• Transactions of the Korean Society of Automotive Engineers
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• v.19 no.6
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• pp.46-52
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• 2011

Homogeneous charge compression ignition (HCCI) is the best concept able to provide low NOx and PM in diesel engine emissions. This new alternative combustion process is mainly controlled by chemical kinetics in comparison with the conventional combustion in internal combustion engine. However, HCCI engine's operation have an excessive rate of pressure rising during the combustion process. In this study, stratification condition of EGR exhaust gases was used to reduce the pressure rising during the combustion process in HCCI engine. Also, combustion characteristics and emissions characteristics were investigated using the detailed diesel surrogate reaction mechanism.

• Journal of the Korean Electrochemical Society
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• v.5 no.4
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• pp.221-225
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• 2002

Assisted by the highly sensitive confocal microprobe Raman spectrometer and proper surface roughening procedure, the Raman investigation on the adsorption and reaction of methanol was performed on Pt-Ru electrodes with different coverages. A detailed description of the roughening process of the Pt electrodes and the underpotential deposition of the Ru was given. Reasonably good Raman signal reflecting the metal-carbon vibration and CO vibration was detected. The appearance of vibrations of the Ru oxides, together with the existence of Ru-C, Pt-C and CO bands, clearly demonstrates the participation of the bi-functional mechanism during the oxidation process of methanol on Pt-Ru electrodes. The Pt-Ru electrode was found to have a higher catalytic activity over Pt electrodes. This preliminary study shows that electrochemical Raman spectroscopy can be applied to the study of rough electrode surface.

• Molecules and Cells
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• v.41 no.4
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• pp.331-341
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• 2018

L-pipecolic acid is a non-protein amino acid commonly found in plants, animals, and microorganisms. It is a well-known precursor to numerous microbial secondary metabolites and pharmaceuticals, including anticancer agents, immunosuppressants, and several antibiotics. Lysine cyclodeaminase (LCD) catalyzes ${\beta}$-deamination of L-lysine into L-pipecolic acid using ${\beta}$-nicotinamide adenine dinucleotide as a cofactor. Expression of a human homolog of LCD, ${\mu}$-crystallin, is elevated in prostate cancer patients. To understand the structural features and catalytic mechanisms of LCD, we determined the crystal structures of Streptomyces pristinaespiralis LCD (SpLCD) in (i) a binary complex with $NAD^+$, (ii) a ternary complex with $NAD^+$ and L-pipecolic acid, (iii) a ternary complex with $NAD^+$ and L-proline, and (iv) a ternary complex with $NAD^+$ and L-2,4-diamino butyric acid. The overall structure of SpLCD was similar to that of ornithine cyclodeaminase from Pseudomonas putida. In addition, SpLCD recognized L-lysine, L-ornithine, and L-2,4-diamino butyric acid despite differences in the active site, including differences in hydrogen bonding by Asp236, which corresponds with Asp228 from Pseudomonas putida ornithine cyclodeaminase. The substrate binding pocket of SpLCD allowed substrates smaller than lysine to bind, thus enabling binding to ornithine and L-2,4-diamino butyric acid. Our structural and biochemical data facilitate a detailed understanding of substrate and product recognition, thus providing evidence for a reaction mechanism for SpLCD. The proposed mechanism is unusual in that $NAD^+$ is initially converted into NADH and then reverted back into $NAD^+$ at a late stage of the reaction.

• Transactions of the Korean Society of Mechanical Engineers
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• v.19 no.3
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• pp.858-867
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• 1995

Characteristics of premixed flames in counter-flow system are numerically studied using a detailed chemical reaction mechanism including gas phase radiation. Without radiation effect accounted, low CO and high NO$_{x}$ emission indices are observed, when strain rate decreases, due to increased residence time and higher flame temperature. Higher NO$_{2}$ production has been also observed when two premixed flames are interacting or cold air stream is mixed with burned gas. The rate of NO$_{x}$ production and destruction is dependent upon the diffusional strength of H and OH radicals, the existence of NO and the concentration of HO$_{2}$. For radiating flames, the peak temperature and NO$_{x}$ production rate decreases as the strain rate decreases. At high strain rate, it is found that the effect of radiation on flame is little due to its negligible radiating volume. It is also found that NO$_{x}$ production from the interacting premixed flame is reduced due to reduced temperature resulting from radiation heat loss. It is concluded that the radiation from gas has significant effect of flame structure and on emission characteristics.ristics.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2003.05a
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• pp.221-224
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• 2003

A numerical study is carried out for the detonation wave propagation through a T-branch. The T-branch is a crucial part of the combustion wave igniter, a novel concept of rocket ignition system aimed for the simultaneous ignition of multiple combustion chambers by delivering detonation waves. Euler equation and induction parameter equation are used as governing equations with a reaction term modeled from the chemical kinetics database obtained from a detailed chemistry mechanism. Second-order accurate implicit time integration and third-order space accurate TVD algorithm were used for solution of the coupled equations. Over two-million grid points enabled the capture of the dynamics of the detonation wave propagation including the degeneration and re-initiation phenomena, and some of the design factors were be obtained for the CWI flame tubes.

