• Transactions of the Korean Society of Mechanical Engineers B
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• v.35 no.1
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• pp.75-82
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• 2011

The numerical analysis of the reduction of reaction mechanism for the ignition of dimethyl ether (DME) was performed. On the basis of a detailed reaction mechanism involving 79 species and 351 reactions, the peak molar concentration and sensitivity analysis were conducted in a homogeneous reactor model. The reduced reaction mechanism involving 44 species and 166 reactions at the threshold value $7.5{\times}10^{-5}$ of the molar peak concentration was established by comparing the ignition delays the reduced mechanism with those the detailed mechanism. The predicted results of the reduced mechanism applied to the single-zone homogeneous charge compression ignition (HCCI) engine model were in agreement with those of the detailed mechanism. Therefore, this reduced mechanism can be used to accurately simulate the ignition and combustion process of compression ignition engine using DME fuel.

• 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.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2011.11a
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• pp.92-95
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• 2011

A multi-step quasi-global mechanism is developed for the kerosene/oxygen combustion analysis including dissociation products. Reaction constants of the global reaction are determined to have agreement with experimental data. The mechanism is used for the numerical analysis of the combustion flow field of the kerosene/oxygen shear coaxial injector. The results from high-resolution numerical analysis confirmed qualitatively that the recess enhance the fuel/air mixing and combustion efficiency by the increased flow instabilities.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.28 no.2
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• pp.207-214
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• 2004

The burning velocities of conventional and oxygen-enriched methane flame in various equivalence ratio were determined by experiments. The validity of existing reaction mechanisms was examined in oxygen-enriched flame on the basis of the experiment results. Modified reaction mechanism is suggested, which was able to predict burning velocity of oxygen enriched flame as well as methane-air flame. Complementary study on reaction mechanisms shows the following results : Present experiment data were found to be more reliable in comparison with existing ones in a oxygen-enrichment condition. It was found that some modification in existing reaction mechanisms is necessary, since discrepancy between measurements and predictions is increasing with oxygen enrichment ratio. The sensitivity analysis was performed to discriminate the dominantly affecting reactions on the burning velocity in various oxygen enrichment and equivalence ratio. A modified GRI 3.0 reaction mechanism based on our experiment results was suggested, in which reaction rate coefficients of (R38) H+O$_2$<=>O+OH in GRI 3.0 reaction mechanisms were corrected based on sensitivity analysis results. This mechanism showed a good agreement in predicting the burning velocity and number density of NO in oxygen-enriched flame and would provide proper reaction information of oxygen-enriched flame at this stage.

• Proceedings of the Korea Institute of Fire Science and Engineering Conference
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• 2012.04a
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• pp.34-37
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• 2012

환기부족 구획화재에서 CO의 생성은 온도 및 조성에 큰 영향을 받으며, 구획 내의 체류시간 및 이동경로에 따라 복잡한 현상을 경험하게 된다. 그 결과 구획 내부의 CO 생성특성을 실험을 통해 상세하게 규명하는 것은 많은 한계가 있다. 이러한 배경 하에 본 연구에서는 환기부족 구획화재의 조건에서 총괄당량비에 따른 CO의 생성특성에 관한 수치해석 연구를 수행하였다. PSR(완전혼합반응기) code와 헵탄연료의 상세화학반응기구가 사용되었다. 주요 변수로서 체류시간, 온도, 반응물과 생성물의 혼합정도 그리고 열손실 등이 CO의 생성에 미치는 독립적 영향을 검토하였다. 추가로 주요반응에 의한 CO의 몰 생성률 및 소모율과 CO의 반응경로 분석을 통해 환기부족 구획화재의 조건에서 구체적인 CO 생성특성에 관한 이해가 시도되었다.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.27 no.2
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• pp.243-250
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• 2003

The extinction behavior and the unsteady response of augmented reduced mechanism(ARM) have been investigated by adopting an OPPDIF code and a numerical solver for the flamelet equations. By comparing the performance of the ARM based on Miller and Bowman's mechanism(MB-ARM) with that of the ARM based on GRI-Mech 3.0(GRI-3.0-ARM), it is identified that the MB-ARM is more suitable for the unsteady calculation because it is relatively less stiff than GRI-3.0-ARM during an ignition process. The steady results using the MB-ARM, which is modified to predict reasonably the extinction point of experiment, are in excellent agreement with those from full mechanism. Under the sinusoidal transient disturbances of scalar dissipation rate, the unsteady responses of the flame temperature and species concentrations using a modified MB-ARM show in very close agreement with those from full mechanism. It is presumed that above modified MB-ARM is very suitable for the unsteady simulation of turbulent flames because it gives not only a low computational cost but also a good prediction performance for flame structure, extinction point and unsteady response.

• Polymer Science and Technology
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• v.9 no.1
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• pp.17-23
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• 1998

지금까지 다양한 종류의 촉매 시스템에 의한 폴리올레핀 제조법에 관하여 알아보았다. 특히, 기존의 불균일계 착체 전이 금속 촉매 시스템 및 균일계 촉매 시스템에 의한 폴리올레핀 합성법과 비교하여 활성도 및 입체 규칙성 측면에서 최근 세계적인 '핫 잇슈'가 되고 있는 메탈로센 촉매 시스템을 이용한 폴리올레핀 제조법에 대하여 검토하였다. 이들에 대한 상세한 반응기구 및 반응 속도론(kinetics)에 대한 사항은 생략하였다. 이들에 대한 상세한 설명들은 여러 문헌에 잘 소개되어 있으며, 메탈로센 촉매 제조를 위한 다양한 리간드 합성법도 문헌에 잘 소개되어 있다. 이미 설명한 폴리올레핀 신합성법에 사용되는 메탈로센 촉매 및 비메탈로센계 촉매 이외에도 최근 크롬계 촉매 역시 올레핀 중합에 긴요하게 사용될 수 있을 것으로 판단된다. 이러한 관점에서, 현재 국내에서 폴리올레핀 공급과잉 현상은 새로운 기술에 의한 각종 그레이드(grade)의 특화만이 문제점 해결의 지름길이 될 것이라 판단된다.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.25 no.10
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• pp.1303-1310
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• 2001

In order to be applicable to the combustion modelling of stratified charged combustion like that of - lean burn and GDI engine, the correlations of laminar burring velocities fur several hydrocarbon fuels and methanol are needed over a wide range of equivalence ratio, pressure and temperature. In this study, these correlations are modeled in the 1311owing form based on the experimental and Muller\`s modeling results for several fuels, where $\alpha$, ξ, and ξ are functions of pressure and temperature, $S_{L}$ =$\alpha$ exp[-ξ($\Phi$-$\Phi$$_{m}$)$^{2}$ -exp {-ζ($\Phi$-$\Phi$$_{m}$)}-ζ($\Phi$-$\Phi$$_{m}$)]. By using the results calculated by PREMIX code with Sloane\`s detailed chemical reaction mechanism for propane, it is verified that the coefficients of the abode modeling can be determined by considering laminar burning velocity data only in a range of equivalence ratio less than $\Phi$$_{m}$. Therefore, Muller\`s modeling results can be adopted leer modeling of the pressure and temperature dependency. Compared with the results of the existing Keck'and Gulder's models, those of the present one showed the good agreement of the recent experimental data, especially in the range of lean and rich sides.s.des.s.

• 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.