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Quantum Mechanical Studies of the Structures and Reactions of oxiranes (Oxiranes의 구조와 반응에 관한 양자역학적 연구)

  • Shi Choon Kim
    • Journal of the Korean Chemical Society
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    • v.30 no.2
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    • pp.248-258
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    • 1986
  • The electronic structures and geometries of model substituted oxiranes, and carbonyl ylides containing cyano, methoxy and thiomethoxy substituents were investigated by MNDO-SCF-MO method. Stabilization and geometries caused by substituents, the ease of formation of carbonyl ylides from oxiranes and the reactivities of the cycloaddition of substituted carbonyl ylides were investigated.

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Application of Central Composite Design in Simulation Experiment (시뮬레이션 실험에서 중심합성계획의 응용)

  • 권치명
    • Proceedings of the Korea Society for Simulation Conference
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    • 2004.05a
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    • pp.41-47
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    • 2004
  • 중심합성계획(central composite design: ccd)은 반응 표면이 곡면적인 특성을 나타낼때 반응 공간을 추정하기 위해 사용되는 실험계획이다. 반응공간이 2차 회귀모형으로 나타나는 경우에 반응곡면의 변화량을 알기 위해서는 변수의 수준이 3이상이 되어야하는데 ccd는 적은 횟수의 실험으로 곡면을 효과적으로 추정하기 위해 2$^{k}$ 요인실험에 추가적으로 중심점(central point)과 축점(axial point)을 표본점에 포함시키는 계획이다. 본 연구에서는 시뮬레이션 실험에서 반응변수가 2차 회귀모형으로 근사되는 경우에 cod를 이용하여 관심 성과치의 반응표면을 추정하고자 한다. 일반적인 실험에서와는 달리 시뮬레이션 실험에서는 두개의 표본점(인자 수준의 조합)에서 분석자가 공통 난수계열(common random number series)을 부여하여 시뮬레이션 시스템 요소의 변화과정을 유사하게 통제할 수 있다. 일반적으로 공통난수법(common random number method)에 의해 얻어지는 두 표본점에서의 반응변수는 서로 양의 상관관계를 가지며 대조 난수(antithetic random number)에 의한 두 반응변수는 음의 상관성을 가지는 것으로 알려졌다. 본 연구는 ccd의 표본점에 공통난수와 대조난수 법을 이용하여 회귀모형의 파라미터를 효과적으로 추정하는 방법을 조사하고 이를 (s, S) 재고관리 모형에 적용하여 그 효율성을 평가하고자 한다.

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Cure Reaction and Thermal Stability of DGEBA/MDA/MN/HQ System (DGEBA/MDA/MN/HQ계의 경화반응과 열적 안정성)

  • Sim, Mi-Ja;Kim, Sang-Uk
    • Korean Journal of Materials Research
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    • v.5 no.5
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    • pp.606-610
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    • 1995
  • Diglycidyll ether of bisphenol A(DGEBA)/4, 4'-methylene dianiline(MDA)계에 반응성 첨가제 malononitrile(MN)을 첨가하면 내충격성은 크게 향상되나 반응속도는 감소하게 된다. 에폭시 수지의 경화반응은 에폭시기가 개환되어 생성되는 히드록시기가 촉매로 작용하는 자촉매 반응이며, 외부에서도입된 히드록시기도 같은 효과를 나타낸다. 따라서 본 연구에서는 DGEBA/MDA/MN 계의경화 반응속도를 증가시키기 위해 히드록시기를 가진 촉매로서 hydroquinone(HQ)을 도입하였고 이들 계의경화특성 및 열적성질을 고찰하였다. HQ가 첨가됨으로 인해 활성화 에너지는 감속하고 속도상수는 증가하였으며, 발열곡선에서 반응 시작온도가 낮아졌다. 이 결과로부터 HQ가 반응 가속제로 작용하고 있음을 알 수 있다.

