• Transactions of the Korean Society of Mechanical Engineers
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• v.19 no.8
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• pp.1989-1998
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• 1995

Characteristics of the flame propagation for normal and abnormal combustion in hydrogen premixture in a cylindrical constant-volume combustion chamber are studied numerically. A detailed hydrogen oxidation kinetic mechanism, mixture transport properties and a model describing spark ignition process are used. The calculated pressure-time history of the stable deflagration wave propagation agrees well with the experiment. The ignition of the premixture in the unburned gas, initiated by the hot spot, causes a transition from deflagration to detonation under some initial temperature and pressure. Under the initial conditions with high temperature and pressure, excessive ignition energy initiates a strong blast wave and a detonation wave that follows. The chemical reaction in the detonation wave is much more vigorous than that in the deflagration wave and the peak pressure in the detonation wave is much higher than the equilibrium value.

• 한국가시화정보학회:학술대회논문집
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• 2004.04a
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• pp.29-36
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• 2004

A numerical study is carried out on the detonation wave propagation through a T-shaped flame tube, which represents a crucial part of the combustion wave ignition (CWI) system aimed for simultaneous ignition of multiple combustion chambers by delivering detonation waves. The formulation includes the Euler equations and an induction-parameter model. The reaction rate is treated based on a chemical kinetics database obtained from a detailed chemistry mechanism. A second-order implicit time integration and a third-order TVD algorithm are Implemented to solve the theoretical model numerically. A total of more than two-million grid points are used to provide direct insight into the dynamics of the detonation wave. Several important phenomena including detonation wave propagation, degeneration, and re-initiation are carefully examined. Information obtained can be effectively used to facilitate the design and optimization of the flame tubes of CWI systems.

• 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.

• 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.

• Proceedings of the Korea Society of Environmental Toocicology Conference
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• 2003.05a
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• pp.107-107
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• 2003

The heavy metal cadmium is a xenobiotic toxicant of environmental and occupational concern and it has been classified as a human carcinogen. Inhalation of cadmium has been implicated in the development of emphysema and pulmonary fibrosis, but, the detailed mechanism by which cadmium induces adverse biological effects is not yet known. Therefore, we undertook the investigation of genes that are induced after cadmium exposure to illustrate the mechanism of cadmium toxicity For this purpose, we employed the polymerase chain reaction-based suppression subtractive hybridization technique. We identified 29 different cadmium-inducible genes in human peripheral mononuclear cells, such as macrophage migration inhibitory factor, lysophosphatidic acid acyltransferase-${\alpha}$, enolase-1${\alpha}$, VEGF, Bax, neuron-derived orphan receptor-1, and Nur77, which are known to be associated with inflammation, cell survival, and apoptosis. Induction of these genes by cadmium treatment was further confirmed by semi-quantitative reverse-transcription polymerase chain reaction. Further, we found that these genes were also induced after cadmium exposure in normal human lung fibroblast cell line, WI-38, suggesting potential use of this induction profile to monitor cadmium toxicity in the lung. Next, Nur77, one of cadmium-inducible genes, was further studied since the products of Nur77 are known to be involved in the apoptotic process of lung cells. Following cadmium treatment, Nur77 gene expression was increased at protein-level in A549 cells. Consistently, the reporter containing Nur77 binding sequence was activated by 2.5-fold after exposure to cadmium in reporter gene analysis by transient transfection experiments. When the plasmid encoding dominant negative Nur77 that represses the transcriptional function of wild-type Nur77 was transfected into A549 cells, the expression of Bax was significantly reduced, suggesting that induction of Nur77 was an important process in cadmium-induced apoptosis in the cells. Cadmium induced the expression of Nur77 in vivo, confirming the relevance of the data obtained in viro. Together our results suggest that Nur77 gene expression in exposure to cadmium leads apoptosis of lung cells which may cause pathological changes in lung.

• Journal of the Korean Society of Combustion
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• v.18 no.4
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• pp.29-36
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• 2013

Numerical study was conducted to clarify effects of added $CO_2$ for the downstream interaction between $H_2$-air and CO-air premixed flames in counterflow configuration. The reaction mechanism adopted was Davis model which had been known to be well in agreement with reliable experimental data. The results showed that both lean and rich flammable limits were reduced. The most discernible difference between the two with and without having $CO_2$ addition into $H_2$-air and CO-air premixtures was two flammable islands for the former and one island for the latter at high strain flame conditions. Even a small amount of $H_2$, in which $H_2$-air premixed flame cannot be sustained by itself, participates in CO oxidation, thereby altering the CO-oxidation reaction path from the main reaction route $CO+O_2{\rightarrow}CO_2+O$ with a very long chemical time in CO-air flame to the (H, O, OH)-related reaction routes including $CO+OH{\rightarrow}CO_2+H$ with relatively short chemical times. This intrinsic nature alters flame stability maps appreciably. The results also showed that chemical effects of added $CO_2$ suppressed flame stabilization. Particularly this phenomenon was appreciable at flame conditions which lean and rich extinction boundary was merged. The detailed discussion of chemical effects of added $CO_2$ was addressed to the present downstream interaction.

