• Title/Summary/Keyword: 화학반응 코드

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Performance Simulation of Planar Solid Oxide Fuel Cells Characteristics: Computational Fluid Dynamics (전산 유체 모델링을 이용한 평판형 고체산화물 연료전지 작동특성 전산모사)

  • Woo Hyo Sang;Chung Yong-Chae
    • Journal of the Korean Electrochemical Society
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    • v.7 no.2
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    • pp.69-79
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    • 2004
  • To correctly simulate performance characteristics of fuel cells with a modeling method, various physical and chemical phenomena must be considered in fuel cells. In this study, performance characteristics of planar solid oxide fuel cells were simulated by a commercial CFD code, CFD-ACE+. Through simultaneous considerations for mass transfer, heat transfer and charge movement according to electrochemical reactions in the 3-dimensional planar SOFC unit stack, we could successfully predict performance characteristics of solid oxide fuel cells under operation for structural and progress variables. In other words, we solved mass fraction distribution of reactants and products for diffusion and movement, and investigated qualitative and quantitative analysis for performance characteristics in the SOFC unit stack through internal temperature distribution and polarization curve for electrical characteristics. Through this study, we could effectively predict performance characteristics with variables in the unit stack of planar SOFCs and present systematic approach for SOFCs under operation by computer simulation.

Numerical Analysis of Molten Carbonate Fuel Cell Stack Using Computational Fluid Dynamics (CFD를 이용한 용융탄산염 연료전지 스택의 수치모사)

  • Lee, Kab-Soo;Cho, Hyun-Ho
    • Journal of the Korean Electrochemical Society
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    • v.8 no.4
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    • pp.155-161
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    • 2005
  • In this paper, commercial CFD program FLUENT v5.3 is used for simulation of MCFC stack. Besides using conservation equations included in FLUENT by default, mass change, mole fraction change and heat added or removed due to electrochemical reactions and water gas shift reaction are considered by adding several equations using user defined function. The stacks calculated are 6 and 25 kW class coflow stack which are composed of 20 and 40 unit cells respectively. Simulation results showed that pressure drop took place in the direction of gas flow, and the pressure drop of cathode side is more larger than that of anode side. And the velocity of cathode gas decreased along with the gas flow direction, but the velocity of anode gas increased because of the mass and volume changes by the chemical reactions in each electrodes. Simulated temperature profile of the stack tended to increase along with the gas flow direction and it showed similar results with the experimental data. Water gas shift reaction was endothermic at the gas inlet side but it was exothermic at the outlet side of electrode respectively. Therefore water gas shift reaction played a role in increasing temperature difference between inlet and outlet side of stack. This results suggests that the simulation of large scale commercial stacks need to consider water gas shift reaction.

Chemical Reacting Flow Analysis of the 30 tonf - class KARl LRE Nozzle (KARI 30톤급 액체로켓엔진 노즐 유동 화학 반응 해석)

  • Lee, Dae-Sung;Kang, Ki-Ha;Cho, Duck-Rae;Choi, J.Y.;Choi, H.S.
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2007.11a
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    • pp.105-109
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    • 2007
  • Three methods of nozzle flow analysis, frozen-equilibrium, shifting-equilibrium and non-equilibrium approaches, were used to rocket nozzle flow, those were coupled with the methods of computational fluid dynamics code. For a design of high temperature rocket nozzle, chemical equilibrium analysis which shares the same numerical characteristics with frozen flow analysis can be an efficient design tool for predicting maximum thermodynamic performance of the nozzle. In this study, shifting-equilibrium flow analysis was carried out for the 30 $ton_f$-class KARl liquid rocket engine nozzle together with frozen flow. The performance evaluation based on the 30 $ton_f$-class KARl LRE nozzle flow analyses will provide an understanding of the thermochemical process in the nozzle and performances of nozzle.

