• 제목/요약/키워드: Stoichiometric model

검색결과 95건 처리시간 0.028초

고체 알칼리 연료전지 모델링 (Numerical Modeling of Solid Alkaline Fuel Cell)

  • 김경연;손영준;최영우;박석희;김창수
    • 한국신재생에너지학회:학술대회논문집
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    • 한국신재생에너지학회 2011년도 춘계학술대회 초록집
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    • pp.98.1-98.1
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    • 2011
  • We present here an isothermal, one-dimensional, steady-state model for a solid alkaline fuel cell (SAFC) with an anion exchange membrane. The conducting ions now move from the cathode to the anode in SAFC. The water is produced at the anode and is also a stoichiometric reactant at the cathode as well as hydrogen and oxygen. In the present model, a net-water-per-proton flux ratio can be predicted and the water transport in the SAFC is explained for various operating conditions.

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ANALYSIS OF EQUILIBRIUM METHODS FOR THE COMPUTATIONAL MODEL OF THE MARK-IV ELECTR OREFINER

  • Cumberland, Riley;Hoover, Robert;Phongikaroon, Supathorn;Yim, Man-Sung
    • Nuclear Engineering and Technology
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    • 제43권6호
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    • pp.547-556
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    • 2011
  • Two computational methods for determining equilibrium states for the Mark-IV electrorefiner (ER) have been assessed to improve the current computational electrorefiner model developed at University of Idaho. Both methods were validated against measured data to better understand their effects on the calculation of the equilibrium compositions in the ER. In addition, a sensitivity study was performed on the effect of specific unknown activity coefficients-including sodium in molten cadmium, zirconium in molten cadmium, and sodium chloride in molten LiCl-KCl. Both computational methods produced identical results, which stayed within the 95% confidence interval of the experimental data. Furthermore, sensitivity to unavailable activity coefficients was found to be low (a change in concentration of less than 3 ppm).

선회유동을 가지는 난류 예혼합 부상화염장의 해석 (Numerical Modeling of Turbulent Swirling Premixed Lifted Flames)

  • 강성모;김용모;정재화;안달홍
    • 한국연소학회:학술대회논문집
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    • 한국연소학회 2006년도 제32회 KOSCO SYMPOSIUM 논문집
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    • pp.89-95
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    • 2006
  • This study has numerically modelled the combustion processes of the turbulent swirling premixed lifted flames in the low-swirl burner (LSB). In these turbulent swirling premixed flames, the four tangentially-injected air jets induce the turbulent swirling flow which plays the crucial role to stabilize the turbulent lifted flame. In the present approach, the turbulence-chemistry interaction is represented by the level-set based flamelet model. Two-dimensional and three-dimensional computations are made for the various swirl numbers and nozzle length. In terms of the centerline velocity profiles and flame liftoff heights, numerical results are compared with experimental data The three-dimensional approach yields the much better conformity with agreements with measurements without any analytic assumptions on the inlet swirl profiles, compared to the two-dimensional approach. Numerical clearly results indicate that the present level-set based flamelet approach has realistically simulated the structure and stabilization mechanism of the turbulent swirling stoichiometric and lean-premixed lifted flames in the low-swirl burner.

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철도터널 화재 시 구난역 내의 연기거동에 대한 수치해석 연구 (Numerical Investigation on Smoke Behavior in Rescue Station for Tunnel Fires)

  • 홍사훈;유홍선;이성혁
    • 한국철도학회:학술대회논문집
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    • 한국철도학회 2008년도 춘계학술대회 논문집
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    • pp.1740-1746
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    • 2008
  • The present study performed numerical investigation to analyze the smoke behavior in the rescue station by using the commercial CFD code (FLUENT Ver 6.3). The present study adopted a 10MW ultrafast mode for simulation, and it also used the MVHS(Modify Volumetric Heat Source) model modified from the original VHS(Volumetric Heat Source) model in order to treat the product generation and the oxygen consumption under the stoichiometric state. In addition, the present simulation includes the species conservation equation for the materialization of heat source and the estimation of smoke movement. From the results, the smoke flows are moving along the ceiling because of thermal buoyancy force and as time goes, the smoke gradually moves downward at the vicinity of the entrance. Moreover, without using ventilation, it is found that the smoke flows no longer spread across the cross-passages because the pressure in the non-accident tunnel is higher than that in the accident tunnel.