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Fundamental Study of Ilmenite Type Coated Arc Welding Electrode - Effect of the variation of the basicity in ilmenite type coated arc welding electrode on the chemical composition and mechanical porpeties - (일미나이트계 피복아아크 용접봉의 기초적 연구 - 일미나이트계 피복아아크 용접봉의 염기도가 화학성분 및 기계적 성질에 미치는 영향 -)

  • 권영수;손병영
    • Journal of Welding and Joining
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    • v.2 no.2
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    • pp.1-6
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    • 1984
  • 피복아아크 용접봉(이하 용접봉이라 함)의 피복제는 염기도에 따라 산성, 중성, 염기성으로 대별할 수 있다. 용접에서의 화학야금반응은 제강의 화학야금반응과 원리는 비슷하나 양자간 크게 다른 점은 용접시의 반응시간이 극히 짧다는 점이다. 이와같이 반응시간이 짧다는 점 이외에도 작업자가 직접 용융반응을 지켜 보면서 반응후에 나타나는 제반 문제점에 대비하여야 하는 어려운 점이 있다. 제강반응은 전문가만의 독특한 기술인 반면 용접은 용접봉 제조자 뿐만 아니라, 용접작업자 고유의 기술이므로 용접야금반응을 상식화 하고자 하는데 본 고는 의의를 두고 있다. 피복제 중에서의 염기도의 변화, 즉 염기도에 영향을 크게 미치는 탄산칼슘의 양을 임의로 변화시키므로서 다음과 같은 현상을 기대할 수 있다. (1)용접 작업성의 변화 (2)용착 금속의 화학성분 변화 (3)용착금속의 조직 변화 (4) 용착금속내의 수소 함유량 변화 (5)용착금속의 기계적 성질변화 등이다.

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A Study of Regeneration Reaction for Desulfurization Sorbents using Natural Manganese Ore (천연 망간 광석 탈황제의 재생 반응 특성 연구)

  • 윤여일;윤용승;김성현
    • Journal of Energy Engineering
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    • v.11 no.3
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    • pp.247-253
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    • 2002
  • Natural manganese ore was selected as main active component for a non-zinc desulfurization sorbent used in the gas clean-up process of the integrated gasification combined cycle (IGCC) because of excellent H$_2$S removal efficiency and economical aspect . In this study, the regeneration characteristics of sorbent after desulfurization reaction were determined in a thermobalance reactor and a fixed bed reactor in the temperature range of 350~55$0^{\circ}C$. The mixed gases of oxygen and nitrogen are used as the regeneration reaction gases for manganese sorbent. According to Mn-S-O phase diagram, the manganese sorbent has a low regeneration efficiency in medium temperature due to formation of MnSO$_4$ and the regeneration temperature must be over 85$0^{\circ}C$. To improve that problem, ammonia and steam was added in regeneration mixed gases. Effect of new regeneration method was determined by XRD and difference of desulfurization through multicycle tests.

A Study on the PP/PS Blends with Nylon 6 Reactive Compatibilizers (Nylon6계 반응 상용화제에 의한 PP/PS 블렌드에 관한 연구)

  • 서성식;이기윤;김성희;김동철;이승구
    • Polymer(Korea)
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    • v.26 no.1
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    • pp.71-79
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    • 2002
  • RPP(maleic-anhydride grafted PP)and OPS(oxazoline grafted PS) do not react to each other, and thus show immiscibility. In this study, Nylons was added to RPP/OPS blend systems, as a reactive compatibilizer for enhancing the miscibility of the blends. When Nylon6 was added to the blends of RPP and OPS, RPP/Nylon6/OPS was produced. The effects of the molar ratio of Nylon6 on the RPP-Nylon6-OPS reaction were studied. Torque test and FT-IR analysis have been carried out to investigate the reaction of RPP/Nylon6/OPS system. The reaction torgue ratio and reaction efficiency show the maximum values at 1 : 0.66 : 1 and 1 : 1 : 1 (in moles) for RPP/Nylon6/OPS. In the RPP/Nylon6/OPS blends, their mechanical properties were changed with the molar ratio of Nylon6 and showed the highest value at molar ratio of 1.5. Physical properties and compatibility of RPP/Nylon6/OPS were compared with those of PP/Nylon6/OPS. Consequently, RPP/Nylon6/OPS plays a proper role as a reactive compatibilizer to the PP/PS blend system.

