• 제목/요약/키워드: Detailed Reaction Mechanism

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와동과 상호작용하는 대향류 비예혼합화염의 비정상 응답특성 (Unsteady Response of Counterflow Nonpremixed Flames Interacting with a Vortex)

  • 오창보;박정;이창언
    • 한국연소학회지
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    • 제9권2호
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    • pp.10-17
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    • 2004
  • A two-dimensional direct numerical simulation is performed to investigate the flame structure of $CH_4/N_2-Air$ counterflow nonpremixed flame interacting with a single vortex. The detailed transport properties and a modified 16-step augmented reduced mechanism based on Miller and Bowman#s detailed reaction mechanism are adopted in this calculation. To quantify the strain on flame induced by a vortex, a scalar dissipation rate (SDR) is introduced. The results show that fuel-side and air-side vortex cause an unsteady extinction. In this case, the flame interacting with a vortex is extinguished at much larger SDR than steady flame. It is also found that air-side vortex extinguishes a flame more rapidly than fuel-side vortex. The unsteady effect induced by flame-vortex interaction does not lead to a transient OH overshoot of the maximum steady concentration observed in experiment, while $HO_2$ radical increases more than the maximum steady concentration with increasing SDR. In addition, it is seen that NO and $NO_2$ are not sensitive to the unsteady variation of SDR.

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1,2 Dichloroethane의 열분해에 대한 수치해석 (Numerical Simulations of the Pyrolysis of 1,2 Dichloroethane)

  • 이기용
    • 대한기계학회:학술대회논문집
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    • 대한기계학회 2001년도 춘계학술대회논문집D
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    • pp.697-702
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    • 2001
  • Numerical simulations of 1,2 dichloroethane(EDC) pyrolysis are conducted to understand the process on the production of the vinyl chloride monomer(VCM) and by-products. A chemical kinetic mechanism is developed, the adopted scheme involving 44 gas-phase species and 260 elementary forward and backward reactions. Detailed sensitivity analyses and the rates of production analysis are performed on each of the reactions and the various species, respectively. The concentrations of EDC, VCM, and HCI predicted by this mechanism are in good agreement with those deduced from experiments of commercial and laboratory scale. The mechanism is found to accurately predict the VCM yield and the production of by-products by varying the ranges of pyrolysis temperature, residence time, and pressure which impact on the pyrolysis of 1,2 dichloroethane. The influence of reactions related to H atom on the relative sensitivity of EDC becomes important as the residence time increases. The pyrolysis of EDC mainly occurs through $C_{2}H_{4}Cl_{2}+Cl=CH_{2}ClCHCl$.

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반응 메커니즘 기반의 수소 첨가 바이오가스 HCCI 엔진 성능 및 배출가스에 대한 수치 해석적 연구 (Numerical analysis on performances and emission characteristics of HCCI engine fueled with hydrogen added biogas)

  • 박정수
    • 한국산학기술학회논문지
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    • 제19권12호
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    • pp.41-46
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    • 2018
  • 본 연구에서는 바이오가스 기반 예혼합 압축착화(Homogeneous charged compression ignition, HCCI) 엔진에 수소를 첨가하였을 때, 연소실 내부 압력, 온도 배출가스에 미치는 영향에 대해 살펴보았다. 자세히는 수소 첨가량과 과다공기량(${\lambda}$) 변화에 따른 연소실 압력 온도, 그리고 생성물로서의 NO, $CO_2$ 배출 특성을 화학 반응 해석 프로그램을 사용하여 고찰하였다. 대상의 엔진은 2300cc 바이오가스 엔진 발전기로서 압축비 13:1, 발전량 15kW 급이다. 과급압은 1.2bar 고정 조건이며, rpm은 1800rpm의 정속 조건이다. 엔진 연소 방식은 예혼합 압축 착화를 모사하였다. 본 연구를 진행하기에 앞서 바이오가스의 주요 조성인 메탄의 연소 및 산화 메커니즘에 대한 선행 연구에 대한 고찰을 통하여 연소반응 메커니즘을 규명하기 위한 반응 메커니즘 연구 기술의 경향을 살펴보고, 본 연구에 적용 가능한 반응 메커니즘을 선정하여 해석을 진행하였다. 수소를 첨가할 때 NO는 증가하는 반면, $CO_2$등의 배출량은 감소하였고 실린더 내부 압력이 상승하며, 상승 구간이 진각 됨을 알 수 있었다. 또한, 희박영역에서 수소 첨가가 가연 한계를 증가시켰다.

