibition of fungal growth was observed on the leaves expressing both ISR and SAR. HR was frequently observed at the penetration sites of both resistance-expressing leaves. Appressorium formation was dramatically reduced on the leaves of plants pre-treated with ASA, whereas EXTN-1 did not suppress the appressorium formation. ASA also more strongly inhibited the conidial germination than EXTN-1. Conversely, EXTN-1 significantly increased the frequency of callose formation at the penetration sites, but ASA did not. The defense mechanisms induced by C. orbiculare were similar to those by ASA. Based on these results it is suggested that resistance mechanisms on the leaf surface was different between on the cucumber leaves expressing ISR and SAR, resulting in the different protection values.

• Korean Chemical Engineering Research
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• 제61권4호
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• pp.604-610
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• 2023

주변 조건에서 N₂를 환원하여 NH₃를 생성하는 전기 촉매 질소 환원 반응(nitrogen reduction reaction, NRR)은 산업공정에서 에너지 소비를 감소시킬 수 있는 유망한 기술로 주목을 받고 있다. N₂를 흡착하고 활성화할 수 있는 촉매 금속 표면 중 많이 사용되는 Ni(100) 표면의 여러 사이트(site)의 흡착 성능을 밀도 함수 이론 계산(density-functional theory)를 기반으로 비교하였다. 또한 안정적인 NRR반응의 경로를 유도하는 N₂의 두 가지 흡착 구조를 조사하였고 end-on 구조는 top site에 흡착, distal pathway로 반응이 진행되고 side-on 구조는 bridge site에 흡착되며 enzymatic pathway로 반응이 진행되었다. 마지막으로 구조 별 가장 안정한 메커니즘의 깁스 자유에너지를 구하여 반응의 경향성을 알아봄으로써 NRR 반응의 금속 촉매 표면 흡착에 대한 연구에 도움이 될 수 있을 것이다.