• Environmental Engineering Research
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• 제11권4호
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• pp.217-231
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• 2006

The gas-phase formation of polychlorinated naphthalenes (PCNs) and dibenzofurans (PCDFs) was experimentally investigated by slow combustion of the three chlorophenols (CPs): 2-chlorophenol (2-CP), 3-chlorophenol (3-CP) and 4-chlorophenol (4-CP), in a laminar flow reactor over the range of 550 to $750^{\circ}C$ under oxidative condition. Contrary to the a priori hypothesis, different distributions of PCN isomers were produced from each CP. To explain the distributions of polychlorinated dibenzofuran (PCDF) and PCN congeners, a pathway is proposed that builds on published mechanisms of PCDF formation from chlorinated phenols and naphthalene formation from dihydrofulvalene. This pathway involves phenoxy radical coupling at unsubstituted ortho-carbon sites followed by CO elimination to produce dichloro-9, 10-dihydrofulvalene intermediates. Naphthalene products are formed by loss of H and/or Cl atoms and rearrangement. The degree of chlorination of naphthalene and dibenzofuran products decreased as temperature increased, and, on average, the naphthalene congeners were less chlorinated than the dibenzofuran congeners. PCDF isomers were found to be weakly dependent to temperature, suggesting that phenoxy radical coupling is a low activation energy process. Different PCN isomers, on the other hand, are formed by alternative fusion routes from the same phenoxy radical coupling intermediate. PCN isomer distributions were found to be more temperature sensitive, with selectivity to particular isomers decreasing with increasing temperature.

• 대한기계학회논문집B
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• 제21권2호
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• pp.213-223
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• 1997

Premixed flame is better than diffusion flame to accomplish a high loading combustion. Since the turbulent characteristics of unburned mixture has a great influence on the flame structure, it is general that many researchers realize a high loading combustion with strengthening turbulent intensity of unburned mixture. Because turbulent premixed flame reacts efficiently on the condition of distributed reaction region, we made high turbulent premixed flame in the doubled impingement field. We investigated turbulent characteristics of unburned mixture with increasing shear force and visualized flames with direct and Schlieren photographs. And the combustion characteristics of flame was elucidated by instantaneous temperature measurement with a thermocouple, by ion currents with a micro electrostatic probe, by radical luminescence intensity and local equivalence ratio. Extremely strong turbulent of small scale is generated by impingement of mixture, and turbulent intensity of unburned mixture increased with the mean velocity. As a result of direct photographs, visible region of flame became longer due to increasing central direction flux. But as strengthed turbulent intensity, visible region of flame turned to shorter and reaction occurred efficiently. As strengthened turbulent intensity of mixture with increasing flux of central direction, maximum fluctuating temperature region moved to radial direction and fluctuation of temperature became lower. The reason is influx of central direction which caused flame zone to move toward radial direction, to maintain flame zone stable and to make flame scale smaller.

• 한국연소학회지
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• 제15권4호
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• pp.9-14
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• 2010

Numerical simulations of freely propagating fuel-rich $CH_4/CH_3Cl$ premixed flames were performed at atmospheric pressure in order to understand the effect of the oxygen enrichment on the production of PAH. A chemical kinetic mechanism was used, which involved 157 gas-phase species and 1693 forward reactions. The calculated flame speeds were compared with the experiments for the flames established on the equivalence ratios of 1~1.6, the results of which were in good agreement. As the level of oxygen enrichment was increased, the concentrations of one or four ring aromatic hydrocarbons were decreased. This might cause the fact that the contribution of PAH species to soot was weakened.

• 한국연소학회지
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• 제13권1호
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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.

• 한국연소학회지
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• 제3권2호
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• pp.29-40
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• 1998

Flame structures and NOx formation characteristics in the flame lets of coflow and counterflow diffusion flame are numerically studied. Calculations were carried out twice with the $C_2-Full$ and $C_2-Thermal$ Mechanism for each flame. Mixture fractions and scalar dissipation rates are used as the parameters to compare the flame let structures and NOx formation characteristics quantitatively. It was found that there is a similarity in flame temperature and stable species profiles except radical profiles between two flamelets. And there are some differences in NOx concentration and production rates. These results imply that the flow effects must be considered in calculations for NOx formation of turbulent flames using Laminar Flamelet Model.

