• Title/Summary/Keyword: species transport model

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The Behavior of Negative Ions in Silane Plasma Chemical Vapor Deposition (실란 플라즈마 화학증착에서의 음이온거동)

  • Kim, Kyo-Seon
    • Journal of Industrial Technology
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    • v.14
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    • pp.63-75
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    • 1994
  • The objective of this research is to analyze the phenomena of negative ion behavior in silane plasma chemical vapor deposition. Based on the plasma chemistry, the model equations for the formation and transport of negative ions were proposed and solved. The evolutions of gaseous species along the reactor were presented for several conditions of process variables such as reactor pressure, total gas flow rate, and electric field. Based on the model results, it is found that : (1) The concentration profiles of positive ions show the sharp peaks at the center of plasma reactor. (2) Most of negative ions are located in bulk plasma region, because the negative ions are excluded from the sheath region by electrostatic repulsion.

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Large Eddy Simulation of a Lifted Methane/Air Flame using FGM-based Multi-Environment PDF Approach (FGM기반 Multi-Environment PDF 모델을 이용한 메탄/공기 부상화염장의 Large Eddy Simulation)

  • Kim, Namsu;Kim, Jaehyun;Kim, Yongmo
    • 한국연소학회:학술대회논문집
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    • 2015.12a
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    • pp.265-266
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    • 2015
  • The multi-environment PDF model coupled with flamelet generated manifolds(FGM) has been developed for a large eddy simulation of turbulent partially premixed lifted flame. This approach has a capability to realistically account for the transport and evolution of probability density function for mixture fraction and progress variable with the manageable computational burden. Using the tabulated chemistry, it is possible to track radical distributions which is important to predict autoignition process with the vitiated coflow environment. Numerical results indicate that the present yields the good agreement with experimental data in terms of mixture fraction, temperature, and species mass fractions.

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Numerical Investigations of Turbulent CH4/H2 flames under MILD combustion condition (MILD 연소환경에서의 난류 CH4/H2 난류 화염장 해석)

  • Jeon, Sangtae;Kim, Yongmo
    • 한국연소학회:학술대회논문집
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    • 2015.12a
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    • pp.267-268
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    • 2015
  • The multi-environment probability density function model has been applied to simulate the turbulent $CH_4/H_2$ flames under MILD conditions. The direct quadrature method of moments (DQMOM) has been adopted to solve the transport PDF equation due to its computational efficiency and robustness. The IEM model represents the micromixing process. The numerical results obtained in this study are precisely compared with experimental data in terms of unconditional means and conditional means for scalar field including temperature and species mass fraction.

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Validation of the correlation-based aerosol model in the ISFRA sodium-cooled fast reactor safety analysis code

  • Yoon, Churl;Kim, Sung Il;Lee, Sung Jin;Kang, Seok Hun;Paik, Chan Y.
    • Nuclear Engineering and Technology
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    • v.53 no.12
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    • pp.3966-3978
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    • 2021
  • ISFRA (Integrated SFR Analysis Program for PSA) computer program has been developed for simulating the response of the PGSFR pool design with metal fuel during a severe accident. This paper describes validation of the ISFRA aerosol model against the Aerosol Behavior Code Validation and Evaluation (ABCOVE) experiments undertaken in 1980s for radionuclide transport within a SFR containment. ABCOVE AB5, AB6, and AB7 tests are simulated using the ISFRA aerosol model and the results are compared against the measured data as well as with the simulation results of the MELCOR severe accident code. It is revealed that the ISFRA prediction of single-component aerosols inside a vessel (AB5) is in good agreement with the experimental data as well as with the results of the aerosol model in MELCOR. Moreover, the ISFRA aerosol model can predict the "washout" phenomenon due to the interaction between two aerosol species (AB6) and two-component aerosols without strong mutual interference (AB7). Based on the theory review of the aerosol correlation technique, it is concluded that the ISFRA aerosol model can provide fast, stable calculations with reasonable accuracy for most of the cases unless the aerosol size distribution is strongly deformed from log-normal distribution.

