• 한국연소학회:학술대회논문집
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• 2003.05a
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• pp.57-62
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• 2003

A general procedure of obtaining reliable one-step kinetics model for hydrocarbon mixture from the fully detailed chemistry is described iin this study. One-step theoretical formulation of the induction parameter model IPM uses a theoretical reconstruction of the induction time database obtained from a detailed kinetics library. Non-dimensional induction time calculations is compared with that of detailed kinetics. The IPM was latter implemented to fluid dynamics code and applied for the numerical simulation of detonation wave propagation. The numerical results including the numerical smoked-foil record show the all the details of the detonation wave propagation characteristics at the cost around 1/100 of the detailed kinetics calculation.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.37 no.4
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• pp.383-391
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• 2009

The detonation wave characteristics of JP-7 and oxygen mixture is investigated by one-step induction parameter model (IPM) obtained from a detailed chemistry mechanism. A general procedure of obtaining reliable one-step kinetics IPM for hydrocarbon mixture from the fully detailed chemistry is described in this study. The IPM is obtained by the reconstruction of the induction time database obtained from a detailed kinetics library. The IPM was confirmed by the comparison of the induction time calculations with that from detailed kinetics. The IPM is later implemented to a fluid dynamics code and applied for the numerical simulation of detonation wave propagation. The numerical results show the detailed characteristics of the detonation wave propagation in JP-7 and oxygen mixture at affordable computing time, which is not be possible by the direct application of the detailed chemical kinetics mechanism of hydrocarbon fuel combustion.

• 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 Society of Combustion
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• v.16 no.4
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• pp.38-45
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• 2011

Coal-derived syngas has been utilized by main fuel at IGCC power plant. Research efforts for investigating the characteristics of premixed and nonpremixed flames at gas-turbine condition have been conducted. The present study has been mainly motivated to evaluate the capability of the detailed chemical kinetics to predict the syngas laminar flame speed. Special emphasis is given to the effects of pressure, temperature, syngas composition, and dilution level on the characteristics of premixed and nonpremixed flames. The predicative capability of a number of detailed mechanism for laminar flame speed is compared to experimental data. From these results, detailed kinetics of Davis et al. and Li et al. have the best conformity with the experiments in the all the case of parametric studies.

• 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.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2006.11a
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• pp.150-153
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• 2006

Gas generator should be adopted either fuel rich or oxidizer rich combustion because of the temperature restriction to avoid any possible thermal damages to turbine blade. This study focuses to model the non-equilibrium chemical reaction of kerosene/LOx with detailed kinetics developed by Dagaut using Perfectly stirred reactor(PSR) assumption. To predict more reliable species fraction and other gas properties, Frenklach's soot model was added to Dagaut's detailed kinetics.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.21 no.9
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• pp.1126-1138
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• 1997

An axisymmetric laminar jet diffusion flame has been numerically modelled. The present study employs the refined physical submodels to account for the detailed chemical kinetics and the variable transport properties. It is found that preferential diffusion resulting from variable transport properties significantly influences the hydrogen diffusion flame structure in terms of the spatial distribution for temperature, species concentration, thermal and mass diffusivity, Lewis number, and NO concentration. The preferential diffusion effects on the diffusion flame in the high-pressure environment are also discussed in detail.

• 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.

• 한국신재생에너지학회:학술대회논문집
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• 2011.11a
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• pp.99.1-99.1
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• 2011

Reactant mixing has a critical role in ensuring reformate quality and an important design objective is to achieve sufficiently complete mixture of reactants. For that purpose it is required to understand the coupled transport-kinetics phenomena in the mixing region. Three-dimensional computational fluid dynamics model was developed and validated in previous works. The mixing characteristics in various alternatives of a prototype mixing chamber were compared, and then a reduced reaction kinetics was applied to two extreme designs for investigating the impact of gas-phase reactions. Both designs did not reach threshold ethylene mole fraction of 0.001, but surprisingly more ethylene was generated in the design having better mixing characteristics. The presentation will deliver the development process of coupled transport and kinetics model briefly and the detailed information about the mixing characteristics and gas-phase reactions in two mixer designs.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.31 no.12
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• pp.1009-1016
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• 2007

Numerical study on preferential diffusion effects in flame structure in $CH_4-H_2$ diffusion flames is conducted with detailed chemistry. Comparison of flame structures with mixture-averaged species diffusion and suppression of the diffusivities of $H_2$ and H was made. Discernible differences in flame structures are displayed with three species diffusion models. The behaviors of maximum flame temperatures with those species diffusion models are not explained by scalar dissipation rate but by the nature of chemical kinetics. It is seen that the modifcation of flame structure is mainly due to the preferential diffusion of H2 and thereby the nature of chemical kinetics. It is also found that the behaviors of major species with the three species diffusion models are addressed to the nature of chemical kinetics, and this is evident by examining importantly contributing reaction steps to the production and destruction of those chemical species.