• Title/Summary/Keyword: CHEMKIN

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Numerical modelling for multicomponent diffusion in laminar hydrogen jet flame by using opensource OpenFOAM (오픈 소스 OpenFOAM을 이용한 층류 수소 제트 화염장 내의 다종 확산 수치해석 모델 개발)

  • Kim, Gunhong
    • 한국연소학회:학술대회논문집
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    • 2012.11a
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    • pp.335-338
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    • 2012
  • The present study focuses mainly on modeling the ordinary diffusion flux of species. According to CHEMKIN, both the mixture-averaged approach, Fick's formula, and the full multicomponent approach are implemented in the framework of opensource OpenFOAM. Also the Stefan-Maxwell approach is coded and validated together against measurements of laminar hydrogen jet flame. In the case of viscosity and conductivity of mixture, the mixture-averaged approach is applied and thermal diffusion is not considered in this work. Results show that there are no distinct deviations in three different approaches of diffusion of species in the present hydrogen flame condition.

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A Study on Heat and Mass Balance in a Coal Gasifier (석탄 가스화기 열 및 물질정산에 관한 연구)

  • Kim, Bong-Keun;Yoo, Jeong-Seok;Kim, You-Seok
    • 한국신재생에너지학회:학술대회논문집
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    • 2007.11a
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    • pp.424-428
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    • 2007
  • In the current most tool using heat and mass balance in a coal gasifier is dependent on commercial code such as STANJAN, CHEMKIN. However, in order to keep the self-reliance technology, it is necessary to develop the original design tool available for comprehension and analysis on the spot. So in this study, its own heat and mass balance program is developed on the assumption that the process in a coal gasifier is adiabatic and quasi-equilibrium. The mass balance is calculated by using the chemical equilibrium principle. Also the heat and mass balance according to main operating factors such as temperature, pressure and O2/Coal ratio, was carried in this tool. This heat and mass balance was verified on the basis of the results simulated in STANJAN, commercial codes using similar logic.

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The Investigation of Diesel Spray Combustion in DME HCCI Combustion (DME 예혼합 자기착화 연소중의 디젤분무연소에 관한 연구)

  • Lim, Ock-Taeck
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.32 no.4
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    • pp.241-248
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    • 2008
  • The purpose of the research is to investigate of diesel spray combustion for simultaneously reduction way of NOx and PM. The diesel injection were done into intermediates that are generated by very lean DME HCCI combustion using a RCM. The concentration of intermediate could not be directly measured, so we estimated it by CHEMKIN calculation. Two dimensional spontaneous luminescence images which are created by chemical species reaction at low temperature reaction (LTR) and high temperature reaction (HTR) are captured by using a framing streak camera. Also, combustion events were observed by high-speed direct photography. The ignition and combustion events were analyzed by pressure profiles and the KL values and flame temperatures were analyzed by the two-color method.

Numerical Simulation of Buoyant Diffusion Flame (부력을 받는 확산화염에 대한 수치 시뮬레이션)

  • Oh, Chang-Bo;Lee, Eui-Ju
    • Proceedings of the Korea Institute of Fire Science and Engineering Conference
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    • 2008.04a
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    • pp.234-237
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    • 2008
  • A direct numerical simulation (DNS) code suitable for the prediction of buoyant jet diffusion flames was developed in this study. The thermodynamic and transport properties were evaluated using CHEMKIN package to enhance the prediction performance of the developed DNS code. A two dimensional simulations were performed for the jet diffusion flames in normal and zero-gravity conditions where the Froude numbers are 5 and infinity, respectively. The simulated buoyant jet diffusion flame in normal gravity showed that the unsteady and dynamic motion although the reynolds number is low (400). It was identified that the flame in normal gravity flickered periodically. The periodic motion of the flame disappeared in zero-gravity condition. The dynamic motion of the buoyant jet diffusion flame could be well understood by comparing the flame structures obtained by the simulations of normal and zero-gravity conditions.

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The Development of Hazardous Waste Compact Dump incinerator for Low Emissions (저공해 compact 유해폐기물 dump 소각기 개발)

  • 전영남;채종성;정오진
    • Journal of Korean Society for Atmospheric Environment
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    • v.16 no.6
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    • pp.653-663
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    • 2000
  • A lot of hazardous wastes are discharged as by-products of working process by industrial development. Hazardous wastes is physical characteristics of difficult destruction at hight temperature. Numerical simulation and combustion experiment performed of dump incinerator for hazardous waste incineration. For the numerical simulation, the SIMPLEST algorithm was used to ensure rapid converge A K-$\varepsilon$ model was incorporate for the enclosure of turbulence flow. Combustion model was used by ESCRS (extended simple chemically reacting system) model available of CHEMKIN thermodynamic data for the source term of species conservation equation or energy equation. Radiation model is used by six flux model. A parametric screening studies was carried out through numerical simulation and experiment. Residence time and concentration in the incinerator was strongly dependent on the parameters of mixture velocity, mixture equilibrium ratio, surrogate velocity and surrogate equilibrium ratio.

