• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.40-47
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• 2015

본 연구에서는 일치환된 방향족 화합물의 $NO_2{^+}$ 치환반응에서의 반응성 (reactivity)과 지향성 (regioselectivity)에 대해 분석하였다. 기존의 연구에 따르면, 방향족 고리와 치환체 사이의 ${\sigma}$ 결합을 통한 유발효과와 ${\pi}$ 결합을 통한 공명효과로 인해 벤젠 고리의 전자 분포가 증가하게 되면 반응성이 증가하는 것으로 알려져 있다. 또한 반응중간생성물인 탄소양이온의 안정성을 통해 지향성을 확인할 수 있는 것으로 알려진 바가 있다. 이에 따라, 본 연구에서는 반응성과 지향성이 실험적으로 잘 알려진 7가지의 치환기 (OH, $OCH_3$, $CH_3$, Cl, COOH, CN, $NO_2$)를 선정하여 DFT functional인 B3LYP를 사용하여 natural bond orbital (NBO) 계산을 하였고, 각각의 일치환된 벤젠 고리가 갖는 전자 분포를 ${\sigma}$와 ${\pi}$ 전자로 나누어서 보기로 했다. 그 결과, 일치환된 방향족 고리 치환반응의 반응성과 지향성은 ${\sigma}$ 결합을 통한 유발효과에 의해서는 영향을 받지 않고, 공명 효과로 인한 반응물의 ${\pi}$ 전자 분포에 의해 결정되는 것을 확인할 수 있었다. 이외에도 반응성을 비교 하기 위해 친핵체로 작용하는 일치환된 방향족 고리의 highest occupied molecular orbital(HOMO) 에너지와 친전자체인 $NO_2{^+}$의 lowest unoccupied molecular orbital (LUMO) 에너지의 차이를 비교하였으며, 친핵체의 HOMO 에너지가 높을수록 반응성이 커짐을 알 수 있었다.

• Elastomers and Composites
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• v.39 no.4
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• pp.281-285
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• 2004

In this paper, the simple way to evaluate the value of the activation energy for the overall rate of free radical polymerization by using DSC thermograms was studied using free radical polymerization or butylacrylate as a model. Activation ehergies were determined at heating rates of 1, 2, 5, and $10^{\circ}C/min$ by applying the multiple scanning-rate methods of Kissinger, Osawa, and half-width methods as well as the single rate method of Barrett. The value of the overall activation energy measured was closely matched with the values calculated from individual data. This work also demonstrated that the use of the isoconversional method was a simple and effective way to estimate the activation energy for the overall free radical polymerization.

• Journal of the Korean Chemical Society
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• v.41 no.12
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• pp.682-710
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• 1997

Photocatalysis, which can be applied to get energy economically, to synthesize useful materials, and to remove environmentally harmful materials by transforming solar energy to chemical energy, has many advantages over conventional heterogeneous catalysis. In this review article, both heterogeneous and homogeneous photocatalyses were discussed focusing on the principles of photocatalysis, the modification of the photocatalysts, hydrogen formation by water decomposition, and environmental application of photocatalysis.

• 한국신재생에너지학회:학술대회논문집
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• 2007.11a
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• pp.623-626
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• 2007

킬른형 열분해 반응기를 이용하여 혼합폐플라스틱의 열분해로부터 얻어진 고분자성분의 열적분해 특성에 관한 연구를 TGA와 GC-MS를 이용하여 수행하였다. 열적분해의 속도론적 연구는 $10{\sim}50^{\circ}C/min$ 사이의 여러 가열속도에서 비등온 질량감소 기술을 이용하여 수행하였으며 활성화 에너지 및 반응 차수와 같은 속도 상수들에 대한 정보를 얻기 위하여 문헌에 제시된 여러 가지의 속도론 해석방법을 이용하여 질량감소곡선 및 그 미분 값을 해석하였다. 또한 회분식 열분해 반응기를 이용하여 반응온도에 따른 액상 생성물의 수율변화를 고찰하였으며 GC-MS를 이용하여 액상 생성물의 반응온도 증가에 따른 특성연구를 수행하였다.

• Proceedings of the Korea Society for Energy Engineering kosee Conference
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• 1998.10a
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• pp.329-332
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• 1998

• Proceedings of the Korea Society for Energy Engineering kosee Conference
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• 1996.04a
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• pp.40-43
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• 1996

• Clean Technology
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• v.15 no.3
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• pp.186-193
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• 2009

The characteristics of product materials obtained from thermal degradation of low-qualify pyrolytic oil were investigated in this study. The reactants were produced by pyrolysis of mixed plastic waste with film type in a commercial rotary kiln reaction system. The properties of reactants were measured by elemental analysis, calorimetry analysis and SIMDIST analyst. The result of degradation experiments with different reaction temperature programs was discussed through product yields, cumulative yields and production rates of oil products. The multi-step reaction temperature program resulted in higher yields of product oils and lower yields of residues than one-step reaction temperature program. The product characteristics such as production yield and the rate of oil products etc. were influenced by reaction temperature program in the continuous thermal degradation.

• Journal of the Korean Society of Propulsion Engineers
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• v.20 no.5
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• pp.40-50
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• 2016

Energetic plasticizers containing explosophore groups such as $-NO_2$, $-ONO_2$, and $-N_3$ group are susceptible to impact, shock, heat, etc, finally deteriorating the insensitivity of PBXs. In this study, in an attempt to investigate the feasibility of replacing sensitive explosophore groups to fundamentally inactive but potentially (latent) energetic fluorine group which was known to have an exothermic thermite reaction with aluminum, nano-aluminum/fluorinated polyurethane binders were prepared by simultaneous polyurethane and catalyst-free azide-alkyne click reaction in the presence of nano-aluminum. Thermal characteristics of nano-aluminum/fluorinated polyurethane binders were monitored by using DSC with high pressure crucible pan.

• Journal of the Korean Solar Energy Society
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• v.21 no.3
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• pp.1-8
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• 2001

The chemical heat storage as the one way of utilization for high temperature solar energy was considered. The stram reforming reaction of methane was chosen for endothermic reaction. The reactor was made of stainless steel and the dimension was 6.25 mm I.D. and 30 cm long coiled tube because of the geometry requirement of solar receiver. The methane conversion was increased linearly with reaction temperature and nickel content of catalyst. The methane conversion was 60% at $600^{\circ}C$ and 90% at $900^{\circ}C$. The feasibility of steam reforming of methane as the conversion of solar energy to chemical heat storage was confirmed.

• Journal of the Korean Chemical Society
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• v.47 no.3
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• pp.191-198
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• 2003

The pairwise energy model (PEM) assumes that the cross section for the reaction cross section for the reaction A+BC$\{leftrightarrow}$B+C, where B and C are isotopes of hydrogen, depends on only the pairwise relative energy Es between A and B. Until now, the PEM has been used to interpret theoretically the isotope effect for the reactions such as $O(^3P)+HD,\;Ar^++(H_2,\;D_2,and\;HD)$. In this paper we carry out extensive quasiclassical trajectory calculations for the three possible reactions $Cl+H_2$ and HD and show that the PEM works very well at high energy. In particular we are able to accurately predict the intramolecular isotope effect at high energy for the reaction of Cl+HD using only the cross section data for $Cl+H_2$. To understand that the PEM works so well at high energy, the internal energy distributions for the products are examined. The distributions for three reactions are different at a fixed relative collision energy E but are approximately same at a fixed pairwise energy Es. This suggests that the PEM works very well at high energy. We believe the conclusions reached here will apply to other A+BC systems.