• Transactions of the Korean Society of Automotive Engineers
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• v.15 no.4
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• pp.146-153
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• 2007

The detailed chemistry with reaction mechanism of GRI 2.11, which consists of 49 species and 279 elementary reactions, have been numerically conducted to investigate the flame structure and NO emission characteristics in a non-premixed counterflow flame of blended fuel of $H_2/CO_2/Ar$. The combination of $H_2,\;CO_2$, and Ar as fuel is selected to clearly display the contribution of hydrocarbon products to flame structure and NO emission characteristics due to the breakdown of $CO_2$. Radiative heat loss term is involved to correctly describe the flame dynamics especially at low strain rates. All mechanisms including thermal, $NO_2,\;N_2O$, and Fenimore are also taken into account to separately evaluate the effects of $CO_2$ addition on NO emission characteristics. The increase of added $CO_2$ quantity causes flame temperature to fall since at high strain rates diluent effect is prevailing and at low strain rates the breakdown of $CO_2$ produces relatively populous hydrocarbon products and thus the existence of hydrocarbon products inhibits chain branching. It is also found that the ratio of the contribution by Fenimore mechanism to that by thermal mechanism in the total mole production rate becomes much larger with increase in the $CO_2$ quantity and strain rate, even though the absolute quantity of NO production is deceased. Consequently, as strain rate and $CO_2$ quantity increase, NO production by Fenimore mechanism is remarkably augmented.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2003.05a
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• pp.32-33
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• 2003

Mechanism of a periodic oscillation of shock-induced combustion over a two- dimensional wedges and axi-symmetric cones were investigated through a series of numerical simulations at off-attaching condition of oblique detonation waves(ODW). A same computational domain over 40 degree half-angle was considered for two-dimensional and axi-symmetric shock-induced combustion phenomena. For two-dimensional shock-induced combustion, a 2H2+02+17N2 mixture was considered at Mach number was 5.85with initial temperature 292 K and initial pressureof 12 KPa. The Rankine-Hugoniot relation has solution of attached waves at this condition. For axi-symmetric shock-induced combustion, a H2+2O2+2Ar mixture was considered at Mach number was 5.0 with initial temperature 288 K and initial pressure of 200 mmHg. The flow conditions were based on the conditions of similar experiments and numerical studies.[1, 3]Numerical simulation was carried out with a compressible fluid dynamics code with a detailed hydrogen-oxygen combustion mechanism.[4, 5] A series of calculations were carried out by changing the fluid dynamic time scale. The length wedge is varied as a simplest way of changing the fluid dynamic time scale. Result reveals that there is a chemical kinetic limit of the detached overdriven detonation wave, in addition to the theoretical limit predicted by Rankine-Hugoniot theory with equilibrium chemistry. At the off-attaching condition of ODW the shock and reaction waves still attach at a wedge as a periodically oscillating oblique shock-induced combustion, if the Rankine-Hugoniot limit of detachment isbut the chemical kinetic limit is not.Mechanism of the periodic oscillation is considered as interactions between shock and reaction waves coupled with chemical kinetic effects. There were various regimes of the periodicmotion depending on the fluid dynamic time scales. The difference between the two-dimensional and axi-symmetric simulations were distinct because the flow path is parallel and uniform behind the oblique shock waves, but is not behind the conical shock waves. The shock-induced combustion behind the conical shockwaves showed much more violent and irregular characteristics.From the investigation of characteristic chemical time, condition of the periodic instability is identified as follows; at the detaching condition of Rankine-Hugoniot theory, (1) flow residence time is smaller than the chemical characteristic time, behind the detached shock wave with heat addition, (2) flow residence time should be greater than the chemical characteristic time, behind an oblique shock wave without heat addition.

• Journal of the Korean Society of Combustion
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• v.13 no.1
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• pp.31-43
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• 2008

Oxy-fuel flame has a significantly different structure from that of air-fuel flame because of its high temperature. This study is aimed to find out the difference of the oxy-fuel flame structure in order to understand reaction mechanism closely, which is crucial to design real-scale oxy-fuel combustion system. By examining pictures of counterflow flame and LIF images, we found that oxy-fuel flame had two-zone structure: fuel decomposition region and distributed CO oxidation region. In the oxy-fuel flame, OH radical was distributed intensely through the whole flame due to its higher flame temperature than crossover temperature. For showing those features of the oxy-fuel flame, 1 MW scale IFRF oxy-natural gas burner was simulated by conditional moment closure(CMC) model. Calculation results were compared with experimental data, and showed agreements in trend. In the simulated distributions of fuel decomposition/CO oxidation rates, CO oxidation region was also separated from fuel decomposition zone considerably, which showed the two-zone structure in the oxy-fuel flame.

• 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.