• Transactions of the Korean Society of Mechanical Engineers B
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• v.34 no.4
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• pp.365-373
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• 2010

A chemical reactor model (CRM) was developed for a jet stirred reactor (JSR) to predict the emission of exhaust such as NOx. In this study, a two-PSR model was chosen as the chemical reactor model for the JSR. The predictions of NO formation in lean premixed methane-air combustion in the JSR were carried out by using CHEMKIN and GRI 3.0 methane-air combustion mechanism which include the four NO formation mechanisms. The calculated results were compared with Rutar's experimental data for the validation of the model. The effects of important parameters on NO formation and the contributions of the four NO pathways were investigated. In the flame region, the major pathway is the prompt mechanism, and in the post flame region, the major pathway is the Zelodovich mechanism. Under the lean premixed condition, the N2O mechanism is the important pathway in both flame and postflame regions.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.41 no.11
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• pp.749-757
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• 2017

To cope with the development of alternative fuels and international environmental regulations, this study provides a numerical analysis of the effects of composition and temperature changes of n-decane and ethanol on auto-ignition characteristics. CHEMKIN-PRO is used as the analysis program and the LLNL model is used as the reaction model. The numerical results show that the ignition delay time increases as the mole fraction of ethanol increases for temperatures below 1000 K, where low temperature reactions occur. Because of the high octane number of ethanol, the high percentage of ethanol delays the increase in the concentration of OH radicals that cause ignition. The oxygen concentration in the mixture is changed to apply the exhaust gas recirculation and a numerical analysis is then performed. As the oxygen concentration decreases, the total ignition delay time increases because the nitrogen gas acts as a thermal load in the combustion chamber.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.39 no.12
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• pp.945-952
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• 2015

The autoignition characteristics of biosyngas were investigated both numerically and experimentally. The effects of the temperature, gas composition, and pressure on the autoignition characteristics were evaluated. A shock tube was employed to measure the ignition delay times of the biosyngas. The numerical study on the ignition delay time was performed using the CHEMKIN-PRO software to validate the experimental results and predict the chemical species in the combustion process. The results revealed that the ignition delay time increased with an increase in the hydrogen fraction in the mixture. Under most temperature conditions, the ignition delay time decreased with a pressure increase. However, the ignition delay time increased with an increase in pressure under relatively low temperature conditions.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.36 no.2
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• pp.225-232
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• 2012

A chemical reactor network (CRN) was developed for a lean premixed gas turbine combustor to predict the emission of pollutants such as NOx and CO. In this study, the predictions of NOx and CO emissions from lean premixed methane-air combustion in the gas turbine were carried out using CHEMKIN and a GRI 3.0 methane-air combustion mechanism, which includes the four NO formation mechanisms for various load conditions. The calculated results were compared with experimental data obtained from a modified test combustor to validate the model. The contributions of the four NO pathways were investigated for various load conditions. The effects of nonuniformity of the mass flux and of the equivalence ratio of the injector on the NOx formation were investigated, and a method of reducing the pollutant formation was suggested for the development of a sub-10 ppm gas turbine combustor.

• Journal of the Korean Society of Marine Environment & Safety
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• v.18 no.2
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• pp.139-144
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• 2012

A numerical simulation has been performed to investigate effects of toluene mixing on soot formation in pure ethylene opposed-flow nonpremixed flame. Mixture ratios of toluene were 3%, 5%, 10%, and 20%. Senkin code for 0-D simulation and oppdif code for 1-D simulation based on CHEMKIN III were utilized. 0-D results by senkin showed that concentrations of methyl radicals and benzene were increased with increasing toluene mixture ratio. This implied that the mixing of toluene in pure ethylene diffusion flame produces more PAHs and soot than those of pure ethylene flame. 1-D result of 10 % toluene reaction by oppdif code showed that production rate for H radical was a crucial factor for benzene formation. These results imply that methyl radical, benzene and H radical play a important role on soot formation in diffusion flames.