Application of a Numerical Model for the Prediction of Vertical Profiles of Electron Acceptors Based on Degradation of Organic Matter in Benthic Sediments (퇴적 유기물 분해과정에 따른 물질 거동 변화 예측을 위한 수치모델 적용)

  • Choi, Jung-Hyun;Park, Seok-Soon
    • Journal of Korean Society of Environmental Engineers
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    • v.27 no.2
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    • pp.151-157
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    • 2005
  • A one-dimensional numerical model was developed to simulate vertical profiles of electron acceptors and their reduced species in benthic sediments. The model accounted for microbial degradation of organic matter and subsequent chemical reactions of interest using stoichiometric relationships. Depending on the dominant electron acceptors utilized by microorganisms, the benthic sediments were assumed to be vertically subdivided into six zones: (1) aerobic respiration, (2) denitrification, (3) manganese reduction, (4) iron reduction, (5) sulfate reduction, and (6) methanogenesis. The utilizations of electron acceptors in the biologically mediated oxidation of organic matter were represented by Monod-type expression. The mass balance equations formulated for the reactive transport of organic matter, electron acceptors, and their corresponding reduced species in the sediments were solved utilizing an iterative multistep numerical method. The ability of model to simulate a freshwater sediments system was tested by comparing simulation results against published data obtained from lake sediments. The simulation results reasonably agreed with field measurements for most species, except for ammonia. This result showed that the C/N ratio (106/16) in the sediments is lower than what the Redfield formula prescribes. Since accurate estimates of vertical profiles of electron acceptors and their reduced species are important to determine the mobility and bioavailability of trace metals in the sediments, the model has potential application to assess the stability of selected trace metals in the sediments.

Numerical Modeling for the $H_2/CO$ Bluff-Body Stabilized Flames

  • Kim, Seong-Ku;Kim, Yong-Mo;Ahn, Kook-Young;Oh, Koon-Sup
    • Journal of Mechanical Science and Technology
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    • v.14 no.8
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    • pp.879-890
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    • 2000
  • This study investigates the nonpremixed $H_2/CO$-air turbulent flames numerically. The turbulent combustion process is represented by a reaction progress variable model coupled with the presumed joint probability function. In the present study, the turbulent combustion model is applied to analyze the nonadiabatic flames by introducing additional variable in the transport equation of enthalpy and the radiative heat loss is calculated using a local, geometry independent model. Calculations are compared with experimental data in terms of temperature, and mass fraction of major species, radical, and NO. Numerical results indicate that the lower and higher fuel-jet velocity flames have the distinctly different flame structures and NO formation characteristics in the proximity of the outer core vortex zone. The present model correctly predicts the essential features of flame structure and the characteristics of NO formation in the bluff-body stabilized flames. The effects of nonequilibrium chemistry and radiative heat loss on the thermal NO formation are discussed in detail.

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The Characteristics of Turbulent Diffusion Flame Impinging on the Wall (벽면 충돌 난류 확산화염의 특성)

  • Park, Yong Youl;Kim, Ho Young
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.23 no.2
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    • pp.175-184
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    • 1999
  • A theoretical study on the turbulent round jet diffusion flame impinging on the wall was carried out to predict the characteristics and structure of Impinging jet flame and heat transfer to the wall. Finite chemistry via Arrhenius equation and eddy dissipation model was adopted as a combustion model, and the Favre averaging and $k-{\varepsilon}$ model were Introduced In the theoretical modeling. The SIMPLE algorithm was applied to the calculation. All the transport properties were considered as the variable depending on the temperature and composition. For the parametric study, the distance from nozzle to impinging wall and Reynolds number at nozzle exit were chosen 88 the major parameters. As the results of the present study, the characteristics of flow fields, the distributions of main variables and each chemical species and the flame shapes were obtained. The heat transfer rate from the flame to the wall and the effective heating area were calculated to investigate the Influences of the major parameters on the heat transfer characteristics.

