• Title/Summary/Keyword: Detailed Reaction Mechanism

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Numerical analysis of the coupled heat and mass transfer phenomena in a metal hydride hydrogen storage reactor(I) - Model development of analyzation for hydrogen absorption reaction using the $LaNi_5$ bed (금속수소화물 수소저장 용기 내부의 열 및 물질전달 현상에 대한 수치적 연구(I) - $LaNi_5$ 베드를 이용한 수소 흡장반응 해석 모델 개발)

  • Nam, Jinmoo;Ju, Hyunchul
    • 한국신재생에너지학회:학술대회논문집
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    • 2010.06a
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    • pp.225.1-225.1
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    • 2010
  • Within recent years attention has been focused on the method of hydrogen storage using metal hydride reactor due to its high energy density, durability, safety and low operating pressure. In this paper, a numerical study is carried out to investigate the coupled heat and mass transfer process for absorption in a cylindrical metal hydride hydrogen storage reactor using a newly developed model. The simulation results demonstrate the evolution of temperature, equilibrium pressure, H/M atomic ratio and velocity distribution as time goes by. Initially, hydrogen is absorbed earlier from near the wall which sets the cooling boundary condition owing to that absorption process is exothermic reaction. Temperature increases rapidly in entire region at the beginning stage due to the initial low temperature and enough metal surface for hydrogen absorption. As time goes by, temperature decreases slowly from the wall region due to the better heat removal. Equilibrium pressure distribution appears similarly with temperature distribution for reasons of the function of temperature. This work provides a detailed insight into the mechanism and corresponding physicochemical phenomena in the reactor during the hydrogen absorption process.

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Structure of Edge Flame in a Methane-Oxygen Mixing Layer (메탄/순산소 혼합층에서 edge flame의 구조)

  • Choi, S.K.;Kim, J.;Chung, S.H.;Kim, J.S.
    • 한국연소학회:학술대회논문집
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    • 2006.04a
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    • pp.149-156
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    • 2006
  • Structure of edge flame established in a mixing layer, formed between two uniformly flowing pure $CH_4$ and pure $O_2$ streams, is numerically investigated by employing a detailed methane-oxidation mechanism. The numerical results exhibited the most outstanding distinction of using pure oxygen in the fuel-rich premixed-flame front, through which the carbon-containing compound is found to leak mainly in the form of CO instead of HC compounds, contrary to the rich $CH_4-air$ premixed flames in which $CH_4$ as well as $C_2H_m$ leakage can occur. Moreover, while passing through the rich premixed flame, a major route for CO production, in addition to the direct $CH_4$ decomposition, is found to be $C_2H_m$ compound formation followed by their decomposition into CO. Beyond the rich premixed flame front, CO is further oxidized into $CO_2$ in a broad diffusion-flame-like reaction zone located around moderately fuel-rich side of the stoichiometric mixture by the OH radical from the fuel-lean premixed-flame front. Since the secondary CO production through $C_2H_m$ decomposition has a relatively strong reaction intensity, an additional heat-release branch appears and the resulting heat-release profile can no longer be seen as a tribrachial structure.

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Structure of Edge Flame in a Methane-Oxygen Mixing Layer (메탄/순산소 혼합층에서 Edge Flame의 구조)

  • Choi, S.K.;Kim, J.;Chung, S.H.;Kim, J.S.
    • Journal of the Korean Society of Combustion
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    • v.11 no.1
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    • pp.19-26
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    • 2006
  • Structure of edge flame established in a mixing layer, formed between two uniformly flowing pure $CH_4$ and pure $O_2$ streams, is numerically investigated by employing a detailed methane-oxidation mechanism. The numerical results exhibited the most outstanding distinction of using pure oxygen in the fuel-rich premixed-flame front, through which the carbon-containing compound is found to leak mainly in the form of CO instead of HC compounds, contrary to the rich $CH_4-air$ premixed flames in which $CH_4$ as well as $C_2H_m$ leakage can occur. Moreover, while passing through the rich premixed flame, a major route for CO production, in addition to the direct $CH_4$ decomposition, is found to be $C_2H_m$ compound formation followed by their decomposition into CO. Beyond the rich premixed flame front, CO is further oxidized into $CO_2$ in a broad diffusion-flame-like reaction zone located around moderately fuel-rich side of the stoichiometric mixture by the OH radical from the fuel-lean premixed-flame front. Since the secondary CO production through $C_2H_m$ decomposition has a relatively strong reaction intensity, an additional heat-release branch appears and the resulting heat-release profile can no longer be seen as a tribrachial structure.