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Convection in the growth of zinc telluride single crystal by physical vapor transport

  • Kim, Geug-Tae
    • 한국결정성장학회지
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    • 제13권4호
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    • pp.187-198
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    • 2003
  • Zinc selenide (ZnSe) single crystals hold promise for many electro-optics, acousto-optic and green laser generation applications. This material is prepared in closed ampoules by the physical vapor transport (PVT) growth method based on the dissociative sublimation. We investigate the effects of diffusive-convection on the crystal growth rate of ZnSe with a low vapor pressure system in a horizontal configuration. Our results show that for the ratios of partial pressures, s=0.2 and 2.9, the growth rate increases with the Peclet number and the temperature differences between the source and crystal. As the ratio of partial pressures approaches the stoichiometric value of 2, the rate increases. The mass fluk based on one dimensional (1D model) flow for low vapor pressure system fall within the range of the predictions (2D model) obtained by solving the coupled set of conservation equations, which indicates the flow fields would be advective-diffusive. Therefore, the rate and the flow fields are independent of gravity acceleration levels.

Study of Kinetics of Bromophenol Blue Fading in the Presence of SDS, DTAB and Triton X-100 by Classical Model

  • Samiey, Babak;Alizadeh, Kamal;Moghaddasi, Mohammad Ali;Mousavi, Mir Fazlolah;Alzadeh, Nader
    • Bulletin of the Korean Chemical Society
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    • 제25권5호
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    • pp.726-736
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    • 2004
  • In this paper, kinetics of reaction between Bromophenol blue (BPB) and $OH^-$, called fading, has been studied through a spectrophotometric method in the presence of nonionic Triton X-100 (TX-100), anionic sodium dodecyl sulfate (SDS) and cationic dodecyl trimethylammonium bromide (DTAB) surfactants. The influence of changes in the surfactant concentration on the observed rate constant was investigated. The results are treated quantitatively by pseudophase ion-exchange (PPIE) model and a new simple model called "classical model". The binding constants of BPB molecules to the micelles and free molecules of surfactants, their stoichiometric ratios and thermodynamic parameters of binding have been evaluated. It was found that SDS has nearly no effect on the fading rate up to 10 mM, whereas TX-100 and DTAB interact with BPB which reduce the reaction rate. By the use of fading reaction of BPB, the binding constants of SDS molecules to TX-100 micelles and their Langmuir and Freundlich adsorption isotherms were obtained and when mixtures of DTAB and TX-100 were used, no interaction was observed between these two surfactants.

Piston Crevice Hydrocarbon Oxidation During Expansion Process in an SI Engine

  • Kyoungdoug Min;Kim, Sejun
    • Journal of Mechanical Science and Technology
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    • 제17권6호
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    • pp.888-895
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    • 2003
  • Combustion chamber crevices in SI engines are identified as the largest contributors to the engine-out hydrocarbon emissions. The largest crevice is the piston ring-pack crevice. A numerical simulation method was developed, which would allow to predict and understand the oxidation process of piston crevice hydrocarbons. A computational mesh with a moving grid to represent the piston motion was built and a 4-step oxidation model involving seven species was used. The sixteen coefficients in the rate expressions of 4-step oxidation model are optimized based on the results from a study on the detailed chemical kinetic mechanism of oxidation in the engine combustion chamber. Propane was used as the fuel in order to eliminate oil layer absorption and the liquid fuel effect. Initial conditions of the burned gas temperature and in-cylinder pressure were obtained from the 2-zone cycle simulation model. And the simulation was carried out from the end of combustion to the exhaust valve opening for various engine speeds, loads, equivalence ratios and crevice volumes. The total hydrocarbon (THC) oxidation in the crevice during the expansion stroke was 54.9% at 1500 rpm and 0.4 bar (warmed-up condition). The oxidation rate increased at high loads, high swirl ratios, and near stoichiometric conditions. As the crevice volume increased, the amount of unburned HC left at EVO (Exhaust Valve Opening) increased slightly.

