• Bulletin of the Korean Chemical Society
• /
• 제15권6호
• /
• pp.453-455
• /
• 1994

Semiempirical MO calculations are applied to estimate the substituent effects on acylations of the nonfused N-vinyl-2-amino $\beta-lactams$ having frameworks analogous to 3-cephems. The stabilization energy for the reaction intermediate of the nucleophilic attack by the hydroxide ion is selected as the reactivity index and calculated by AM1 and PM3 methods for the model $\beta-lactams$ with substituents at the C1 and N-vinyl terminal positions. The reactivities are larger for -SH connected to the C1 and strong $\pi-acceptors$ at the N-vinyl terminal implying the large reactivity for known active cephalosporins. Quantum chemical calculation of stabilization energy could be useful in correlating antibiotic activities of many compounds obtained as derivatives of a lead compound.

• Carbon letters
• /
• 제12권4호
• /
• pp.229-235
• /
• 2011

Isotactic polyacrylonitrile (PAN) with triad isotacticity of 0.53, which was determined by $^{13}C$ NMR, using dialkylmagnesium as an initiator, was successfully synthesized. Isothermal treatment of iso-PAN was conducted in air at 200, 220, 250 and $280^{\circ}C$. Structural evolutions and chemical changes were studied with Fourier transformation infrared and wide-angle X-ray diffraction during stabilization. A new parameter $CNF={I_{2240cm}}^{-1}/ ({I_{1595cm}}^{-1}+f^*{I_{1595cm}}^{-1})$ was defined to evaluate residual nitrile groups. Crystallinity and crystal size were calculated with X-ray diffraction dates. The results indicated that the nitrile groups had partly converted into a ladder structure as stabilization proceeded. The rate of reaction increased with treatment temperature; crystallinity and crystal size decreased proportionally to pyrolysis temperature. The iso-conversional method coupled with the Kissinger and Flynn-Wall-Ozawa methods were used to determine kinetic parameters via differential scanning calorimetry analysis with different heating rates. The active energy of the reaction was 171.1 and 169.1 kJ/mol, calculated with the two methods respectively and implied the sensitivity of the reaction with temperature.

• Journal of Electrochemical Science and Technology
• /
• 제12권2호
• /
• pp.279-284
• /
• 2021

The high theoretical specific capacity of lithium-sulfur (Li-S) batteries makes them a more promising energy storage system than conventional lithium-ion batteries (LIBs). However, the slow kinetics of the electrochemical conversion reaction seriously hinders the utilization of Li-S as an active battery material and has prevented the successful application of Li-S cells. Therefore, exploration of alternatives that can overcome the sluggish electrochemical reaction is necessary to increase the performance of Li-S batteries. In this work, an ionic liquid (IL) is proposed as a functional additive to promote the electrochemical reactivity of the Li-S cell. The sluggish electrochemical reaction is mainly caused by precipitation of low-order polysulfide (l-PS) onto the positive electrode, so the IL is adopted as a solubilizer to remove the precipitated l-PS from the positive electrode to promote additional electron transfer reactions. The ILs effectively dissolve l-PS and greatly improve the electrochemical performance by allowing greater utilization of l-PS, which results in a higher initial specific capacity, together with a moderate retention rate. The results presented here confirmed that the use of an IL as an additive is quite effective at enhancing the overall performance of the Li-S cell and this understanding will enable the construction of highly efficient Li-S batteries.

• Korean Chemical Engineering Research
• /
• 제57권5호
• /
• pp.701-705
• /
• 2019

알칼라인 조건에서의 산소발생 반응(oxygen-evolution reaction: OER)은 다양한 에너지 시스템에 중요한 반응으로 여겨지고 있다. 큰 overpotential을 감소시키기 위해 다양한 촉매들이 개발되고 있으며, 그 중 NiO는 높은 활성도에 대한 가능성으로 인해 연구가 활발하게 진행되고 있다. 촉매의 표면에서 OER에 대한 메커니즘은 정확하게 규명되지는 않았지만, 산화물 촉매에서 Ni 또는 O vacancy와 같은 결함들은 많은 전기화학반응에서 활성점으로 여겨진다. 따라서, 본 연구에서는 nitrogen을 ethylenediamine을 이용하여 NiO의 O위치에 치환하여 Ni vacancy를 형성하고 그로 인해서 OER의 activity와 내구성에 어떠한 영향을 미치는지에 대해 분석해 보았다.

