• 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.

• Transactions of the Korean hydrogen and new energy society
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• v.34 no.6
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• pp.748-757
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• 2023

Numerical analysis was conducted to confirm the characteristics of extinction behavior in NH₃/CH₄ counterflow symmetrical flames. Numerical simulations were run on CHEMKIN-PRO, using the OPPDIF code, with Okafor's mechanisms, which had the lowest error rate compared to Colson's experimental data in the our previous part I study. The chemical interactions of merged flames were examined by analyzing the production rate of major chemical species and key radicals with the volume fractional percentage of ammonia and global strain rate. The interaction phenomenon of the flames could be identified by observing the main chemical reaction path of the merged flames at the stagnation plane.

• Journal of the Korean Society of Combustion
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• v.7 no.4
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• pp.36-44
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• 2002

Carbon molecules with closed-cage structures are called fullerenes $(C_{60},\;C_{70})$, whose applications include super-conductors, sensors, catalysts, optical and electronic device, polymer composites, and biological and medical materials. The synthesis of fullerenes has been recently studied with low-pressure benzene/argon/oxygen flames. The formation of fullerene is known as molecular weight growth processes of PAHs (polycyclic aromatic hydrocarbon). This study presents results of PAHs and fullerene measurements performed in a low-pressure benzene/argon/oxygen normal co-flow laminar diffusion flame. Through the central tube of the burner, benzene vapors carried by argon are injected. The benzene vapors are made in a temperature-controlled bubbler. The burner is located in a chamber, equipped with a sampling system for direct collection of condensable species from the flame, and exhausted to a vacuum pump. Samples of the condensable are analyzed by HPLC (High Performance Liquid Chromatography) to determine the yields of PAHs and fullerene. Also, we computed mole fraction of fullerene and PAHs in a nearly sooting low pressure premixed, one-dimensional benzene/argon/oxygen flame (equivalence ratio ${\Phi}=2.4$, pressure=5.33kPa). The object of computation was to investigate the formation mechanism of fullerenes and PAHs. The computations were performed with CHEMKIN/PREMIX. As a result of this study, fullerenes were synthesized in a low pressure (20torr) $C_6H_6/Ar/O_2$ flames and the highest concentration of fullerene was detected just above the visible surface of a flame.

• Transactions of the Korean hydrogen and new energy society
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• v.26 no.4
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• pp.347-356
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• 2015

A study has been conducted numerically to investigate the lifted flat syngas flame structure of impinging jet flame configuration with the global strain rates in 10% hydrogen content. In this study, the effects of strain rate were major parameters on chemistry kinetics and flame structure at stagnation point. The numerical results were calculated by SPIN application of the CHEMKIN package. The strain rates were adjusted with Reynolds numbers of premixed syngas-air mixture. Different flame shapes were observed with different strain rates. As strain rate has increased, the flame temperature and axial velocity have been decreased due to the flame heat loss increment, and the OH radical reaction zones become narrower but each mole fractions are still constant. Also, the reversion of $H_2O$ product near stagnation point has been found out when strain rate has increased. This phenomenon is attributed to the rapid production of oxidizing radical reaction such as the R12 ($H+O_2(+M)=HO_2(+M)$), which makes the R18 ($HO_2+OH=O_2+H_2O$) reaction increment.

• Transactions of the Korean hydrogen and new energy society
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• v.25 no.1
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• pp.47-58
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• 2014

The characteristics of flame shape, laminar burning velocity, emissions and heat flux of stagnation point in premixed impinging jet flame of syngas fuel with 10% hydrogen content were experimentally investigated. Also, the adiabatic temperature and burning velocity are calculated by Chemkin package with USC-II mechanism. The equivalence ratios(0.8~5.0) and dimensionless separation distance(2.0~5.0) with fixed Reynolds number(1800) are main parameters in this work. Different flame shapes and colors were observed for different impingement conditions. The experimental results of burning velocity by flame surface area have a consistent with previous works and numerical simulation of this work. The inner flame length could be predicted with the ratio of mixture velocity and burning velocity from a simple formulation by the laminar burning velocity definition. It has been observed that the heat fluxes at stagnation point are directly affected by the flame shape including the separation distance. The emission results in impinging flame of syngas fuel show that the characteristics of $NO_x$ emission traced well with adiabatic temperature trend and CO emission due to fuel rich condition increased continuously with respect to the equivalence ratio.