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Numerical Study of Thermal Choking Process in a Model SCRamjet Combustor (모델 스크램제트 연소기 내의 열적 질식 과정 수치 연구)

  • Lee, B.R.;Moon, G.W.;Jeung, I.S.;Choi, J.Y.
    • 한국연소학회:학술대회논문집
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    • 2000.12a
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    • pp.83-91
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    • 2000
  • A numerical study was carried out to investigate the 'unstart' process of thermally-choked combustion in model scramjet engines. The combustion mechanism of supersonic combustor will be compared with the experimental results obtained from the T3 free-piston shock tunnel at ANU (Australian National University) and the high enthalpy supersonic wind tunnel at UT (University of Tokyo). For the numerical simulation of supersonic combustion. multi-species Navier-Stokes equations were considered. and detailed chemistry reaction mechanism of $H_2$-Air were adopted. The governing equations were solved by Roe's FDS method and LU-SGS method with MUSCL scheme. In this study. it is found that the thermal choking process could result from excessive heat release due to combustion. In detail, sufficient heat release could be generated at local region of very high temperature increased by reflection of shock waves or vortex sheets. Accordingly the flow of downstream of the combustor fell to subsonic field propagated upstream along the combustor. Sometimes the subsonic flow field propagated into isolator could generate precombustion shock waves in the isolator.

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Mechanisms of Oblique Shock-Induced Combustion Instability

  • Choi, Jeong-Yeol;Jeung, In-Seuck
    • Journal of the Korean Society of Combustion
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    • v.7 no.1
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    • pp.23-30
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    • 2002
  • Instability of oblique detonation waves (ODW) at off-attaching condition was investigated through a series of numerical simulations. Two-dimensional wedge of finite length was considered in $H_2/O_2/N_2$ mixtures at superdetonative condition. Numerical simulation was carried out with a compressible fluid dynamics code and a detailed hydrogen-oxygen combustion mechanism. Present result reveals that there is a chemical kinetic limit of the ODW detachment, in addition to the theoretical limit predicted by Rankine-Hugoniot theory with equilibrium chemistry. Result also presents that ODW still attaches at a wedge as an oblique shock-induced flame showing periodically unstable motion, if the Rankine-Hugoniot limit of detachment is satisfied but the chemical kinetic limit is not. Mechanism of the periodic instability is considered as interactions of shock and reaction waves coupled with chemical kinetic effects. From the investigation of characteristic chemical time, condition of the periodic instability is identified as follows; at the detaching condition of the Rankine-Hugoniot theory, (1) flow residence time is smaller than the chemical characteristic time, behind the detached shock wave with heat addition, (2) flow residence time should be greater than the chemical characteristic time, behind an oblique shock wave without heat addition.

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Lysophosphatidic Acid-Induced TWIST1 and Slug Expression in Oral Cancer Cell Invasion

  • Cho, Kyung Hwa
    • Journal of dental hygiene science
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    • v.17 no.5
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    • pp.433-438
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    • 2017
  • Relative to its incidence, oral cancer has serious negative social effects. The exact causes of oral cancer have not been clarified, but many studies have implicated smoking and drinking. However, the fundamental mechanism of oral cancer causation has yet to be elucidated. Lysophosphatidic acid (LPA) augments epithelial mesenchymal transition (EMT) and development of various cancer cells. However, a detailed mechanistic explanation for LPA-induced EMT and the effects of EMT-promoting conditions on oral squamous cell carcinoma development remain elusive. In the present study, a quantitative reverse transcription polymerase chain reaction was used to analyze TWIST1, Slug, E-cadherin, and glyceraldehyde-3-phosphate dehydrogenase (GAPDH) transcript expression. Immunoblotting was used to analyze TWIST1, Slug, E-cadherin, and GAPDH protein expression. siRNAs were used to silence TWIST1 and Slug transcript expression. A matrigel-coated in vitro invasion insert was used to analyze oral cancer cell invasion. The results of the present study show that the expression levels of TWIST1 and Slug, which are EMT factors, were increased by LPA treatment in YD-10B oral squamous cell carcinoma. Conversely, E-cadherin expression was significantly reduced. In addition, transfection of the cells with TWIST1 and Slug siRNA strongly inhibited LPA-induced oral cancer cell invasion. The present study shows that TWIST1 and Slug mediate LPA-induced oral cancer cell EMT and invasiveness. The present study confirmed the mechanism by which LPA promotes oral cancer cell development, with TWIST1 and Slug providing novel biomarkers and promising therapeutic targets for oral cancer cell development.