Stabilization of Hydrogen Peroxide using Malonic Acid in Fenton and Fenton-like reactions (펜톤 및 펜톤 유사반응에서 말론산을 이용한 과산화수소의 안정화)

  • Kim, Jee-Eun;Ha, Tae-Wook;Kim, Young-Hun
    • Journal of Soil and Groundwater Environment
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    • v.18 no.7
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    • pp.25-31
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    • 2013
  • Hydrogen peroxide takes much of the cost for Fenton reaction applied for treatment of organic contaminants. Therefore, the effective use of hydrogen peroxide makes the technology more cost effective. The effective use of hydrogen peroxide is especially needed in the soil and groundwater remediation where complete mixing is not possible and it takes a long time for reactive species to transport to the fixed target compounds. Stabilization ability for hydrogen peroxide of malonic acid was evaluated in Fenton and Fenton-like reactions in this study. Malonic acid contributes on the stabilization of hydrogen peroxide by weak interaction between iron and the stabilizer and inhibiting the catalytic role of iron. The stabilization effect increased as the solution pH decrease below the $pK_{a1}$. The stabilization effect increased as the concentration of malonic acid increased and the effect was maximized at the malonic acid concentration of about ten times higher than the iron concentration. The model organic contaminant was successfully oxidized in the presence of the stabilizer but the degradation rate was slower than the system without the stabilizer. The stabilization effect was also proved in a Fenton-like reaction where magnetite and hematite were used instead of soluble iron species.

Numerical Simulation of Chemically Reacting Laminar and Thrbulent Flowfields Using Preconditioning Scheme (예조건화 기법을 이용한 층류 및 난류 화학반응 유동장 해석)

  • Kim Gyo-Soon;Choi Yun-Ho;Rhee Byung-Ohk;Song Bong-Ha
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.30 no.4 s.247
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    • pp.320-327
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    • 2006
  • The computations of chemically reacting laminar and turbulent flows are performed using the preconditioned Navier-Stokes solver coupled with turbulent transport and multi-species equations. A low-Reynolds number $k-\varepsilon$ turbulence model proposed by Chien is used. The presence of the turbulent kinetic energy tenn in the momentum equation can materially affect the overall stability of the fluids-turbulence system. Because of this coupling effect, a fully coupled formulation is desirable and this approach is taken in the present study. Choi and Merkle's preconditioning technique is used to overcome the convergence difficulties occurred at low speed flows. The numerical scheme used for the present study is based on the implicit upwind ADI algorithm and is validated through the comparisons of computational and experimental results for laminar methane-air diffusion flame and $ H_2/O_2$ reacting turbulent shear flow. Preconditioning formulation shows better convergence characteristics than that of non-preconditioned system by approximately five times as much.

Simulation Study of Capacitively Coupled Oxygen Plasma with Plasma Chemistry including Detailed Electron Impact Reactions (전자충격반응을 포함하는 플라즈마 화학반응을 고려한 용량결합형 산소플라즈마의 전산모사 연구)

  • Kim, Heon Chang
    • Applied Chemistry for Engineering
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    • v.22 no.6
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    • pp.711-717
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    • 2011
  • Two dimensional simulation results of a capacitively coupled oxygen plasma in a cylindrical reactor geometry are presented. Detailed electron impact reaction rates, which strongly depend on electron energy, are computed from collision cross sections of electrons with $O_2$ and O. Through the coupling of a three moment plasma model with a neutral chemistry/transport model are predicted spatiotemporal distributions of both charged species (electron, $O_2{^+}$, $O^+$, $O_2{^-}$, and $O^-$) and neutral species including ground states ($O_2$ and O) and metastables, known to play important roles in oxygen plasma, such as $O_2(a^1{\Delta}_g)$, $O_2(b^1{{\Sigma}_g}^+)$, $O(^1D)$, and $O(^1S)$. The simulation results clearly verify the existence of a double layer near sheath boundaries in the electronegative plasma.