Studies on Whole Cell Immobilized Glucose Isomerase - II. Operational Studies on the Batchwise and Continuous Isomerization of D-Glucose - (포도당 이성화 효소의 세포 고정화에 관한 연구 - 제 2 보 : 회분식 및 연속 반응조를 사용한 포도당의 이성화 -)

  • Ahn, Byung-Yoon;Byun, Si-Myung
    • Korean Journal of Food Science and Technology
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    • v.11 no.4
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    • pp.249-257
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    • 1979
  • Using the whole cell immobilized glucose isomerase which was prepared in the previous work (Korean J. Food Sci. & Technol., 11(3), 192 (1979), the specific activity of the immobilized enzyme was 48.1 units in the batch reaction system and 114 units in the continuous reaction system per g of matrix, respectively. In the continuous reactor the voidity was 0.36, which was suitable for the packed bed reactor. This immobilized enzyme showed a good operational stability of 115 days of half life which was sufficient for the continuous operation. The experimental result showed that 55 % of the substrate was converted to the product in the packed bed reactor. The productivity was dependent on the flow rate, column geometry, enzyme loading, and substrate concentration. An intrapaticle diffusion was observed by the effectiveness factor of 0.75 and interparticle diffusion by the decrease of Km' with increasing the superficial velocity.

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User Response to Mobile Payment System: Emotional, Cognitive, and Behavioral Approaches (모바일 간편결제시스템 사용의 감성적, 인지적, 행동적 반응 과정 연구)

  • Choi, Yoo-Jung;Hwangbo, Hyunwoo
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.26 no.8
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    • pp.1158-1164
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    • 2022
  • In this study, the emotional reaction process and the cognitive reaction process were divided into the process of building trust in order to form a continuous use intention in the process of using the mobile simple payment system. We examined the process by which various external factors generate continuous use intentions, that is, behavioral responses through the process of each reaction. External factors were divided into social factors, systemic factors, and social factors. Among them, system factors were social norms and images, and systemic factors were simplicity and accessibility. And the social factors consisted of security and compatibility. And the emotional response was set as pleasure and emotional trust, the cognitive response was cognitive trust, and the final dependent variable was set as continuous use intention. A survey was conducted for model analysis, and the analysis results were derived using PLS.

An Interpretive Analysis of Magnetotelluric Response for a Three-dimensional Body Using FDM (FDM을 이용한 MT 탐사의 3차원 모형 반응 연구)

  • Han Nuree;Lee Seong Kon;Song Yoonho;Suh Jung Hee
    • Geophysics and Geophysical Exploration
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    • v.7 no.2
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    • pp.136-147
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    • 2004
  • In this study, the characteristics of magnetotelluric (MT) responses due to a three-dimensional (3-D) body are analyzed with 3-D numerical modeling. The first model for the analysis consists of a single isolated conductive body embedded in a resistive homogeneous half-space. The second model has an additional conductive overburden while the other conditions remain the same as the first one. The analysis of apparent resistivities shows well that the 3-D effects are dominant over some frequency range for the first model. Two mechanisms, current channeling and induction, for secondary electric fields due to the conductive body are analyzed at various frequencies: at high frequencies induction is more dominant than channeling, while at low frequencies channeling is more dominant than induction. Tippers have a strong relation to the position of anomalous body and the real and imaginary parts of induction vector also indicate the position of anomalous body. off-line conductive anomaly sometimes causes severe problem in 2-D interpretation. In such case, induction vector analysis can give information on the existence and location of the anomalous body. Each parameter of the second model shows similar responses as those of the first model. The only difference is that the magnitude of all parameters is decreased and that the domain showing the 3-D effects becomes narrower. As shown in this study, the analysis of 3-D effects provides a useful and effective means to understand the 3-D subsurface structure and to interpret MT survey data.

Palladium Catalyzed Synthesis of Aryl Conjugated Enamides (팔라듐 촉매를 이용한 Aryl Conjugated Enamides의 합성)

  • Young Taik Hong;Jong Tae Lee;Cheol Mo Ryu;Kim, Jin Il
    • Journal of the Korean Chemical Society
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    • v.29 no.3
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    • pp.287-294
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    • 1985
  • Acrylamide, N-alkyl substituted acrylamides and N,N-diethylacrylamide were reacted with aryl bromides in the presence of triethylamine and palladium acetate-triorthotolyl phosphine catalyst to form the various substituted aryl conjugated enamides. These reactions proceeded selectively and (E)-isomer of aryl conjugated enamides was obtained. N-alkyl substituted acrylamides were more reactive than acrylamide or N,N-diethylacrylamide and gave high yields of vinylated products. Aryl bromides with electron withdrawing group showed good reactivity but aryl bromides with electron donating group showed poor reactivity or no reactivity for acrylamide or N,N-diethylacrylamide.

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