• Proceedings of the KSME Conference
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• 2008.11b
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• pp.2198-2203
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• 2008

Hydrogen which can be produced through reforming process of hydrocarbon fuel is supplied into anode side of fuel cell system. In the fuel cell, only 70% of hydrogen is consumed through electrochemical reaction and 30% hydrogen passed by as anode off gas. When electrical output of fuel cell is within range of 1.0 to 3.0kW, burner for the reformer uses only anode off gas. And it uses mixture gas of anode off gas and LNG within range of 3.5 to 5.0kW in electrical output. CHEMKIN 4.1 program's Premixed code was used for calculating the properties of each gas. Results show that burning velocity and adiabatic flame temperature are 34.4cm/s, 1681.7K at equivalence ratio 0.8 within range of 1.0kW to 3.0kW and for cases of 3.5kW, 5.0kW, of electrical output, burning velocity and adiabatic flame temperature represent 30.5, 29.8cm/s and 1722.8, 1750K respectively. CO shows the lowest emission index at equivalence ratio 0.8 and NOx reveals the highest emission index at equivalence ratio 1.

• Journal of the Korean Society of Combustion
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• v.19 no.1
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• pp.17-28
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• 2014

In this study, the laminar burning velocity of syngas fuel($H_2/CO$) and flame structure with various hydrogen contents were studied using both experimental measurements and detailed kinetic analysis. The laminar burning velocities were measured by the angle method of Bunsen flame configuration and the numerical calculations including chemical kinetic analysis were made using CHEMKIN Package with USC-Mech II. A wide range of syngas mixture compositions such as $H_2$ : CO = 10 : 90, 25 : 75, 50 : 50, 75:25 and equivalence ratios from lean condition of 0.5 to rich condition of 5.0 have been considered. The experimental results of burning velocity were in good agreement with previous other research data and numerical simulation. Also, it was shown that the experimental measurements of laminar burning velocity linearly increased with the increment of $H_2$ content although the burning velocity of hydrogen is faster than the carbon monoxide above 10 times. This phenomenon is attributed to the rapid production of hydrogen related radicals such as H radical at the early stage of combustion, which is confirmed the linear increase of radical concentrations on kinetic analysis. Particular concerns in this study are the characteristics of burning velocity and flame structure different from lean condition for rich condition. The decrease of OH radicals and double peaks are observed with $H_2$ content in rich condition once $H_2$ fraction exceeds over threshold.

• Journal of the Korean Society of Combustion
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• v.18 no.2
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• pp.32-41
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• 2013

This study presents both experimental and numerical investigation of ignition delay time of n-heptane and n-butanol binary fuel. The $O_2$ concentration in the mixture was set to 9-10% to make high exhaust gas recirculation( EGR) rate condition which leads low NOx and soot emission. Experiments were performed using a rapid compression machine(RCM) at compressed pressure 20bar, several compressed temperature and three equivalence ratios(0.4, 1.0, 1.5). In addition, a numerical study on the ignition delay time was performed using CHEMKIN codes to validate experimental results and predict chemical species in the combustion process. The results showed that the ignition delay time increased with increasing the n-butanol fraction due to a decrease of oxidation of n-heptane at the low temperature. Moreover, all of the binary fuel mixtures showed the combustion characteristics of n-heptane such as cool flame mode at low temperature and negative-temperature-coefficient(NTC) behavior. Due to the effect of high EGR rate condition, the operating region is reduced at lean condition and the ignition delay time sharply increased compared with no EGR condition.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.117-117
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• 2010

