• Title/Summary/Keyword: Stoichiometric model

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

  • Kim, Kyoungyoun;Sohn, Young-Jun;Choi, Young-Woo;Park, Seok-Hee;Kim, Chang-Soo
    • 한국신재생에너지학회:학술대회논문집
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    • 2011.05a
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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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    • v.43 no.6
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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).

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

  • Kang, Sung-Mo;Kim, Yong-Mo;Chung, Jae-Hwa;Ahn, Dal-Hong
    • 한국연소학회:학술대회논문집
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    • 2006.04a
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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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Numerical Investigation on Smoke Behavior in Rescue Station for Tunnel Fires (철도터널 화재 시 구난역 내의 연기거동에 대한 수치해석 연구)

  • Hong, Sa-Hoon;Ryou, Hong-Sun;Lee, Seong-Hyuk
    • Proceedings of the KSR Conference
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    • 2008.06a
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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
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.13 no.4
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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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    • v.25 no.5
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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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    • v.17 no.6
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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.

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

  • Nguyen, Thanh D.B.;Kang, Tae-Ho;Lim, Young-Il;Kim, Seong-Joon;Eom, Won-Hyeon;Yoo, Kyung-Seun
    • Korean Chemical Engineering Research
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    • v.46 no.5
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    • pp.922-930
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    • 2008
  • The selective non-catalytic reduction(SNCR) performance is sensitive to the process parameters such as flow velocity, reaction temperature and mixing of reagent(ammonia or urea) with the flue gases. Therefore, the knowledge of the velocity field, temperature field and species concentration distribution is crucial for the design and operation of an effective SNCR injection system. In this work, a full-scale two-dimensional computational fluid dynamics(CFD)-based reacting model involving a droplet model is built and validated with the data obtained from a pilot-scale urea-based SNCR reactor installed with a 150 kW LPG burner. The kinetic mechanism with seven reactions for nitrogen oxides($NO_x$) reduction by urea-water solution is used to predict $NO_x$ reduction and ammonia slip. Using the turbulent reacting flow CFD model involving the discrete droplet phase, the CFD simulation results show maximum 20% difference from the experimental data for NO reduction. For $NH_3$ slip, the simulation results have a similar tendency with the experimental data with regard to the temperature and the normalized stoichiometric ratio(NSR).

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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    • v.32 no.3
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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.

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

  • Hong, Joon Yeol;Bae, Seong Hun;Bae, Dae Seok;Kim, Jeong Soo
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2017.05a
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    • pp.787-790
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    • 2017
  • This study is a preliminary research on characterization of methane - oxygen combustion used in bipropellant thruster. The limit of combustion stability and flame shape of methane - oxygen non-premixed flame injected by shear coaxial injector in the model combustion chamber Experimental studies have been carried out. A direct image of the flame was photographed using a DSLR camera, and combustion characteristics and flame length were quantified through image post-processing. As a result, it was confirmed that the stabilized flame was generated at the stoichiometric ratio as the oxidizer Reynolds number ($Re_o$) was increased, and the length of the turbulent flame was increased under the same injector diameter condition.

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