근력 지원용 외골격 로봇을 위한 수동형 무릎 관절 메커니즘 개발 (Development of a Passive Knee Mechanism for Lower Extremity Exoskeleton Robot)

  • 김호준;임동환;한창수
    • 로봇학회논문지
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    • 제12권2호
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    • pp.107-115
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    • 2017
  • In this paper, four-bar linkage mechanism for the knee joint is developed which is used in prosthetics. But unlike the prosthetics, the feature of this mechanism is that the instantaneous center of rotation of the four-bar linkages can be moved behind the ground reaction force vector so that it can be passively supported without any external power. In addition, this mechanism is developed similar to the structure of the human knee joint for eliminating the sense of heterogeneity of the wearer. In order to design the mechanism with these two objectives, optimization design process is done using the PIAnO tool and detailed design is carried out through optimized variable values. The developed mechanism is attached to the robot which can assist the hip and ankle joints. In order to verify the operation of the developed knee mechanism, an insole type sensor was attached to the shoes to compare data values before and after wearing the robot. Result data showed that wearer wearing the exoskeleton robot with the knee mechanism was the same value regardless of whether the heavy tool is loaded or not.

Electronic structure and catalytic reactivity of model oxide catalysts

  • 김유권
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2009년도 제38회 동계학술대회 초록집
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    • pp.35-35
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    • 2010
  • Understanding the mechanistic details of heterogeneous catalytic reactions will provide a way to tune the selectivity between various competing reaction channels. In this regard, catalytic decomposition of alcohols over the rutile $TiO_2$(110) surface as a model oxide catalyst has been studied to understand the reaction mechanism employing the temperature-programmed desorption (TPD) technique. The $TiO_2$(110) model catalyst is found to be active toward alcohol dehydration. We find that the active sites are bridge-bonded oxygen vacancies where RO-H heterolytically dissociates and binds to the vacancy to produce alkoxy (RO-) and hydroxyl (HO-). Two protons adsorbed onto the bridge-bonded oxygen atoms (-OH) readily react with each other to form a water molecule at ~500 K and desorb from the surface. The alkoxy (RO-) undergoes decomposition at higher temperatures into the corresponding alkene. Here, the overall desorption kinetics is limited by a first-order decomposition of intermediate alkoxy (RO-) species bound to the vacancy. We show that detailed analysis on the yield and the desorption temperatures as a function of the alkyl substituents provides valuable insights into the reaction mechanism. After the catalytic role of the oxygen vacancies has been established, we employed x-ray photoelectron spectroscopy to further study the surface electronic structure related to the catalytically active defective sites. The defect-related state in valence band has been related to the chemically reduced $Ti^{3+}$ defects near the surface region and are found to be closely related to the catalytic activity of the $TiO_2$(110) surface.

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수치계산을 이용한 LFG 혼합연료의 연소속도 상관식에 관한 연구 (A Study on the Burning Velocity Correlation of LFG Mixed Fuel Using Numerical Analysis)

  • 이창언;오창보;정익산
    • 대한기계학회논문집B
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    • 제24권11호
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    • pp.1513-1522
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    • 2000
  • In this study, the burning velocities of LFG and LFG mixed fuels have been numerically determined. C3 reaction mechanism involving 92 species and 621 reactions was adopted in the calculation. The computed burning velocities using C3 mechanism show good agreements with experimental data. Based on numerical results, the maximum burning velocities of LFG and LFG mixed fuels were correlated as a function of CH$_4$ and LFG component percentage at stoichiometric conditions. In addition, the correlations of burning velocities of LFG and LFG mixed fuels were obtained over a wide range of the equivalence ratio. The numerical results are well agreed with the burning velocity correlations. The burning velocity correlations for LFG and LFG mixed fuels suggested in this study can be applied to the practical utilization of LFG.

