• 한국연소학회:학술대회논문집
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• 2012.11a
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• pp.341-344
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• 2012

The prediction performance of the chemical kinetics for the numerical simulation of MILD combustion was investigated. A wall-confined turbulent methane jet combustor was adopted as a configuration. Four chemical kinetics, such as a global 3-step, WD4, Skeletal, and DRM-19, were investigated, The air stream of the wall-confined MILD jet combustor was diluted with combustion products. It was found that the DRM-19 was optimal for the numerical simulation of the MILD combustion.

• Resources Recycling
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• v.23 no.6
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• pp.47-53
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• 2014

Effective treatment and energy conversion technologies are necessary due to the ban of the dumping of organic waste including the sewage sludge. In this study, the kinetics of pyrolysis and combustion were derived in a TGA and thermobalance reactor, which is essential for thermal conversion of sewage sludge to energy. Three steps are shown for the pyrolysis in TGA and the different pre-exponential factors and activation energies are derived depending on the temperature range. Three models of gassolid reaction were applied to the reaction kinetics analysis for the combustion of sewage sludge char and shrinking core model was an appropriated model. Apparent activation energy and pre-exponential factor were evaluated and the effect of oxygen partial pressure was examined.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.941-952
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• 2012

In the present contribution the Encounter Theory (ET) (the prototype of the classical Collision Theory in rarefied gases) concepts for widely occurring diffusion assisted irreversible bulk reactions A + A ${\rightarrow}$ C and A + B ${\rightarrow}$ C in liquid solutions examined by the authors in the literature are analyzed and compared with each other for these different types of reactions. It is shown that for a particular case of equal initial concentrations $[A]_0=[B]_0$ in the reaction A + B ${\rightarrow}$ C, when the kinetics of both reactions A + A ${\rightarrow}$ C and A + B ${\rightarrow}$ C in the framework of formal chemical kinetics and ET are the same, the accumulation of macroscopic correlations breaking the concepts of independent encounters and leading to the Generalized Encounter Theory (GET) are drastically different. The influence of the force interaction and the decay of nonstable reactants on the time behavior the macroscopic correlations is also briefly discussed.

• Environmental Engineering Research
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• v.11 no.5
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• pp.250-256
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• 2006

The combustion kinetics of poly(ethylene terephthalate) (PET) was studied by the dynamic model which accounts for the thermal decomposition of polymer at any time. The kinetic analysis was performed by a conventional nonisothermal thermogravimetric (TG) technique at several heating rates between 10 and 40 K/min in air atmosphere. The thermal decomposition of PET in air atmosphere was found to be a complex process composed of at least two stages for which kinetic values can be calculated. The combustion kinetic analysis of PET gave apparent activation energy for the first stage of $257.3{\sim}269.9\;kJ/mol$, with a value of $140.5{\sim}213.8\;kJ/mol$ for the second stage. To verify the effectiveness of the kinetic analysis method used in this work, the kinetic analysis results were compared with those of various analytical methods. The kinetic parameters were also compared with values of the pyrolysis of PET in nitrogen atmosphere.

• Journal of the Korean Society of Combustion
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• v.13 no.1
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• pp.17-22
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• 2008

A partly implicit/quasi-explicit method is introduced for the solution of detailed chemical kinetics with stiff source terms based on the standard fourth-order Runge-Kutta scheme. Present method solves implicitly only the stiff reaction rate equations, whereas the others explicitly. The stiff equations are selected based on the survey of the chemical Jaconian matrix and its Eigenvalues. As an application of the present method constant pressure combustion was analyzed by a detailed mechanism of hydrogen-air combustion with NOx chemistry. The sensitivity analysis reveals that only the 4 species in NOx chemistry has strong stiffness and should be solved implicitly among the 13 species. The implicit solution of the 4 species successfully predicts the entire process with same accuracy and efficiency at half the price.

