• 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 Society of Combustion
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• v.21 no.3
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• pp.16-23
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• 2016

In this study, skeletal mechanisms are produced by directed relation graph with specified threshold value and sensitivity analysis based on species database from the directed relation graph. Skeletal mechanism is optimized through the elimination of unimportant reaction steps by computational singular perturbation importance index. Reduction is performed for the detailed mechanism of methyl butanoate consisting of 264 species and 1219 elementary reactions. Validation shows acceptable agreement for auto-ignition delays in wide parametric ranges of pressure, temperature and equivalence ratio. Methyl butanoate has been proposed as a simple biodiesel surrogate although the alkyl chain consists of four carbon atoms. The resulting surrogate mechanism for n-heptane and MB consists of 76 species and 226 reaction steps including those for NOx.

• Transactions of the Korean Society of Automotive Engineers
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• v.11 no.6
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• pp.51-58
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• 2003

A cycle simulation method is developed by coupling a commercial code, Ricardo's WAVE, with the SENKIN code from CHEMKIN packages to predict combustion characteristics of an HCCI engine. By solving detailed chemical kinetics the SENKIN code calculates the combustion products in the combustion chamber during the valve closing period, i.e. from IVC to EVO. Except the combustion chamber during the valve closing period the WAVE code solves thermodynamic status in the whole engine system. The cycle simulation of the complete engine system is made possible by exchanging the numerical solutions between the codes on the coupling positions of the intake port at IVC and of the exhaust port at EVO. This method is validated against the available experimental data from recent literatures. Auto ignition timing and cylinder pressure are well predicted for various engine operating conditions including a very high ECR rate although it shows a trend of sharp increase in cylinder pressure immediate after auto ignition. This trend is overpredicted especially for EGR cases, which may be due to the assumption of single-zone combustion model and the limit of the chemical kinetic model for the prediction of turbulent air-fuel mixing phenomena. A further work would be needed for the implementation of a multi-zone combustion model and the effect of turbulent mixing into the method.

• Transactions of the Korean Society of Automotive Engineers
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• v.13 no.3
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• pp.74-79
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• 2005

The Homogeneous Charge Compression Ignition(HCCI) combustion is currently under intensive investigation because of its potential to increase thermal efficiency while greatly decreasing NOx and p.M. In order to account for the thermal boundary layer effects, the two-zone model has been developed to analyze the combustion characteristics of HCCI engine. The detailed chemistry are represented by the GRI mechanism 3.0 involving 53 species and 325reactions. The present combustion model has been validated against the experimental results. Computations are also made for the wide-range operating conditions of HCCI engine.

• Applied Chemistry for Engineering
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• v.22 no.6
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• pp.711-717
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• 2011

Two dimensional simulation results of a capacitively coupled oxygen plasma in a cylindrical reactor geometry are presented. Detailed electron impact reaction rates, which strongly depend on electron energy, are computed from collision cross sections of electrons with $O_2$ and O. Through the coupling of a three moment plasma model with a neutral chemistry/transport model are predicted spatiotemporal distributions of both charged species (electron, $O_2{^+}$, $O^+$, $O_2{^-}$, and $O^-$) and neutral species including ground states ($O_2$ and O) and metastables, known to play important roles in oxygen plasma, such as $O_2(a^1{\Delta}_g)$, $O_2(b^1{{\Sigma}_g}^+)$, $O(^1D)$, and $O(^1S)$. The simulation results clearly verify the existence of a double layer near sheath boundaries in the electronegative plasma.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.21 no.11
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• pp.1527-1537
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• 1997

Extinction characteristics and acoustic response of hydrogen-air diffusion flames at various pressures are numerically studied by employing counterflow diffusion flame as a model flamelet in turbulent flames in combustion chambers. The numerical results show that extinction strain rate increases linearly with pressure and then decreases, and increases again at high pressures. Thus, flames are classified into three pressure regimes. Such nonmonotonic behavior is caused by the change in chemical kinetic behavior as pressure rises. The investigation of acoustic-pressure response in each regime, for better understanding of combustion instability, shows different characteristics depending on pressure. At low pressures, pressure-rise causes the increase in flame temperature and chain branching/recombination reaction rates, resulting in increased heat release. Therefore, amplification in pressure oscillation is predicted. Similar phenomena are predicted at high pressures. At moderate pressures, weak amplification is predicted since flame temperature and chain branching reaction rate decreases as pressure rises. This acoustic response can be predicted properly only with detailed chemistry or proper reduced chemistry.

• Membrane Journal
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• v.20 no.1
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• pp.29-39
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• 2010

This study focuses on the modeling of DMFC to predict the characteristics and to improve its performance. This modeling requires deep understanding of the design and operating parameters that influence on the cell potential. Furthermore, the knowledge with reference to electrochemistry, transport phenomena and fluid dynamics should be employed for the duration of mathematical description of the given process. Considering the fact that MEA is the nucleus of DMFC, special attention was made to the development of mathematical model of MEA. Multiscale modeling is comprised of process modeling as well as a computational fluid dynamics (CFD) modeling. The CFD packages and process simulation tools are used in simulating the steady-state process. The process simulation tool calculates theelectrochemical kinetics as well as the change of fractions, and at the same time, CFD calculates various balance equations. The integrated simulation with multiscal modeling explains experimental observations of transparent DMFC.