나노입자 제조 기술이 점차 발전하면서 금속산화물, 반도체용 및 태양전지용, 신소재 등 다양한 응용분야에 사용하고 있다. 따라서 이와 같은 나노입자 제조방법으로는 펄스 레이저 용사법(pulsed laser ablation), 플라즈마 아크 합성법(plasma arc synthesis), 열분해법(pyrolysis), plasma-enhanced chemical vapor deposition (PECVD)법 등과 같은 기상공정이 많이 사용되고 있다. 기상공정은 기존의 공정에 비해 고순도 입자의 대량 생산, 다성분 입자의 화학적 균질성 유지, 비교적 간단하고 깨끗한 공정 등의 장점을 가지고 있다. 기상공정에서 일반적인 입자 형성 메커니즘은 기체 상태의 화학 물질이 물리적 공정 혹은 화학 반응에 의해 과포화상태에 도달하게 되며, 이 때 동질 핵생성(homogeneous nucleation)이 일어나고 생성된 핵(nuclei)에 기체가 응축되고 충돌, 응집하면서 입자는 성장하게 된다. 열분해법은 실리콘 나노입자를 생산하는 기상공정 중 하나이다. 일반적으로 열분해 공정은 지속적으로 열이 가해지는 반응기 내에 반응기체인 $SiH_4$을 주입하고, 운반기체는 He, $H_2$, Ar, $N_2$ 등을 사용하였을 때, 높은 열로 인해 $SiH_4$가 분해되며, 이 때 가스-입자 전환 현상(gas to particle conversion)이 일어나 실리콘 입자가 형성된다. 그러나 입자 형성과정은 $SiH_4$ 농도, 유량, 작동 압력, 온도 등 매우 다양한 요소에 영향을 받는다. 고, 복잡한 화학반응 메커니즘에 의해 명확히 규명되지는 못하고 있다. 이에 본 연구에서는 복잡한 화학반응을 해석하는 상용코드 CHEMKIN 4.1.1을 이용하여 열분해 반응기 내에서의 실리콘 입자 형성, 성장, 응집, 전송 모델을 만들고 이를 수치해석하였다. 표면 반응, 응집, 전송에 의한 입자 성장 메커니즘을 포함하고 있는 aerosol dynamics model을 method of moment법으로 해를 구하였으며, 이를 실험 결과와 비교하여 모델링을 검증하였다. 또한 반응기의 온도, 압력, 가스 농도, 유량 등의 요소를 고려하여 실리콘 나노입자를 형성하는 최적의 조건을 연구하였다.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.38 no.6
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• pp.451-464
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• 2014

This study used numerical methods to investigates investigate the exhaust gas recirculation (EGR) effect under the condition of boost pressure condition on a homogeneous charge compression ignition (HCCI) combustion engine using numerical methods. The detailed chemical-kinetic mechanisms and thermodynamic parameters for n-heptane, iso-octane, and PRF50 from the Lawrence Livermore National Laboratory (LLNL) are were used for this study. The combustion phase affects the efficiency and power. To exclude these effects, this study decided to maintain a 50 burn point (CA50) at 5 CA after top dead center aTDC. The results showed that the EGR increased, but the low temperature heat release (LTHR), negative temperature coefficient (NTC), and high temperature heat release (HTHR) were weakened due by theto effect of the O2 reduction. The combined EGR and boost pressure enhanced the autoignition reactivity, Hhence, the LTHR, NTC, and HTHR were enhanced, and the heat-release rate was increased. also In addition, EGR decraeased the indicated mean effective pressure (IMEP), but the combined EGR and boost pressure increased the IMEP. As a results, combining the ed EGR and boost pressure was effective to at increase increasing the IMEP and maintaining the a low PRR.