• Transactions of the Korean Society of Mechanical Engineers B
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• v.22 no.2
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• pp.193-204
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• 1998

Numerical analysis was performed with multicomponent transport properties and detailed reaction mechanisms for axisymmetric 2-D CH$_{4}$ jet diffusion flame. Calculations were carried out twice with the $C_{2}$-Thermal Mechanism including $C_{2}$ and thermal NO reactions and the $C_{2}$-Full Mechanism including prompt NO reactions in addition to the above $C_{2}$-Thermal NO mechanism. The results show that the flame structures such as flame temperature, major and minor species concentration are indifferent to respective mechanisms. The production path of Thermal NO is dominant comparing with that of Prompt NO in total NO production of pure CH$_{4}$ jet diffusion flame. This is because thermal NO mechanism mainly contributes to positive formation of NO in the whole flame region, but Prompt NO mechanism contributes to negative formation in the fuel rich region. In addition, 0$_{2}$ penetration near the nozzle outlet affects the flame structures, especially N0$_{2}$ formation characteristics.

• Transactions of the Korean Society of Automotive Engineers
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• v.19 no.4
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• pp.64-71
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• 2011

Homogeneous charge compression ignition (HCCI) was the best concept able to provide low NOx and PM in diesel engine emissions. This new alternative combustion process was mainly controlled by chemical kinetics in comparison with the conventional combustion in internal combustion engine. In this paper, detailed kinetic reaction mechanisms of diesel surrogate was investigated to understand the diesel HCCI engine combustion. It was tested two existing mechanisms and two new mechanisms for the comparison of experimental result. The best mechanism for diesel surrogate was suggested through this comparison.

• Journal of the Korean Society of Combustion
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• v.16 no.2
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• pp.16-22
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• 2011

It is a challenging task to apply large detailed chemical mechanisms of fuel oxidation in simulation of complex combustion phenomena. There exist a few systematic methodologies to reduce detailed chemical mechanisms to smaller sizes involving less computational load. This research work concerns generation of a skeletal chemical mechanism by a directed relation graph with specified accuracy requirement. Two sequential stages for mechanism reduction are followed in a perfectly stirred reactor(PSR) for high temperature chemistry and to consider the autoignition delay time for low and high temperature chemistry. Reduction was performed for the detailed chemical mechanism of n-heptane consisting of 561 species and 2539 elementary reaction steps. Validation results show acceptable agreement for the autoignition delay time and the PSR calculation in wide parametric ranges of pressure, temperature and equivalence ratio.

• 한국연소학회:학술대회논문집
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• 2014.11a
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• pp.169-174
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• 2014

Detonation propagation studies is recently getting more attention in these days for its feasibility in aerospace application. Another motivation for this study is the safety concern in industries, since the detonation can cause failure to the mechanical components particularly when the flame accelerates within a pipe or tubes. In this study we numerically simulated a Moderately unstable detonation case with various grid systems and fluid dynamic length scales and have compared in the contents. Moderately Unstable detonation case was selected for this study and detailed Hydrogen-Air Reaction Mechanisms proposed by Jachimowski was used in this study with N2 as inert species.

• 한국연소학회:학술대회논문집
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• 2004.06a
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• pp.57-63
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• 2004

A two-dimensional direct numerical simulation was performed to investigate the flame behaviors of $CH_4/N_2$-Air counterflow nonpremixed flame interacting with a single vortex. The detailed transport properties and a modified 16-step augmented reduced mechanism based on Miller and Bowman's detailed reaction mechanism are adopted in this calculation. The results showed that an initially flat stagnation plane, on which an axial velocity was zero, was deformed into a complex-shaped plane, and an initial stagnation point was moved far away from a vortex head when the counterflow field was perturbed by the vortex. It was noted that the movement of stagnation point could alter the species transport mechanism to the flame surface. It was also identified that the altered species transport mechanism affected the distributions of the mixture fraction and the scalar dissipation rate.