• 한국연소학회지
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• 제20권4호
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• pp.49-55
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• 2015

A short kinetic mechanism for premixed benzene/air flames was developed with a reduction method of Simulation Error Minimization Connectivity Method(SEM-CM). It consisted of 38 species and 336 elementary reactions. Flame speeds were calculated and compared with those from full mechanisms and experiments of other researchers. Flame temperature, the heat release rate, the concentration profiles of major species and radicals were also calculated with both mechanism. Those comparisons are in good agreement between the full mechanism and the short mechanism at high pressure condition. In numerical work the running time with the short mechanism was over 12 times faster than one with the full mechanism.

• 한국연소학회지
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• 제20권4호
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• pp.34-41
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• 2015

Oxy-methane nonpremixed flames diluted with $CO_2$ were investigated to clarify impact of radiation heat loss and chemical effects of additional $CO_2$ to oxidizer stream on flame extinction. Flame stability maps were presented with functional dependencies of critical diluents mole fraction upon global strain rate at several oxidizer stream temperatures in $CH_4-O_2/N_2$, $CH_4-O_2/CO_2$, and $CH_4-O_2/CO_2/N_2$ counterflow flames. The effects of radiation heat loss on the critical diluent mole fractions for flame extinction are not significant even at low strain rate in nonpremixed $CH_4-O_2/N_2$ diffusion flame, whereas those are significant at low strain rate and are negligible at high strain rate (> $200s^{-1}$) in $CH_4-O_2/CO_2$ and $CH_4-O_2/CO_2/N_2$ counterflow flames. Chemical effects of additional $CO_2$ to oxidizer stream on the flame extinction curves were appreciable in both $CH_4-O_2/CO_2$ and $CH_4-O_2/CO_2/N_2$ flames. A scaling analysis based on asymptotic solution of stretched flame extinction was applied. A specific radical index, which could reflect the OH population in main reaction zone via controlling the mixture composition in the oxidizer stream, was identified to quantify the chemical kinetic contribution to flame extinction. A good correlation of predicted extinction limits to those calculated numerically were obtained via the ratio between radical indices and oxidizer Lewis numbers for the target and baseline flames. This offered an effective approach to estimate extinction strain rate of nonpremixed oxy-methane flames permitting air infiltration when the baseline flame was taken to nonpremixed $CH_4-O_2/N_2$ flame.

• 한국연소학회지
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• 제20권3호
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• pp.8-12
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• 2015

The CO reduction characteristics of hot air stream diluted with exhaust gas in a perfectly stirred reactor (PSR) were investigated numerically. The dilution ratio ($\Omega$), inlet temperature ($T_{in}$), and residence time ($\tau$) were considered as parameters to investigate the effects of those on the emission indices for CO and $CO_2$ (EICO and $EICO_2$). The roles of dominant reactions and the production rates of major species were analyzed. It was found from the EICO trend that the supplied CO in the air stream was consumed. The EICO increased negatively with $T_{in}$ at fixed $\tau$ regardless of $\Omega$. However, the magnitude of EICO and minimum inlet temperature for CO reduction showed complicated trend according to the variation of $\tau$. It was identified that the OH radical, generated from the reactions, $O_2+H{\leftrightarrow}O+OH$ and $2OH{\leftrightarrow}H+H_2O$, affected the CO reduction by the reaction, $CO+OH{\leftrightarrow}H+CO_2$. However, the CO emission ratio increased at sufficiently high inlet temperature range due to the thermal dissociation of $CO_2$.

• 한국연소학회지
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• 제13권1호
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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.

• 한국수소및신에너지학회논문집
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• 제31권5호
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• pp.467-479
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• 2020

Various researches are being conducted to reduce greenhouse gases generated by the consumption of traditional energy resources. This study was conducted to numerically analyze the combustion characteristics and N-S reaction behavior with respect to the H₂ content of syngas composed of CO and H₂ in pressurized air combustion. A non-premixed opposed flow flame model was applied a modified detailed mechanism with S-chemistry was developed based on GRI 3.0 to simulate the syngas reaction. As the hydrogen content increased, the flame thickness increased due to the fast reactivity of hydrogen. In the rich region, NO and SO₂ were reduced by reaction with H radical and H bonding of NO was suppressed by the formation of HOSO.