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The Effects of N2 Diluent and Preheated Air on Soot Emission in Laminar Diffusion Flames (층류확산화염에서 질소 첨가와 예열온도가 매연 생성에 미치는 영향)

  • Jeong, Yong-Ki;Lee, Jong-Ho;Jeon, Chung-Hwan;Jang, Young-June
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.28 no.1
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    • pp.1-8
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    • 2004
  • An study has been performed with axisymmetric coflow diffusion flames to investigate the influence of air-side fuel side dilution and initial preheated temperature on the soot formation in methan/air flames. Soot quantities are determined by using PLII(Planar Laser Induced Incandescence), such a $C_2$H$_2$ major species(CH$_4$, $O_2$, $N_2$) and temperature are simulated by chemkin code. The numerical analysis was performed with transport properties and detailed reaction mechanisms m axisymmetric coflow diffusion flames. The study of how flame temperature and $N_2$ dilution of air and fuel side influence the soot concentrations is focused. Soot concentrations results on PLII show that preheated temperature contributes to an increase in the soot volume fraction, and soot formation Is more productive to air side dilution than to fuel side dilution. $C_2$H$_2$ concentrations have a similar tendency to soot concentrations.

Development of Real-Fluid Package Compatible with Chemkin for High-Pressure Kerosene/LOx Combustion (케로신/액체산소의 고압 연소해석을 위한 열역학/전달 물성치 해석 패키지 개발)

  • Kim, Seong-Ku;Choi, Hwan-Seok
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2011.04a
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    • pp.89-92
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    • 2011
  • The modeling of thermodynamic non-idealities and transport anomalies is a crucial prerequisite to realistically simulate the mixing and combustion processes of liquid propellants injected above critical pressures. This study has developed a specific set of subroutines to calculate the thermodynamic and transport properties based on the generalized cubic equation of state (EoS) in a coupled manner with the standard chemical kinetics packages (Chemkin). The existing flamelet analysis code is extended with the real-fluid package and applied to numerical investigation of local flame structures of kerosene and liquid oxygen at high pressure conditions relevant to the actual rocket engines.

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A Study on CFD Analysis of Internal Flow for GaN Growth Reactor (CFD를 이용한 GaN 성장로 내부 유동해석 연구)

