• Title/Summary/Keyword: Reaction-diffusion models

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Mass Transfer Phenomena in Polycondensation Reaction of Poly(ethylene naphthalate) (폴리(에틸렌 나프탈레이트)의 축중합 반응에서 물질 전달 현상)

  • 이성진;정성일
    • Polymer(Korea)
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    • v.28 no.2
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    • pp.121-127
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    • 2004
  • The instantaneous removal of ethylene glycol is very important fur obtaining high molecular weight polymer because of the reversibility of the polycondensation reaction of poly(ethylene naphthalate)(PEN). In this study, we investigated the mass transfer phenomena in the thin film of PEN oligomer where the polycondensation reaction took place at 280$^{\circ}C$ and under 0.1mmHg. In case of less than 0.025cm film thickness the mass transfer resistance through the thin film of the polymer melt was not so high that the overall reaction rate was governed only by the polycondenstion reaction. Both the mass transfer model and the diffusion model predicted the experimenatal data well but the diffusion model showed faster reaction rate in the low molecular weight range than the mass transfer model . It was estimated from the two models that the diffusivity was 4.7${\times}$10$\^$-6/$\textrm{cm}^2$/sec and the mass transfer coefficient was 1.4 ${\times}$10$\^$-4/cm/sec both of which were smaller than In case of poly(ethylene terephthalate).

A Study on the Migration Characteristics of Cs-137 in a Packed Column (충전층에서의 세슘-137의 이동특성에 관한 연구)

  • Lee, Jae-Owan;Cho, Won-Jin;Han, Kyung-Won;Park, Hun-Hwee
    • Nuclear Engineering and Technology
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    • v.22 no.1
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    • pp.20-28
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    • 1990
  • In this study the migration experiment using packed column with crushed tuff was conducted as a basic research to develop migration model of radionuclides through geologic media. The main emphasis was put on evaluating the validity of migration models. For this, two models were introduced: one is the model which is based on the assumption of instantaneous equilibrium reaction and the other the model based on kinetic process such as intraparticle diffusion. The coefficient of hydrodynamic dispersion in packed column was determined using iodine as nonsorbing tracer. The hydrodynamic dispersion coefficient, D$_{L}$ was shown to be 0.11$\times$10$^{-2}$ $\textrm{cm}^2$/min under the condition of the column porosity of 0.483 and the average water velocity of 0.915$\times$10$^{-2}$ cm/min. The distribution coefficient, Kd of Cs-137 on crushed tuff was 11.3 cc/g at the concentration of 2$\times$10$^{-6}$ M and the temperature of 2$0^{\circ}C$. The breakthrough curve of Cs-137 through packed column was shown to have an asymmetric curve in which long trailing tail appears at the end part of the curve. The results obtained from the comparison of introduced models with experimental data indicated that the mass transfer model with intraparticle diffusion as rate-controlling step simulated the behaviors of Cs-137 migration more adequately, when compared with the bulk reaction model in which the assumption of instantaneous equilibrium reaction was maded. Consequently, the intraparticle diffusion was found to be an important factor in the migration of Cs-137 through packed column.n.

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Development of a Mechanistic Model for Hydrogen Generation in Fuel-Coolant Interactions

  • Lee, Byung-Chul;Park, Goon-Cherl;Chung, Chang-Hyun
    • Nuclear Engineering and Technology
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    • v.29 no.2
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    • pp.99-109
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    • 1997
  • A dynamic model for hydrogen generation by Fuel-Coolant Interactions(FCI) is developed with separate models for each FCI stage, coarse mixing and stratification. The model includes the physical concept of FCI, semi-empirical heat and mass transfer correlation and the concentration diffusion equation with the general non-zero boundary condition. The calculated amount of hydrogen, which is mainly generated in stratification, is compared with the FITS experiments. The model developed in this study shows a good agreement within a range of 10 % fuel oxidation rate and predicts the controlled mechanism of the chemical reaction very well. And this model predicts more accurately than the previous works. It is shown from the sensitivity study that the higher initial temperature of fuel particle is, the larger the reaction rate is. Up to 2700 K of temperature of the particle, the reaction rate increases rapid, which can lead to metal ignition.