Adsorption and Thermal Reduction Mechanism of CO2 on ZnO/Cu Model Catalysts

  • Kim, Yeonwoo;Kim, Sehun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.191.2-191.2
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    • 2014
  • Cu/ZnO/$Al_2O_3$ is widely used methanol synthesis catalyst at elevated pressures P (50 to 100 bar) and temperatures T (473 to 573 K) using $CO_2$, CO, $H_2$ syngas mixture. Although Cu step and planar defects have been regarded as active sites in this catalyst, detailed $CO_2$ hydrogenation procedure has been still unknown and debated as well as initial intermediate. In this study, we investigated the mechanism of $CO_2$ hydrogenation on Cu(111) model surface at P (1 bar) and T (298 to 450 K) using reflection absorption infrared spectroscopy (RAIRS). Two distinct formates by hydrogenation of $CO_2$, on step and on terrace, show different behavior with elevating temperature. The peak intensity of on step formate was continuously decreased above 360 K up to 450K in contrast to the increase of on terrace formate. These phenomena are strong possibilities that the formate is initial intermediate and is desorbed by hydrogenation reaction because thermal desorption temperature of formate (~470 K) is much higher than desorption of on step formate. And the formate production peak of on step site was weakly correlated with CO formation.

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Transverse and Diagonal Mode Structures of Three-dimensional Detonation Wave (3차원 데토네이션 파의 수평 및 대각선 모드 파면 구조)

  • Cho Deok-Rae;Choi Jeong-Yeol
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • v.y2005m4
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    • pp.343-346
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    • 2005
  • Three dimensional structures of detonation wave propagating through a square-shaped duct were investigated using computational method and parallel processing. Inviscid fluid dynamics equations coupled with $variable-{\gamma}$ formulation and simplified one-step Arrhenius chemical reaction model were analysed by MUSCL-type TVD scheme and four stage Runge-Kutta time integration. The unsteady computational results in three dimension show the detailed mechanism of transverse mode and diagonal mode of detonation wave instabilities resulting same cell length but different cell width in smoked-foil record.

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Unsteady Flamelet Modeling for Flame Structure and Soot Formation of Lanimar Non-premixed CH4/Air Flame (비정상 화염편 모델을 이용한 대기압 층류 비예혼합 CH4/Air 화염장의 매연입자 생성 특성 및 화염구조 해석)

  • Kim, Taehoon;Jeon, Sangtae;Kim, Yongmo
    • 한국연소학회:학술대회논문집
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    • 2012.11a
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    • pp.137-138
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    • 2012
  • The two-equation soot model based on the transient laminar flamelet model is implemented for soot formation of laminar non-premixed $CH_4/Air$ flame with detailed chemical reaction mechanism and complex thermodynamic properties. The soot model represents nucleation, growth and oxidation with gas-phase chemistry. This represented unsteady flamelet soot model has been tested and compared using well verified reference calculation result obtained solving the Full Transport Equations method.

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Numerical Studies on Soot Formation Characteristics of Turbulent Non-premixed and Partially Premixed Flames (난류 비예혼합 및 부분예혼합 화염장에서 매연입자의 생성특성 해석)

  • Kim, Taehoon;Lee, Jeongwon;Kim, Yongmo
    • 한국연소학회:학술대회논문집
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    • 2012.11a
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    • pp.141-143
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    • 2012
  • The present study is aiming at numerically analyze the soot formation processes coupled with gas reaction mechanism in turbulent non-premixed and partially premixed flames. In order to realistically represent turbulence-chemistry interactions with detailed chemical kinetics and soot formation behaviour related to the turbulent non-premixed and partially premixed flames, the transient flamelet[1] and flamelet based level-set approach[2] are coupled with soot formation based on the two equation model [3] and DQMOM (Direct Quadrature Method of Moment)[4].

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