• International Journal of Automotive Technology
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• v.7 no.4
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• pp.501-508
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• 2006

The effect of chemical additives, such as dimethyl ether(DME), ethanol, carbon disulfide on the soot formation were examined numerically. ill this study, the Frenklach soot mechanism was used as a base mechanism to predict the soot formation in the ethane flame. The combination of Westbrook's DME mechanism, Marinov's ethanol mechanism, and chemical kinetic mechanism for hydrogen sulfide and carbon disulfide flames was made with the base mechanism because the DME, ethanol, $CS_2$ additives are added into the ethane fuel. CHEMKIN code was used as a numerical analysis software to simulate the effect of chemical additives on reduction of the polycyclic aromatic hydrocarbons(PAH's) which are soot precursors. From the numerical results it is observed that addition of DME, ethanol and $CS_2$ into ethane fuel can reduce PAH species significantly. That means theses additives can reduce soot formation significantly. Results also strongly suggest suppression of soot formation by these additives to be mainly a chemical effect. Hand OH radicals may be the key species to the reduction of PAH species for additives.

• 한국연소학회:학술대회논문집
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• 2004.11a
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• pp.49-54
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• 2004

Detailed flame structures of the opposed flames formed for different oxidant compositions are studied numerically. The detailed chemical reactions are modeled by using the CHEMKIN code. Only the $CO_2$ and $H_2O$ are assumed to participate by absorbing the radiative energy while all other gases are assumed to be transparent. The discrete ordinates method and the narrow band based WSGGM with a gray gas regrouping technique are applied for modeling the radiative transfer through non-homogeneous and non-isothermal combustion gas mixtures generated by the opposed flow flames. The results show that the different radiation model can cause different results for flame structures and the WSGGM with gray gas regrouping is successful in modeling the opposed flames with non-gray gas mixture. The numerical results show that the increases in $CO_2$ and $H_2O$ compositions cause to reduce the flame temperature and the NO formation.

• 한국연소학회:학술대회논문집
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• 2014.11a
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• pp.91-94
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• 2014

In this study, the laminar burning velocities of SNG fuel were studied using both experimental measurements and kinetic simulations. They were measured using the angle method of Bunsen flame configuration and the annular diverging channel combustor. And they were also numerically calculated by CHEMKIN Package with GRI 3.0 mechanisms. Spectrometer was used for characteristics of flame chemiluminescence of SNG fuels. From results of this work, first, we found that according to adding $H_2$ contents in the fuels the laminar burning velocities of SNG fuels were increased. And second, we also discovered existence of OH*, CH*, $C_2*$, HCO*, $CH_2*$ radicals and their correlation.

• Journal of Korean Society for Atmospheric Environment
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• v.18 no.2
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• pp.85-94
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• 2002

In this study, a 3-dimensional numerical model, has been developed applied for the investigation of combustion characteristics, and used to optimize operating conditions in MSW incinerator, in Gwangju. The model developed in this study has been verified by exacting both the predicted and the measured temperature in combustion chamber which has been operated to provide a reference condition. By predictive results, the Sangmoo incinerator has a good characteristics of combustion and low emission however after burning zone produced incomplete products, also probably because the supply of primary air was not enough. Parametric screening studies have been conducted to study optimal operating conditions. For the optimal combustion characteristics, operating conditions should be adjusted with the waste properties.

• 한국연소학회:학술대회논문집
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• 2004.06a
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• pp.89-92
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• 2004

This work describes a model development and numerical simulation of detailed combustion mechanisms of RDX/GAP/BTIN propellants. The analysis is based on the conservation equations of mass, energy, and species concentrations for both the condensed and gas phases, and takes into account finite-rate chemical kinetics and variable thermophysical properties. The model has been applied to study the combustion wave structures and burning characteristics of RDX/GAP/BTIN propellants over a broad range of pressures. Reasonably good agreement is achieved between the calculated and measured burning rate at atmospheric pressure. But the model calculation does not result in dark zone experimentally observed.