  • Jung, Eui-Man;Kwon, Hey-Lim;Choi, Joo-Ho;Jang, Seok-Pil;Jang, Hyun-Sool;Lee, Hae-Yong
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 2010.04a
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    • pp.618-619
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    • 2010
  • LED는 기존의 발광원에 비해 훨씬 높은 파워와 효율성으로 인해 최근 들어 각종 조명이나 교통신호 등에서 사용이 급증하고 있다. LED 재료를 위해 지금까지 여러가지가 연구되어 왔는데, 갈륨 질화물 (Gallium Nitride, GaN)에 기반한 시스템이 최근들어 가장 큰 관심을 받고 있다. GaN 방식은 열적으로 매우 안정성이 있고, 1.9 ~ 6.2 eV 범위의 넓은 밴드의 Gap, 그리고 인듐이나 알루미늄과 결합하여 청, 녹, 백색등의 다양한 빛을 발생할 수 있는 장점을 가지고 있다. 예를 들어 청색 LED는 광학 방식의 기록매체에, 백색 LED는 기존의 조명램프의 대체용으로 활용이 가능하다. 이러한 장점 덕분에 GaN기반 LED 시장은 1994년에 최초로 상용화 된 이래 최근 급격한 성장을 보여 왔다. 그러나 GaN은 다른 III~V 타입의 반도체 재료와는 달리 재료가 성장하기 위해 사파이어와 같은 별도의 기판을 필요로 하는 문제가 있다. 이것은 결국 전위발생과 같은 격자의 부조화 같은 문제를 야기하여 결국 LED의 성능을 떨어뜨리는 요인이 된다. 이러한 문제를 해결하기 위해 HVPE(Hydride Vapor Phase Epitaxy) 방법이 개발되었는데, 이 방법은 시간당 100 미크론의 매우 빠른 성장속도로 높은 두께의 레이어를 만드는 장점이 있다. 이렇게 성장된 GaN 레이어는 베이스 기판에서 쉽게 분리되어 활용이 가능하다. 그러나 HVPE 기술은 성장 공정에서 두께를 균일하게 만들도록 제어하는 것이 매우 어렵다는 문제가 있다. 따라서 HVPE 방식에서는 이러한 조건을 만족시키기 위해 반응현상에 대한 물리적 해석을 토대로 공정조건을 정밀하게 설계해야 한다. 이를 위해 최근에 실험 또는 시뮬레이션을 활용하여 이러한 공정조건을 향상시키기 위한 여러 연구가 진행되었다. 본 연구에서는 이러한 연구의 일환으로 반응로에 투입되는 여러 기체의 유량과 존별 주변온도 조건을 입력변수로 하고, 이들이 GaN 성장에 미치는 영향을 분석하였다. HVPE 시스템에서 가장 이상적인 목표는 반응기체가 층류유동을 유지하면서 대부분의 반응이 기판위에서 이뤄지며, 기판위에서 성장되는 재료의 두께가 균일하게 되는 것이다. 입력변수들이 이러한 결과에 어떠한 영향을 미치는 지 분석하기 위해 전산유체역학(CFD, Computational Fluid Dynamics)을 수행하는 상용코드 FLUENT를 사용하였다. 보다 실제에 가까운 해석을 위해서는 기체간의 화학반응을 포함해야 하나, 해석의 편의와 효율을 위해 본 연구에서는 열 및 유동해석만을 수행하였다. 한편 실제 반응로의 우수성은 성장속도와 두께분포의 균일도를 통해 평가된다. CFD 해석을 통해 이들을 분석하기 위해 기존에 수행한 실험조건을 해석하고 해석결과의 유동패턴/압력분포를 실험결과의 성장속도/두께분포와 비교하고, 이중에서 관련성이 높은 해석결과변수를 우수성 평가에 활용하였다. 기존의 실험결과를 토대로 이러한 중요 결과변수와 함께 이들에 대한 목표값이 도출되고 나면, 입력 공정조건 - 사용기체의 유량과 주변온도 조건 - 에 대해 실험계획(DOE,Design of Experiment)을 수립하고 목표성능을 구현하기 위한 최적설계를 수행할 수 있다. 일반적으로 CFD를 통해 최적의 설계나 공정조건을 탐색하는 작업은 1회의 CFD 계산시간이 매우 오래 소요되기 때문에 쉽지 않다. 그러나 본 연구에서는 CFD와 DOE의 적절한 조합을 통해 적은 수의 해석을 가지고도 원하는 결과를 효율적으로 얻는 것이 가능함을 입증하고자 한다. 본 발표에서는 아직 이러한 연구가 완성되지 않은 시점에서 제반 연구개요를 소개하고 현 시점까지의 연구 결과 및 향후 계획을 소개하고자 한다.

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Design of 1.0V O2 and H2O2 based Potentiostat (전원전압 1.0V 산소 및 과산화수소 기반의 정전압분극장치 설계)

  • Kim, Jea-Duck;XIAOLEI, ZHONG;Choi, Seong-Yeol;Kim, Yeong-Seuk
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.21 no.2
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    • pp.345-352
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    • 2017
  • In this paper, a unified potentiostat which can measure the current of both $O_2$-based and $H_2O_2$-based blood glucose sensors with low supply voltage of 1.0V has been designed and verified by simulations and measurements. Potentiostat is composed of low-voltage operational transconductance amplifier, cascode current mirrors and mode-selection circuits. It can measure currents of blood glucose chemical reactions occurred by $O_2$ or $H_2O_2$. The body of PMOS input differentional stage of the operational transconductance amplifier is forward-biased to reduce the threshold voltage for low supply voltage operation. Also, cascode current mirror is used to reduce current measurement error generated by channel length modulation effects. The proposed low-voltage potentiostat is designed and simulated using Cadence SPECTRE and fabricated in Magnachip 0.18um CMOS technology with chip size of $110{\mu}m{\times}60{\mu}m$. The measurement results show that consumption current is maximum $46{\mu}A$ at supply voltage of 1.0V. Using the persian potassium($K_3Fe(CN)_6$) equivalent to glucose, the operation of the fabricated potentiostat was confirmed.