요소용액을 이용한 파일럿규모 SNCR 공정에 대한 CFD 모델링 및 모사 (Computational Fluid Dynamics(CFD) Simulation for a Pilot-scale Selective Non-catalytic Reduction(SNCR) Process Using Urea Solution)

  • 뉘엔타인;강태호;임영일;김성준;엄원현;유경선
    • Korean Chemical Engineering Research
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    • 제46권5호
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    • pp.922-930
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    • 2008
  • 질소산화물($NO_x$) 저감을 위한 선택적 무촉매 환원(SNCR; selective non-catalytic reduction) 공정의 성능은 유속, 반응온도 그리고 반응물간의 혼합과 같은 공정변수에 민감하다. 따라서 효율적인 SNCR 공정의 설계와 운전을 위하여 속도장, 온도장, 및 화학물질들의 농도 분포에 대한 이해가 필수적이다. 본 연구에서는 150 kW LPG 버너가 장착되고, 요소용액을 환원제로 사용하는 파일럿 규모 SNCR 공정에 대하여 액적모델과 결합된 2차원 난류반응흐름 전산유체역학(CFD; computational fluid dynamics) 모델을 개발하고, 이 모델은 실험결과를 통하여 검증된다. 난류반응 CFD 모델에서는 $NO_x$저감율과 $NH_3$-slip을 예측하기 위하여 7개 반응식으로 이루어진 요소용액과 $NO_x$와의 반응기작을 이용한다. 이러한 모델을 이용한 CFD 모사결과는 온도와 NSR(normalized stoichiometric ratio)에 따른 $NO_x$ 저감율에서 실험결과와 최대 20% 이내에서 차이를 보여주고 있으며, $NH_3$-slip에 대하여는 실험결과와 모사결과 사이에 유사한 경향성을 얻었다.

Formation of a Unique 1:2 Calcium-Calixquinone Complex in Aqueous Media

  • Kang, Sun-Kil;Lee, One-Sun;Chang, Suk-Kyu;Chung, Doo-Soo;Kim, Ha-Suck;Chung, Taek-Dong
    • Bulletin of the Korean Chemical Society
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    • 제32권3호
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    • pp.793-799
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    • 2011
  • We report the complexation behavior of calix[4]arenemonoquinone-triacid (CTAQ), which is an electroactive and water-soluble receptor for calcium ion. UV-visible and NMR spectroscopic studies revealed that CTAQ in aqueous media forms 1:2 as well as 1:1 (metal ion:CTAQ) stoichiometric complexes with $Ca^{2+}$, $Sr^{2+}$, and $Ba^{2+}$ ions. The nonlinear fitting of titration curves based on UV-visible absorption spectra showed that the binding constants of CTAQ for $Ca^{2+}$ ion are 4 $({\pm}2){\times}10^6\;M^{-1}$ for 1:1 and 1.4 $({\pm}0.5){\times}10^{11}\;M^{-2}$ for 1:2 complex. NMR conformational studies and the titration curves corroborate that the $Ca^{2+}$:CTAQ complex in aqueous solution is not present in the form of merely 1:1 one, being consistent with UV-visible spectrophotometric results. The Monte Carlo simulation supports the presence of a stable conformer of 1:2 complexes in which a $Ca^{2+}$ ion is interposed between two CTAQs at the global minimum. This is the first model of 1:2 stoichiometric complex of calix[4]arene and alkaline earth ions in aqueous media.

전단동축형인젝터를 통해 분사된 메탄-산소 이원추진제의 연소특성 (Combustion Characteristics of the Methane-Oxygen Bipropellant Injected by a Shear-coaxial Injector)

  • 홍준열;배성훈;배대석;김정수
    • 한국추진공학회:학술대회논문집
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    • 한국추진공학회 2017년도 제48회 춘계학술대회논문집
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    • pp.787-790
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    • 2017
  • 본 연구는 이원추진제 추력기(thruster)에 사용되는 메탄-산소 연소특성규명의 선행연구로서 모델연소실 내 전단동축형인젝터를 통해 분사된 기체메탄-기체산소 비예혼합화염의 연소안정한계 및 화염형상을 도출하기 위한 실험적 연구가 수행되었다. DSLR 카메라를 이용하여 화염 직접이미지(direct image)를 촬영하였고, 이미지 후처리(post-processing)를 통해 연소특성파악 및 화염길이 정량화를 수행하였다. 그 결과, 산화제 레이놀즈 수($Re_o$)가 증가함에 따라 이론반응비(stoichiometric ratio)에서 안정된 화염이 발생하였고, 동일 인젝터직경 조건에서 난류화염의 길이가 늘어남을 확인하였다.

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