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Combustion Characteristics and Soot Formation in a Jet Diffusion Flame (제트 확산화염의 연소특성과 매연생성에 관한 연구)

  • 이교우;백승욱
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.18 no.10
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    • pp.2712-2723
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    • 1994
  • Numerical simulation of an axisymmetric ethylene-air jet diffusion flame has been carried out in order to investigate flame dynamics and soot formation. The model solves the time-dependent Navier-Stokes equations and includes models for soot formation, chemical reaction, molecular diffusion, thermal conduction, and radiation. Numerically FCT(Flux Corrected Transport) and DOM(Discrete Ordinate Method) methos are used for convection and radiation trasport respectively. Simulation was conducted for a 5 cm/sec fuel jet flowing into a coflowing air stream. The maximum flame temperature was found to be approximately 2100 K, and was located at an axial position of approximately 5 cm from the base of the flame. The maximum soot volume fraction was about $7{\times}10^{-7}$, and was located within the high temperature region where the fuel mole fraction ranges from 0.01 to 0.1. The buoyancy-driven low-frequency(12~13 Hz) structures convected along the outer region of the flame were captured. In case without radiation trasport, the maximum temperature was higher by 150 K than in case with radiation. Also the maximum soot volume fraction reached about $8{\times}10^{-6}$. As the the hydrocarbon fuel forms many soot particles, the radiation transport becomes to play a more important role.

A multiscale numerical simulation approach for chloride diffusion and rebar corrosion with compensation model

  • Tu, Xi;Li, Zhengliang;Chen, Airong;Pan, Zichao
    • Computers and Concrete
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    • v.21 no.4
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    • pp.471-484
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    • 2018
  • Refined analysis depicting mass transportation and physicochemical reaction and reasonable computing load with acceptable DOFs are the two major challenges of numerical simulation for concrete durability. Mesoscopic numerical simulation for chloride diffusion considering binder, aggregate and interfacial transition zone is unable to be expended to the full structure due to huge number of DOFs. In this paper, a multiscale approach of combining both mesoscopic model including full-graded aggregate and equivalent macroscopic model was introduced. An equivalent conversion of chloride content at the Interfacial Transition Layer (ITL) connecting both models was considered. Feasibility and relative error were discussed by analytical deduction and numerical simulation. Case study clearly showed that larger analysis model in multiscale model expanded the diffusion space of chloride ion and decreased chloride content in front of rebar. Difference for single-scale simulation and multiscale approach was observed. Finally, this paper addressed some worth-noting conclusions about the chloride distribution and rebar corrosion regarding the configuration of rebar placement, rebar diameter, concrete cover and exposure period.

The Predictions on the Structure of Tubulent Hydrogen-Air Diffusion Flame (수소 - 공기 난류확산화염 구조예측에 관한 연구)

  • 신현동
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.7 no.3
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    • pp.328-334
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    • 1983
  • The turbulent hydrogen-air diffussion flame was studied experimentally and theoretically. Laser Doppler anemometer was used to measure the velocity field in the flame. Two mathematical models for the combustion reaction term, which are infinite rate model and finite rate to be derived eddy break-up model, were tested by comparing predictions with experimental data for coaxial turbulent diffusion flame. The agreement between the predictions and the data is, on the whole, very good in the case of employing the finite rate model rather than the infinite rate model. But, it was shown that the finite rate model was practically applicable to the predictions of the turbulent diffussion flame structure.