• 한국연소학회:학술대회논문집
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• 2014.11a
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• pp.5-7
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• 2014

A skeletal mechanism of coal combustion was derived from a detailed coal combustion kinetic mechanism through an importance analysis of chemical pathways. The reduction process consists of roughly two parts. The first process is performed based on a connectivity analysis between species. In this process, DRGEPSA is chosen for reduction process. Strongly connected species and related reactions from the important species set as start species by the operator are sorted into the reduced mechanism. About 70% of species and reactions can be removed with a limited accuracy loss. Subsequently the second reduction process, CSP, is performed. This method focuses on an importance of each reaction and can reduce a volume of mechanism appropriately. Through these analyses, a skeletal mechanism is generated that is including 65 species and 150 reactions. The generated skeletal mechanism is verified through a comparison with the detailed mechanism in the homogeneous reactor model of CHEMKIN-PRO under wide range of conditions. The generated mechanism can give an advantage in the analysis of coal combustion characteristics in detail in large scale simulations such as LES and DNS.

• 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.

• Journal of the Korean Society of Combustion
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• v.13 no.1
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• pp.10-16
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• 2008

Numerical simulations of freely propagating premixed flames burning mixtures of methane and chlorinated hydrocarbons in fuel are performed at atmospheric pressure in order to understand the effect of chlorinated hydrocarbons on the formation of nitrogen oxide. A detailed chemical reaction mechanism is used, the adopted scheme involving 89 gas-phase species and 1017 elementary forward reaction steps. Chlorine atoms available from chlorinated hydrocarbons inhibit the formation of nitrogen oxides by lowering the concentration of radical species. The reduction of NO emission index calculated with thermal or prompt NO mechanism is not linear and is probably related to the saturation effect as $CH_3Cl$ addition is increased, In the formation or consumption of nitrogen oxide, the $NO_2$ and NOCl reactions play an important role in lean flames while the HNO reactions do in rich flames. The molar ratio of Cl to H in fuel has an effect on the magnitude of NO emission index.

• Journal of the Korean Society of Food Science and Nutrition
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• v.23 no.5
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• pp.867-878
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• 1994

A general overview of the lipid peroxidation and its nutritional significance are presented ,with emphasis on the reaction mechaisms, peroxidized products, further interaction and nutritional/biological deterioration in a series of oxidative process. Overall mechanism with various factors and elements for initiation , propagation and termination of free radical reaction is reviewed and the primary /secondary products of peroxidized lipids are defined. Since these products are potentially reactive substances that can cause deterioration of proteins /amino acids and vitamins (carotene, tocopherols and ascorbic acid etc), mechanism and actual damages of their deterioration in some foods and biological models are outlined. Especially , chemical changes caused by interaction of peroxidized products (related hydroperoxides, radicals and malonaldehye etc) and protein are emphasized here. And also, the detailed mechanisms on radical scavenging of the these vitamins which are the most prominent natural antioxidants are presented . Additionally , the possible roles of peroxidicaed lipids and their secondary products in the process of aging an carcinogenesis are briefly discussed . However, it is important to not that more detailed and integrated studies on the reaction kinetics, energetics of peroxidation, their decomposed products , biochemical interaction potential damaging/aging / carcinogenic effects, protection from their oxidative spoilage and novel antioxidants in food and heterogeneous biological systems will be essential in order to assessing the implication of lipid peroxidation to human nutrition and health.

• Transactions of the Korean Society of Automotive Engineers
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• v.6 no.4
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• pp.166-177
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• 1998

Combustion characteristics of natural gas premixed flames is studied experimently and numerically by adopting a counterflow as a flamelet model in turbulent flames. Flame speeds are measured by employing LDV, and the results show that flame speed increases linearly with strain rate, which agrees well with numerical results. Parametric dependences of extinction strain rates are studied numerically with detailed kinetic mechanism to show that the addition of ethand to a methane premixed flame makes the flame more resistant to strain rate. The effect of pressure on the extinction strain rate is that the extinction strain rate increases up to 10 atm and them decreases, which is explained by competition of chain branching H+O2=OH+O and recombination reaction H+O2+M=HO2+M. Detailed mechanism having seventy-four step is systematically reduced to a nine-step and a five-step thermal NOx chemistry is reduced to two-step. Comparison between the results of the detailed and the reduced mechanisms demonstrates that the reduced mechanism successfully describes the essential features of natural gas premixed flames including extinction strain rate and NOx production.