• KEPCO Journal on Electric Power and Energy
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• v.5 no.2
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• pp.103-111
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• 2019

The combined cycle plant is an integration of gas turbine and steam turbine, combining the advantages of both cycles. It recovers the heat energy from gas turbine exhaust to use it to generate steam. The heat recovery steam generator plays a crucial role in combined cycle plants, providing the link between the gas turbine and the steam turbine. Simulation of the performance of the HRSG is required to study its effect on the entire cycle and system. Computational fluid dynamics has potential to become a useful to validate the performance of the HRSG. In this study a solver has been implemented in the open source code, OpenFOAM, for combustion simulation in the heat recovery steam generator. The solver is based on the steady laminar flamelet model to simulate detailed chemical reaction mechanism. Thereafter, the solver is used for simulation of HRSG system. Three cases with varying fuel injections and gas turbine exhaust gas flow rates were simulated and the results were compared with measurements at the system outlet. Predicted temperature and emissions and those from measurements showed the same trend and in quantitative agreement.

• Fire Science and Engineering
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• v.22 no.3
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• pp.234-238
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• 2008

Autoignition suppression of hydrogen/air premixed mixtures by $CF_3CHFCF_3(HFP)$ was investigated computationally. Numerical simulation was performed in isobaric and homogeneous system to evaluate the induction times. The detailed chemistry of 93 species and 817 reaction mechanism was introduced for hydrogen/air/HFP mixtures. The result of pure hydrogen/air mixture show that the resulting value of induction time depends relatively weakly on the definition used event though there are various criteria for defining the induction time such as the inflection of temperature, OH and $O_2$ concentrations generally. Also, the autoignition temperature of $H_2/air$ mixture is estimated to about 850K, which is corresponds to the literature value. In the case of HFP addition in $H_2/air$ mixture, the results shows that there are several inflection points of radical concentration, and hence it might be to use the temperature for defining ignition delay. When HFP is added to stoichiometric $H_2/air$ mixture, the effect of ignition delay is outstanding above 10% HFP concentration. As HFP concentration increases, both dilution and chemical effects contribute to delay the ignition. Also, the chemical effect on the ignition delay is more considerable with the higher HFP concentration.

• Applied Chemistry for Engineering
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• v.20 no.6
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• pp.593-602
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• 2009

For a long time, there is much interest in the superoxide anion radical as one of reactive oxygen species (ROS) not only in the basic research field of chemistry and physics but also in the life science (or biotechnology). Recently, it is becoming ever more vital since the toxic property of nanomaterials as well as advanced oxidation processes (AOP) frequently employed for controlling pollutants are connected with the formation of superoxide anion radicals. Despite many researches on superoxide anion radical, the quantitative information of its presence and its detailed reaction mechanism in aqueous environments remains largely unclear, causing the controversy and confusion. In this review paper, we attempted to summarize the physicochemical property, mechanisms, and applications of superoxide anion radical. In addition, we briefly incorporated the important application of superoxide anion radical in AOP, nanomaterials, and life science (or biotechnology).

• Journal of the Korean Chemical Society
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• v.30 no.1
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• pp.57-62
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• 1986

Oxidation of $[Mo_3O_4(C_2O_4)_3(H_2O)_3]^{2-}$ with HCr$O_4^-$ yields the molybdenum(Ⅳ) complex, $[Mo_2O_5(C_2O_4)_2(H_2O)_2]^{2-}$. Stoichiometry for the reaction of $[Mo_3O_4(C_2O_4)_3(H_2O)_3]^{2-}$ with HCr$O_4^-$ are expressed as $2Mo_3^{IV} + 4Cr^{VI} {\to} 3Mo_2^{VI} + 4Cr^{III}$. Observed rate constants are dependent on hydrogen ion concentration. The kinetic data are consistent with a mechanism in which three successive single-electron steps convert $Cr^{VI}$to $Cr^{III}$ by way of intermediate $Cr^V$ and $Cr^{IV}$. Detailed mechanisms are presented and discussed.

• Journal of the Microelectronics and Packaging Society
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• v.24 no.2
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• pp.49-53
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• 2017

We study on the change of electrical properties of two-dimensional (2D) $SnSe_2$ materials with respect to Cl doping as $SnSe_{1.994}Cl_{0.006}$ under a high temperature condition. (300~450 K) By the simple solid-state reaction method, non-and Cl-doped 2D $SnSe_2$ materials are successfully synthesized with negligible impurities as confirmed by X-ray diffraction. From the temperature dependence of resistivity, it is observed that the conduction mechanism is changed from hopping to degenerate conduction with Cl doping. By Hall effect measurement, an increase on electron carrier concentration from ${\sim}7{\times}10^{16}$ to ${\sim}3{\times}10^{18}cm^{-3}$ with Cl doping verifies that Cl is an effective electron donor which results in the encouraged carrier concentration. Detailed analysis for temperature dependent Hall mobility reveals that the electrical transports in high temperature regime are governed by the grain boundary-controlled mechanism for non-doped $SnSe_2$, which is effectively suppressed by Cl-doping as entering metallic transport regime.