• Journal of the Korea Organic Resources Recycling Association
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• v.31 no.1
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• pp.35-45
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• 2023

In this study, the sludge formation in the wastewater drain from the advanced packaging process mechanisms are revealed as well as the key factors, materials, and sludge prevention methods using surfactant. Compared with that of conventional packaging process, advanced packaging process employ similar process to the semiconductor fabrication process, and thus many processes may generate wastewater. In specific, a large amount of wastewater may generate during the carrier wafer bonding, photo, development, and carrier wafer debonding processes. In order to identify the key factors for the formation of sludge during the advanced packaging process, six types of chemicals including bonding glue, HMDS, photoresist (PR), PR developer, debonding cleaner, and water are utilized and mixing evaluation is assessed. As a result, it is confirmed that the black solid sludge is formed, which is originated by the sludge seed formation by hydrolysis/dehydration reaction of HMDS and sludge growth via hydrophobic-hydrophobic binding with sludge seed and PR. For the sludge prevention investigation, three surfactants of CTAB, PEG, and shampoo are mixed with the key materials of sludge, and it is confirmed that the sludge formations are successfully suppressed. The underlying mechanism behind the sludge formation is that the carbon tails of the surfactant bind to PR with hydrophobic-hydrophobic interaction and inhibit the reaction with HMDS-based slurry seeds to prevent the sludge formation. In this regard, it is expected that various problems like clogging in drains and pipes during the advanced packaging process may effectively solve by the injection of surfactants into the drains.

• Proceedings of the Korean Journal of Food and Nutrition Conference
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• 1997.06b
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• pp.11-12
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• 1997

니트로소디메틸아민이 발암성 물질이라는 것이 1954년 Barnes와 Magee에 의해 발견된 이래 이것이 지금까지 학자들에게 관심의 대상이 되고 있는 이유는 발암력이 강하여 극미량으로도 생체내에 암을 유발시킬 수 있을 뿐만 아니라, 대부분의 발암성 물질이 신체의 특정기관에 발암작용을 나타내는데 비해 이 물질은 신체의 여러 부위에 암을 유발시킬 수 있다는 점 그리고 이 물질이 햄, 소시지, 베이컨, 알코올음료, 김치 및 어류 가공품 등 어려 가지 식품에 널리 분포되어 있다는 사실 등을 들 수 있다. 니트로소 화합물은 구조로 보아 티트로소아민과 니트로소아미드로 구분되는데 전자는 제 2급 아연이 산화질소 유도체와 반응하여 생성된 니트로소 유도체이과 후자는 오소, 아미드 등이 치환된 니트로소 유도체로서 화학적인 성질이나 생물학적인 작용이 상이하다. 즉 니트로소아민은 식품에서 안정한 화합물인 반면에 대부분의 니트로소아미드는 불안정하다. 지금까지 연구된 바에 의하면 3백 여종의 니트로소 화합물에 대하여 동물실험을 행한 결과 발암성이 90% 이상 인정되었다. 식품 중 니트로소 화합물의 전구물질 중 질산염과 아질산염은 식품의 가공 저장 및 조리과정 중 니트로화의 된 전구물질인데 이는 육가공품의 색소고정, Cl. Botulinum에 의한 식중독 방지 및 풍미의 향상을 위하여 수 세기 동안 식품첨가제를 사용되어 왔으며, 유럽이나 미국 등지에서는 아직도 육가공품에 아질산염의 첨가가 논란의 대상이 되고 있다. 식품 중 니트로소 화합물에 대한 북유럽 식품 3천여 점을 분석한 결과 검출된 니트로소 화함물은 니트로소디메틸아민이 대부분이며 맥주에서 66%로 검출률이 가장 높았고 다음으로 염지육 및 치즈의 순 이었다. 조리한 일본산 해산 식품 중에 니트로소디메틸아민이 최고 313$\mu$g/kg, 캐나다산 해산 건조 식품에서는 67$\mu$g/kg, 홍콩산 염건어에는 1,400 $\mu$g/kg , 훈연어류에는 N-nitrosothiazolidine이 13,700 $\mu$g/kg , 우리 나라 해산 식품 중 니트로소디메틸아민은 건조가오리, 동결건조명태, 건조오징어, 굴비 및 소건새우 등에서 2.8~86.0 $\mu$g/kg 으로서 비교적 높은 양이 검출되었을 뿐 아니라 이들 식품을 조리할 경우 3.6~13배 증가하였다. 또한 김치와 젓갈류 중에서도 니트로소디메틸아민이 검출된다는 연구가 있다. 식품 중 니트로소 화합물의 생성율 억제시키기 위하여 최근 20여년간 연구된 바를 요약하면 아스코르브산과 같은 억제제의 첨가, 가공방법 및 조리방법의 개선이 비교적 바람직한 방법으로 인정되고 있다. 위의 방법을 적용하여 베이컨을 조리한 결과 낮은 온도에서 오랜 시간 가열하는 것이 높은 온도에서 짧은 시간 가열한 것보다 니트로화 반응이 훨씬 낮았고 또 마이크로웨이브로 조리하는 것이 니트로소아민을 최소화 시키는 방법이었다. 염지육은 아스코르브산이나 토코페롤 등의 니트로화 억제제를 첨가할 경우 니트로소 화합물이 현저히 감소 하였는데 이는 산화질소의 소거 능력이 우수하기 때문인 것으로 밝혀졌다. 가공방법의 개선으로서는 가공시 식품을 공기에 노출시킬 경우 특히 직화로 가열된 공기에 노출되면 니트로소아민의 생성이 매우 높은 것으로 보고되어 있는데 그 대표적인 예로 맥아를 직화로 건조할 경우 맥주 중에 니트로소 화합물이 훨씬 높은 양이 검출된다고 보고되어 있다. 대체로 식품의 가공 조리 및 저장 중 니트로소화합물에 대한 메커니즘은 상세히 밝혀져 있으나 생체내에서의 생성이나 억제 등에 대한 연구는 아직도 미흡한 실정이라이 분야에 대한 연구가 절실히 요구된다.