• 한국세라믹학회지
• /
• 제48권5호
• /
• pp.426-432
• /
• 2011

The oxidation behavior of CVD ${\beta}$-SiC was investigated for Very High Temperature Gas-Cooled Reactor (VHTR) applications. This study focused on the surface analysis of the oxidized CVD ${\beta}$-SiC to observe the effect of impurity gases on active/passive oxidation. Oxidation test was carried out at $950^{\circ}C$ in the impurity-controlled helium environment that contained $H_2$, $H_2O$, CO, and $CH_4$ in order to simulate VHTR coolant chemistry. For 250 h of exposure to the helium, weight changes were barely measurable when $H_2O$ in the bulk gas was carefully controlled between 0.02 and 0.1 Pa. Surface morphology also did not change based on AFM observation. However, XPS analysis results indicated that a very small amount of $SiO_2$ was formed by the reaction of SiC with $H_2O$ at the initial stage of oxidation when $H_2O$ partial pressure in the CVD ${\beta}$-SiC surface placed on the passive oxidation region. As the oxidation progressed, $H_2O$ consumed and its partial pressure in the surface decreased to the active/passive oxidation transition region. At the steady state, more oxidation did not observable up to 250 h of exposure.

• 한국수소및신에너지학회논문집
• /
• 제26권3호
• /
• pp.227-233
• /
• 2015

In this study, we evaluate catalytic activity of Pd/C catalyst that is synthesized by modified polyol method. With such formed Pd/C is used as anodic catalyst for direct formic acid fuel cell (DFAFC) and performances of the DFAFC are measured to verify whether the new catalyst is effective for enhancing DFAFC performance and to determine optimal loadings of the Pd/C needed for obtaining best DFAFC performance. Pd particle distribution of the Pd/C catalyst is analyzed by TEM, while its catalytic activity is estimated by using cyclic voltammogram (CV) as measuring formic acid oxidation reaction and active surface area. As a result of that, the Pd/C catalyst synthesized by modified polyol shows better catalytic activity and DFAFC performance with small loading amount of Pd/C. When loading amount of Pd/C is $1.5mgcm^{-2}$, maximum power density of DFAFC adopting the catalyst is $122mWcm^{-2}$.

• 대한화학회지
• /
• 제22권6호
• /
• pp.386-395
• /
• 1978

여러 농도와 온도에서 Poly(trans-5-methyl-L-proline)을 trifluoroethanol 용매에서 정방향 변광회전, trifluoroethanol-n-butanol (1 : 4) 용매에서 역방향 변광회전을 시키면서 변광회전속도를 측정하였다. 이 두 방향의 변광회전 현상은 폴리머농도에 대하여 1차 반응이었다. 활성화에너지를 측정하기 위하여 변형된 Arrhenius식을 유도하였는데 이식은 물리적 성질과 농도와의 관계나 반응차수가 불확실한 반응에 이용할 수 있다. 정방향과 역방향 변광회전의 활성화에너지는 잔기몰당 각기 32.5와 33.5kcal이었고 이값은 polyproline 변광회전의 활성화에너지 (아미드결합의 공명에너지)보다 잔기몰당 10kcal가 높다. 이 과량의 활성화에너지는 폴리머아미드 결합이 시스-트란스 이성질화현상이 일어날 때 카르보닐기와 메틸기 사이에 생기는 입체장애에 의한 것이다.

• 마이크로전자및패키징학회지
• /
• 제10권3호
• /
• pp.37-42
• /
• 2003

전자 패키징에 사용되는 솔더합금에 납을 함유됨으로써 인하여 야기되는 환경적 문제와 인체 유해성 때문에 Pb-Sn 합금계를 대체할 수 있는 새로운 무연 솔더 재료의 필요성이 대두되고 있다. 새로운 솔더합금의 개발에 있어서 솔더 조인트의 신뢰성이 가장 중요한 문제라고 할 수 있는데, 솔더 조인트의 신뢰성은 솔더와 기판 사이의 계면 반응 형태와 그 정도에 의해서 크게 영향을 받기 때문에 솔더와 기판 사이의 계면 현상에 관한 더 깊은 이해가 필요하게 된다 솔더링 동안 기판/솔더 계면에서 가장 먼저 생성되는 금속간 화합물의 상을 예측하기 위한 열역학적인 방법이 제안되었다. 계면 에너지와 석출 구동력의 함수로 표현되는 각각의 금속간 화합물에 대한 핵생성 활성화 에너지를 비교함으로써 활성화 에너지가 가장 낮은 금속간 화합물이 가장 먼저 생성된다고 예측하였다. 거기에 더해 에너지를 기반으로 한 계산을 통하여 솔더 조인트에서 금속간 화합물의 입자 형상을 설명하였다. 울퉁불퉁한 계면을 가진 금속간 화합물의 Jackson의 parameter 값은 2보다 작은 반면 평평한 입자의 경우 2보다 크게 된다.