Acetohydroxyacid Synthase

  • Duggleby, Ronald G.;Pang, Siew Siew
    • BMB Reports
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    • 제33권1호
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    • pp.1-36
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    • 2000
  • Acetohydroxyacid synthase (EC 4.1.3.18) catalyses the first reaction in the pathway for synthesis of the branched-chain amino acids. The enzyme is inhibited by several commercial herbicides and has been subjected to detailed study over the last 20 to 30 years. Here we review the progress that has been made in understanding its structure, regulation, mechanism, and inhibition.

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고체 추진제 로켓엔진의 정상 및 비정상 연소특성 해석 (Analysis for Steady-State and Transient Combustion Characteristic of Solid Propellant Rocket Engine)

  • 김후중;김용모;윤명원
    • 한국추진공학회:학술대회논문집
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    • 한국추진공학회 2003년도 제20회 춘계학술대회 논문집
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    • pp.233-239
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    • 2003
  • 본 연구는 고체 추진제 로켓 엔진의 연소과정을 수치적으로 해석하였다. 고체 추진제로는 double-base propellant를 이용하였으며 고체상에서는 2개의 포괄적인 반응식을 기체상에서는 5개의 포괄적인 반응식을 이용하였고 난류와 화학반응의 상호작용 PaSR(Partially Stirred Reactor)모델을 사용하였다. 고체 연료 벽면에서의 분출 효과로 야기되는 대류열전달의 불확실성을 줄이기 위하여 낮은 레이놀즈 수 k-$\varepsilon$난류모델을 적용하였다. 계산된 수치결과를 토대로 고체 추진제 로켓 엔진의 난류연소 과정 및 온도장과 압력장의 비정상 특성에 대하여 상세히 기술하였다.

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와동과 상호작용하는 대향류 비예혼합화염의 비정상 응답특성 (Unsteady Response of Counterflow Nonpremixed Flames Interacting with a Votex)

  • 오창보;박정;이창언
    • 한국연소학회:학술대회논문집
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    • 한국연소학회 2002년도 제24회 KOSCO SYMPOSIUM 논문집
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    • pp.52-60
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    • 2002
  • A two-dimensional direct numerical simulation is performed to investigate the flame structure of $CH_4/N_2-Air$ counterflow nonpremixed flame interacting with a single vortex. The detailed transport properties and a modified 16-step augmented reduced mechanism based on Miller and Bowman's detailed reaction mechanism are adopted in this calculation. To quantify the strain on flame induced by a vortex, a scalar dissipation rate (SDR) is introduced. Results show that the fuel and air-side vortex cause an unsteady extinction. In this case, the flame interacting with a vortex is extinguished at much larger SDR than steady flame. It is also found that air-side vortex extinguishes a flame more rapidly than fuel-side vortex. The unsteady effect induced by flame-vortex interaction does not lead to a transient OH overshoot of the maximum steady concentration observed in experiment, while $HO_2$ radical increases more than the maximum steady concentration with increasing SDR. In addition, it is seen that NO and $NO_2$ are not sensitive to the unsteady variation of SDR.

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Dynamics of OH Production in the Reaction of O(1D2) with Cyclopropane

  • Jang, Sungwoo;Jin, Sung Il;Kim, Hong Lae;Kim, Hyung Min;Park, Chan Ryang
    • Bulletin of the Korean Chemical Society
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    • 제35권6호
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    • pp.1706-1712
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    • 2014
  • The OH($X^2{\Pi}$, ${\upsilon}^{\prime\prime}=0,1$) internal state distribution following the reaction of electronically excited oxygen atom ($O(^1D_2)$) with cyclo-$C_3H_6$ has been measured using laser-induced fluorescence, and compared with that following the reaction of $O(^1D_2)$ with $C_3H_8$. The overall characteristics of the OH internal energy distributions for both reactions were qualitatively similar. The population propensity of the ${\Pi}(A^{\prime})$ ${\Lambda}$-doublet sub-level suggested that both reactions proceeded via an insertion/elimination mechanism. Bimodal rotational population distributions supported the existence of two parallel mechanisms for OH production, i.e., statistical insertion and nonstatistical insertion. However, detailed analysis revealed that, despite the higher exoergicity of the reaction, the rotational distribution of the OH following the reaction of $O(^1D_2)$ with $C_3H_8$ was significantly cooler than that with cyclo-$C_3H_6$, especially in the vibrational ground state. This observation was interpreted as the effect of the flexibility of the insertion complex and faster intramolecular vibrational relaxation (IVR).