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Effects of Spray Breakup Model Variables on Spray and Combustion Characteristics (분열모델 상수가 분무 및 연소특성에 미치는 영향)

  • Lee, Seungpil;Park, Junkyu;Park, Sungwook
    • Journal of ILASS-Korea
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    • v.22 no.1
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    • pp.29-35
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    • 2017
  • This paper describes the effects of spray breakup model constants on spray and combustion characteristics in single cylinder compression engine. KIVA-3V code coupled with a CHEMKIN chemistry solver was used for numerical analysis. In this study, spray simulations and combustion simulations are studied simultaneously. Spray simulation was conducted in constant volume to reduce the effects of air-flow as swirl or tumble. The model validation was conducted and there are little difference between experiments and simulation, this differences were reasonable. In spray simulation, the effects of model constants on spray tip penetration, spray patter and SMD were studied. Furthermore, the analysis of effects of breakup variables on combustion and emissions characteristics was conducted. The results show the KH-RT breakup model constants affects spray and combustion characteristics strongly. Increasing KH model variable (B1) and RT model constants ($C_{\tau}$, $C_{RT}$) induced slower breakup time.

An Experimental on Cellular Instability and Laminar Burning Velocity of SNG Fuel (SNG 연료의 셀 불안정성 및 층류연소속도에 관한 실험적 연구)

  • Kim, Dongchan;Jo, Junik;Lee, Keeman
    • 한국연소학회:학술대회논문집
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    • 2015.12a
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    • pp.109-112
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    • 2015
  • This article describes a cellular instability and laminar burning velocity of simulated synthetic natural gas(SNG) including 3% hydrogen. In this study, experimental apparatus is employed using cylindrical bomb combustor, and investigation is carried out with high speed camera and Schlieren system. The cellular instability is caused by the buoyancy, hydrodynamic instability. Unstretched burning velocity can be determined by extrapolated stretch rate of zero point from measured results. These results were also compared with numerical calculation by Chemkin package with GRI 3.0, USC-II, WANG, C3 Fuel mechanism. As an experimental conditions, equivalence ratios was adjusted from 0.8 to 1.3. From results of this work, the one was found that the cellular instability has occurred by effect of thermal expansion rate and flame thickness. As the other results, unstretched laminar burning velocity was best coincided with GRI 3.0 mechanism.

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The investigation on the Ignition Delay of n-heptane/n-butanol Blend Fuel using a Rapid Compression Machine at Low Temperature Combustion Regime (저온연소조건에서 급속압축기를 이용한 n-heptane/n-butanol 혼합연료의 착화지연에 관한 연구)

  • Song, Jaehyeok;Kang, Kijoong;Yang, Zheng;Lu, Xingcai;Choi, Gyungmin;Kim, Duckjool
    • 한국연소학회:학술대회논문집
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    • 2013.06a
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    • pp.25-28
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    • 2013
  • This study presents both experimental and numerical investigation of ignition characteristics of n-heptane and n-butanol mixture. The $O_2$ concentration was fixed to 9-10% to make high exhaust gas recirculation(EGR) rate condition. Experiments were performed using a rapid compression machine. In addition, a numerical study of the ignition delay time was performed using CHEMKIN codes to validate experimental results and predict chemical species after combustion process. The results showed that the ignition delay time increased with increasing n-butanol ratio and the reactivity decreased by low $O_2$ concentration.

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Numerical Investigation of the Flamelet Structure of Buoyant Jet Diffusion Flames (부력 영향을 받는 제트 확산화염의 화염편 구조에 관한 수치계산 연구)

  • Oh, Chang-Bo;Lee, Eui-Ju
    • Journal of the Korean Society of Safety
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    • v.24 no.1
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    • pp.14-20
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    • 2009
  • Direct numerical simulations(DNS) were performed for the prediction of transient buoyant jet diffusion flames where the Froude numbers(Fr) are 5 and 160, respectively. The thermodynamic and transport properties were evaluated using CHEMKIN package to enhance the prediction performance of the DNS code. The simulated buoyant jet diffusion flame of Fr=5 and 160 showed the transient, dynamic motion well. It was identified that the buoyant jet flames were flickered periodically, and the simulated flickering frequency of the jet diffusion flame of Fr=5 was 12.5Hz, which was in good agreement with the experimental results. The flamelet structures of the buoyant jet diffusion flames could be well understood by comparing the scalar dissipation rates(SDR) and the heat release rates(HRR) of the flames. It was found that the SDR was strongly coupled with the HRR in the buoyant jet diffusion flames.

A Study of Nitrous Oxide Thermal Decomposition and Reaction Rate in High Temperature Inert Gas (고온 불활성 기체 분위기에서 아산화질소 열분해 및 반응속도에 관한 연구)

  • Lee, Han Min;Yun, Jae Geun;Hong, Jung Goo
    • Journal of ILASS-Korea
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    • v.25 no.3
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    • pp.132-138
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    • 2020
  • N2O is hazardous atmosphere pollution matter which can damage the ozone layer and cause green house effect. There are many other nitrogen oxide emission control but N2O has no its particular method. Preventing further environmental pollution and global warming, it is essential to control N2O emission from industrial machines. In this study, the thermal decomposition experiment of N2O gas mixture is conducted by using cylindrical reactor to figure out N2O reduction and NO formation. And CHEMKIN calculation is conducted to figure out reaction rate and mechanism. Residence time of the N2O gas in the reactor is set as experimental variable to imitate real SNCR system. As a result, most of the nitrogen components are converted into N2. Reaction rate of the N2O gas decreases with N2O emitted concentration. At 800℃ and 900℃, N2O reduction variance and NO concentration are increased with residence time and temperature. However, at 1000℃, N2O reduction variance and NO concentration are deceased in 40s due to forward reaction rate diminished and reverse reaction rate appeared.