A novel analytical approach for advection diffusion equation for radionuclide release from an area source

  • Esmail, S.;Agrawal, P.;Aly, Shaban
    • Nuclear Engineering and Technology
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    • v.52 no.4
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    • pp.819-826
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    • 2020
  • The method of the Laplace transform has been used to obtain an analytical solution of the three-dimensional steady state advection diffusion equation for the airborne radionuclide release from any nuclear installation such as the power reactor in an area source. The present treatment takes into account the removal of the pollutants through the nuclear reaction. We assume that the pollutants are emitted as a constant rate from the area source. This physical consideration is achieved by assuming that the vertical eddy diffusivity coefficient should be a constant. The prevailing wind speed is a constant in 𝑥- direction and a linear function of the vertical height z. The present model calculations are compared with the other models and the available data of the atmospheric dispersion experiments that were carried out in the nuclear power plant of Angra dos Reis (Brazil). The results show that the present treatment performs well as the analytical dispersion model and there is a good agreement between the values computed by our model and the observed data.

Analytical Investigation of Water Transport

  • Um, Suk-Kee;Lee, Kwan-Soo;Jung, Hye-Mi
    • Proceedings of the KSME Conference
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    • 2007.05b
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    • pp.2250-2254
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    • 2007
  • Comprehensive analytical models focusing on the anode water loss, the cathode flooding, water equilibrium, and water management strategy are developed for polymer electrolyte fuel cells. Analytical solutions presented in this study are compared with two-dimensional computational results and shows a good agreement in predicting those critical characteristics of water. General features of water concentration profile as a function of membrane thickness and current density are presented to illustrate the net effect of the back-diffusion of water from the cathode to anode and the water production by the cathode catalytic reaction on water transport over a fuel cell domain. As one of practical applications, the required humidity level of feed streams for full saturation at the channel outlets are investigated as a function of the physical operating condition. These analytical models can provide good understanding on the characteristic water

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Combustion Modeling for Stratified Charge (성층화 혼합기의 연소 모델링)

  • 김용태;배상수;민경덕
    • Transactions of the Korean Society of Automotive Engineers
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    • v.9 no.4
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    • pp.50-55
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    • 2001
  • To simulate the combustion process under stratified charged conditions, like GDI engines, the new combustion model is proposed, which is based on Welter's FAE model and Peters' PDF model for considering primary reactions. In addition to these models, the new laminar burning velocity correlation and diffusion flame model are also included in the proposed model. The former can be applicable to much wider range of equivalence ratio, pressure and temperature than the others, such as Keck's and Guilder's models, and the latter has been derived from water-gas shift reaction and hydrogen oxidation, by which the secondary reactions can be considered after primary reactions. 3-D computation has been performed by using STAR-CD v3.05 in the simple cylindrical geometry under stratified charged condition. Judging from the calculated results, the present model proves to be reasonable to simulate the characteristics of flame propagation and concentrations of products in burned regions.

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Applicability of Theoretical Adsorption Models for Studies on Adsorption Properties of Adsorbents(II) (흡착제의 흡착특성 규명을 위한 흡착모델의 적용성 평가(II)-흡착속도론을 중심으로)

  • Na, Choon-Ki;Park, Hyun-Ju
    • Journal of Korean Society of Environmental Engineers
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    • v.33 no.11
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    • pp.804-811
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    • 2011
  • The aim of this study is to evaluate the applicability of adsorption models for understanding adsorption properties of adsorbents. For this study, the adsorption charateristics of $NO_3^-$ by commercial anion exchange resin, PA-308, were investigated in bach process. The adsorption kinetic data for $NO_3^-$ by anion exchange resin showed two stage process comprising a fast initial adsorption process and a slower second adsorption process. Both the pseudo-first-order kinetic model and the pseudo-second-order kinetic model could not be used to predict the adsorption kinetics of $NO_3^-$ onto anion exchange resin for the entire sorption period. Only the fast initial portion ($t{\leq}20min$) of adsorption kinetics was found to follow pseudo-first-order kinetic model and controlled mainly by external diffusion that is very fast and high, whereas, the slower second portion (t > 20 min) of adsorption kinetics seems to be controlled by a second-order chemical reaction and by intraparticle diffusion.