• Journal of the Korean Chemical Society
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• v.53 no.6
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• pp.635-639
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• 2009

Experimental work was carried out to study the combustion kinetics of the Indian coal-char in the varying mixture of carbon dioxide-oxygen ($CO_2-O_2$). The coal sample was pulverized and sieved to less than 58 microns and charred using volatile furnace by passing the nitrogen gas. The experiments were carried out using the Thermo Gravimetric Analyzer (TGA-50) at CPRI, Bangalore, different proportions of ($CO_2-O_2$) gas was allowed in to the TGA-50 (80-20, 60-40, 40-60, 20-80) mole basis were used to study the combustion kinetics of coal Isothermally, kinetic parameters like Activation energy (E) and the pre-exponential factors (A) are calculated using the unification approach and modified Arrhenius equation.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2007.04a
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• pp.143-147
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• 2007

Kerosene and diesel are compounded fuels with various types of hydrocarbon elements and difficult to model the chemical kinetics. This study focuses on the prediction of the non-equilibrium reaction of fuel-rich combustion with detailed kinetics developed by Dagaut using PSR(perfectly stirred reactor) assumption. In Dagaut's surrogate model for kerosene and diesel, chemical kinetics consists of 2352 reaction steps with 298 chemical species. Also, Frenklach's soot model was implemented along with detailed kinetics to calculate the gas properties of fuel rich combustion efflux.

• Transactions of the Korean Society of Automotive Engineers
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• v.11 no.6
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• pp.51-58
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• 2003

A cycle simulation method is developed by coupling a commercial code, Ricardo's WAVE, with the SENKIN code from CHEMKIN packages to predict combustion characteristics of an HCCI engine. By solving detailed chemical kinetics the SENKIN code calculates the combustion products in the combustion chamber during the valve closing period, i.e. from IVC to EVO. Except the combustion chamber during the valve closing period the WAVE code solves thermodynamic status in the whole engine system. The cycle simulation of the complete engine system is made possible by exchanging the numerical solutions between the codes on the coupling positions of the intake port at IVC and of the exhaust port at EVO. This method is validated against the available experimental data from recent literatures. Auto ignition timing and cylinder pressure are well predicted for various engine operating conditions including a very high ECR rate although it shows a trend of sharp increase in cylinder pressure immediate after auto ignition. This trend is overpredicted especially for EGR cases, which may be due to the assumption of single-zone combustion model and the limit of the chemical kinetic model for the prediction of turbulent air-fuel mixing phenomena. A further work would be needed for the implementation of a multi-zone combustion model and the effect of turbulent mixing into the method.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.34 no.7
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• pp.89-96
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• 2006

The combustion temperature in gas generator should be kept below around 1,000K to avoid any possible thermal damages to turbine blade by adopting either fuel rich or oxidizer rich combustion. Thus, non-equilibrium chemical reaction dominates in the gas generator. Meanwhile, Kerosene is a compounded fuel mixed with various types of hydrocarbon elements and difficult to model the chemical kinetics. This study focus to model the non-equilibrium chemical reaction of kerosene/LOX with detailed kinetics developed by Dagaut using PSR(Perfectly stirred reactor) assumption. Also, droplet evaporation time is taken into account by calculating for the residence time of droplet and by decoupling reaction temperature from the reactor temperature. In Dagaut’s surrogate model for kerosene, chemical kinetics of kerosene consists of 1592 reaction steps with 207 chemical species. The comparison of calculation results with experimental data could provide very reliable and accurate numbers in the prediction of combustion gas temperature, species fraction and other gas properties.

• Advances in Energy Research
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• v.4 no.3
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• pp.213-221
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• 2016

The main purpose of this work is to test the validation of use of a four step reaction mechanism to simulate the laminar speed of hydrogen enriched methane flame. The laminar velocities of hydrogen-methane-air mixtures are very important in designing and predicting the progress of combustion and performance of combustion systems where hydrogen is used as fuel. In this work, laminar flame velocities of different composition of hydrogen-methane-air mixtures (from 0% to 40% hydrogen) have been calculated for variable equivalence ratios (from 0.5 to 1.5) using the flame propagation module (FSC) of the chemical kinetics software Chemkin 4.02. Our results were tested against an extended database of laminar flame speed measurements from the literature and good agreements were obtained especially for fuel lean and stoichiometric mixtures for the whole range of hydrogen blends. However, in the case of fuel rich mixtures, a slight overprediction (about 10%) is observed. Note that this overprediction decreases significantly with increasing hydrogen content. This research demonstrates that reduced chemical kinetics mechanisms can well reproduce the laminar burning velocity of methane-hydrogen-air mixtures at lean and stoichiometric mixture flame for hydrogen content in the fuel up to 40%. The use of such reduced mechanisms in complex combustion device can reduce the available computational resources and cost because the number of species is reduced.