A Numerical Study on the Fire Suppression Characteristics of a Water Mist with Natural Wind in a Road Tunnel (도로터널에서 자연풍에 의한 미세물분무의 화재제어 특성에 관한 수치해석 연구)

  • Hwang, Cheol-Hong;Kim, Han-Su;Lee, Chang-Eon;Jang, Young-Nam;Shin, Hyun-Joon
    • Fire Science and Engineering
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    • v.22 no.3
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    • pp.221-227
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    • 2008
  • In this study, the fire suppression characteristics of a water mist with natural wind in a road tunnel were calculated using the FDS(Fire Dynamic Simulation) code. In addition, the cooling and the chemical kinetic effects of water vapor on fire extinction ere investigated in a counterflow non-premixed flame using a detailed chemistry. As a result, the behavior of fire plume and the spray characteristics of water mist are modified remarkably with the increasing of wind velocity. In the case which is not the external natural wind, small droplets are more efficient in fire suppression than large droplets. However, the large droplets show better results on the fire suppression than the small droplets with the increasing of wind velocity. It can be estimated that the natural wind disturb the penetration of water droplets into the flame region and decrease the effect of oxygen dilution. Finally, it can be identified that the fire into the natural wind can be suppressed with smaller amount of $H_2O$ by flame stretching effect in the flame region than one in an enclosure, and the chemical kinetic effects of $H_2O$ on fire extinction are not affected significantly the velocity of natural wind.

Development of a Simulation Program for the Li-Reduction Process of PWR Spent Fuel (PWR 사용후핵연료의 Li 환원과정 모사 프로그램 개발)

  • Lee, Yun-Hee;Shin, Hee-Sung;Jang, Ji-Woon;Kim, Ho-Dong;Yoon, Ji-Sup
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.4 no.4
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    • pp.335-344
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    • 2006
  • In this paper a computer program was developed, which simulates the Li reduction process of PWR spent fuel, and the amount of a produced metal or chloride compound was calculated at the various amount of Li with the program. It establishes a database, which is composed of some characteristics related to a chemical reaction equation and thermodynamic data, and it calculates the transformed rate of PWR spent fuel oxide at the certain amount of Li by using the database as input data. As the results of the performance test of the program, it was validated that the transformed values of oxides, except for $Eu_2O_3$ and $Sm_2O_3$, were almost the same to within about a 6 % error with those calculated by the previous code and that the calculated amount of Li was also exactly consistent with the theoretical one, which is used for a complete reaction of each oxide in a single chemical reaction. A relationship between Li and the transformed metal of each oxide was analyzed on the basis of the quantities calculated with the verified development program. Of the results, when the amount of Li was given to be 250 mole, the 83.73 percentage of $UO_2$ was transformed into U while the remainder was still to be $UO_2$. In addition, it was appeared that the 297 mole of Li was needed to completely convert $UO_2$ into U.

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Thermal Decomposition and Ablation Analysis of Solid Rocket Propulsion (삭마 및 열분해 반응을 고려한 고체 추진기관의 열해석)

  • Kim, Yun-Chul
    • Journal of the Korean Society of Propulsion Engineers
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    • v.14 no.5
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    • pp.32-44
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    • 2010
  • A two-dimensional thermal response and ablation analysis code for predicting charring material ablation and shape change on solid rocket nozzle is presented. The thermogravimetric analysis (TGA) techniques have been used to characterize the thermal decomposition constants for Arrhenius parameters. Two heterogeneous reactions involving carbon and the oxidizing species of $H_2O$ and $CO_2$ are considered and determined by Zvyagin's ablation model and kinetic constants. The moving boundary problem and mesh moving are solved by remeshing-rezoning method in MSC-Marc-ATAS program. The difference between the calculated and experimental value of char and ablation thickness is up to 20%. For the performance prediction of thermal protection systems, this method will be integrated with a three-dimensional finite-element thermal and structure analysis code through the real time sensing of in-depth temperature and heat flux.