• 한국안전학회지
• /
• 제15권3호
• /
• pp.66-70
• /
• 2000

In order to cope with environmental problems caused by harmful gases emitted from various industrial sources, a new technology which employs discharge plasma formed in ordinary atmospheric pressure has been intensively investigated in many industrialized nations. Although a plenty of useful outcomes and suggestions have been made public by scientists in this field, few commercial products which effectively decompose pollutant gases have appeared as yet. This is partly because that the energy efficiency of a most effective plasma reactor has not reached a satisfactory level in comparison with those of devices using conventional technologies. In an attempt to solve the problem mentioned above, we noticed to combine heterogeneous electrical discharges. This concepts is based on that each plasma reactor has its specific spatial region in which chemical reaction are active and by electrically affected with another reactor of different type, the activated region would increase - which may lead to cutting down the energy consumption. To prove this concept experimentally, two different discharge equipments, a plane ceramic-based surface discharge electrode and a corona electrode with tungsten needle may, are selected and combined to fabricate a hybrid plasma reactor. The results are summarized as follows; (1) Ozone concentration generated in the plasma region drastically increases when the positive corona discharge is added to the surface discharge. The rate of increase of ozone depends on the frequency of the surface discharge. The negative corona, however, does not contribute to the improvement of the ozone generation. (2) NO(nitrogen monoxide) decomposition rate also improves by simultaneously applying the surface and the positive corona discharges. The effect of the corona superposition is more evident when the level of the surface discharge is moderate. (3) By adjusting the corona level, the net energy efficiency during NO decomposition improves in comparison with the simple surface discharge reactor.

• 한국태양에너지학회:학술대회논문집
• /
• 한국태양에너지학회 2009년도 추계학술발표대회 논문집
• /
• pp.56-61
• /
• 2009

Paradigm depending only on fossil fuel for building heat source is rapidly changing. Accelerating the change, as it has been known, is obligation for reducing green house gas coming from use of fossil fuel, i.e. reaction to United Nations Framework Convention on Climate Change. In addition, factors such as high oil price, unstable supply, weapon of petroleum and oil peak, by replacing fossil fuel, contributes to advance of environmental friendly renewable energy which can be continuously reusable. Therefore, current new energy policies, beyond enhancing effectiveness of heat using equipments, are to make best efforts for national competitiveness. Our country supports 11 areas for new renewable energy including sun light, solar heat and wind power. Among those areas, ocean thermal energy specifies tidal power generation using tide of sea, wave and temperature differences, wave power generation and thermal power generation. But heat use of heat source from sea water itself has been excluded as non-utilized energy. In the future, sea water heat source which has not been used so far will be required to be specified as new renewable energy. This research is to survey local heating system in Europe using sea water, central solar heating plants, seasonal thermal energy store and to analyze large scale central solar heating plants in German. Seasonal thermal energy store necessarily need to be equipped with large scale thermal energy store. Currently operating central solar heating system is a effective method which significantly enhances sharing rate of solar heat in a way that stores excessive heat generating in summer and then replenish insufficient heat for winter. Construction cost for this system is primarily dependent on large scale seasonal heat store and this high priced heat store merely plays its role once per year. Since our country is faced with 3 directional sea, active research and development for using sea water heat as cooling and heating heat source is required for seashore villages and building units. This research suggests how to utilize new energy in a way that stores cooling heat of sea water into seasonal thermal energy store when temperature of sea water is its lowest temperature in February based on West Sea and then uses it as cooling heat source when cooling is necessary. Since this method utilizes seasonal thermal energy store from existing central solar heating plant for heating and cooling purpose respectively twice per year maximizing energy efficiency by achieving 2 seasonal thermal energy store, active research and development is necessarily required for the future.