• Journal of the Korean Electrochemical Society
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• v.8 no.2
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• pp.106-114
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• 2005

This article covers the theoretical ac-impedance models for the analysis of oxygen reduction on the porous cathode electrode f3r solid oxide fuel cell (SOFC). Firstly, ac-impedance models were explained on the basis of the mechanism of oxygen reduction, which were classified into the rate-determining steps; (i) adsorption of oxygen atom on the electrode surface, (ii) diffusion of adsorbed oxygen atom along the electrode surface towards the three-phase (electrode/electrolyte/gas) boundaries, (iii) surface diffusion of adsorbed oxygen atom m ixed with the adsorption reaction of oxygen atom on the electrode surface and (iv) diffusion of oxygen vacancy through the electrode coupled with the charge transfer reaction at the electrode/gas interface. In each section for ac-impedance model, the representative impedance plots and the interpretation of important parameters attributed to the oxygen reduction reaction were explained. Finally, we discussed in detail the applications of the proposed theoretical ac-impedance models to the real electrode of SOFC system.

• Journal of the Korean Society of Safety
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• v.25 no.3
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• pp.22-27
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• 2010

A prediction performance of Fire Dynamics Simulator(FDS) developed by NIST for the diffusion flame structure was validated with experimental results of a laminar slot jet diffusion flame. Two mixture fraction combustion models and two finite chemistry combustion models were used in the FDS simulation for the validation of the jet diffusion flame structure. In order to enhance the prediction performance of flame structure, DNS and radiation model was applied to the simulation. The reaction rates of the finite chemistry combustion models were appropriately adjusted to the diffusion flame. The mixture fraction combustion model predicted the diffusion flame structure reasonably. A 1-step finite chemistry combustion model cannot predict the flame structure well, but the simulation results of a 2-step model were in good agreement with those of experiment except $CO_2$ concentration. It was identified that the 2-step model can be used in the investigation of flame suppression limit with further adjustment of reaction rates

• Transactions of the Korean hydrogen and new energy society
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• v.18 no.3
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• pp.265-274
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• 2007

A study has been conducted to clarify NO emission behavior through preferential diffusion effects of $H_2$ and H in methane-hydrogen diffusion flames. A comparison is made by employing three species diffusion models. Special concerns are focused on what is the deterministic role of the preferential diffusion effects in flame structure and NO emission. The behavior of maximum flame temperatures with three species diffusion models is not explained by scalar dissipation rate but the nature of chemical kinetics. The preferential diffusion of H into reaction zone suppresses the populations of the chain carrier radicals and then flame temperature while that of $H_2$ produces the increase of flame temperature. These preferential diffusion effects of $H_2$ and H are also discussed about NO emissions through the three species diffusion models.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.31 no.12
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• pp.1009-1016
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• 2007

Numerical study on preferential diffusion effects in flame structure in $CH_4-H_2$ diffusion flames is conducted with detailed chemistry. Comparison of flame structures with mixture-averaged species diffusion and suppression of the diffusivities of $H_2$ and H was made. Discernible differences in flame structures are displayed with three species diffusion models. The behaviors of maximum flame temperatures with those species diffusion models are not explained by scalar dissipation rate but by the nature of chemical kinetics. It is seen that the modifcation of flame structure is mainly due to the preferential diffusion of H2 and thereby the nature of chemical kinetics. It is also found that the behaviors of major species with the three species diffusion models are addressed to the nature of chemical kinetics, and this is evident by examining importantly contributing reaction steps to the production and destruction of those chemical species.

• International Journal of Concrete Structures and Materials
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• v.6 no.3
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• pp.155-163
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• 2012

In order to predict the neutralization of concrete which is the reaction of carbonation dioxide from the outside and cement hydration product, such as calcium hydroxide and C-S-H, it was studied the numerical analysis method considering change of the pore structure and relative humidity during the neutralization reaction. Diffusion-reaction neutralization model was developed to predict the neutralization depth of concrete with coating finishing material. In order to build numerical analysis models considering outdoor environment and finishing materials, the adaption of proposed model was shown the results of existing outdoor exposure test results and accelerated carbonation test.

• Nuclear Engineering and Technology
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• v.53 no.3
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• pp.833-841
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• 2021

During the postulated severe accident of nuclear reactor, eutectic reaction leads to low-temperature melting of fuel cladding and early failure of core structure. In order to model eutectic melting with the moving particle semi-implicit (MPS) method, the eutectic reaction model is developed to simulate the eutectic reaction phenomenon. The coupling of mass diffusion and phase diagram is applied to calculate the eutectic reaction with the uniform temperature. A heat transfer formula is proposed based on the phase diagram to handle the heat release or absorption during the process of eutectic reaction, and it can combine with mass diffusion and phase diagram to describe the eutectic reaction with temperature variation. The heat transfer formula is verified by the one-dimensional melting simulations and the predicted interface position agrees well with the theoretical solution. In order to verify the eutectic reaction models, the eutectic reaction of uranium and iron in two semi-infinite domains is simulated, and the profile of solid thickness decrease over time follows the parabolic law. The modified MPS method is applied to calculate Transient Reactor Test Facility (TREAT) experiment, the penetration rate in the simulations are agreeable with the experiment results. In addition, a hypothetical case based on the TREAT experiment is also conducted to validate the eutectic reaction with temperature variation, the results present continuity with the simulations of TREAT experiment. Thus the improved method is proved to be capable of simulating the eutectic reaction in the severe accident.

• Journal of Welding and Joining
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• v.32 no.5
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• pp.13-20
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• 2014

A brief overview is given of the corrosion and hydrogen diffusion behaviors of high strength pipe steel in sour environment. Firstly, hydrogen adsorption and diffusion mechanism of the pipe steel is introduced. Secondly, the effect of iron sulfide film precipitated as a result of the corrosion reaction on the steel surface on hydrogen reduction reaction and subsequent hydrogen permeation through the steel is discussed. Moreover, the hydrogen diffusion behavior of the pipe steel under tensile stress in both elastic and plastic ranges is reviewed based on a number of experimental permeation data and theoretical models describing the hydrogen diffusion and trapping phenomena in the steel. It is hoped that this paper will result in significant academic contributions in the field of corrosion and hydrogen related problems of the pipe steel used in sour environment.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.1020-1028
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• 2012

This work compares various models for geminate reversible diffusion influenced reactions. The commonly utilized contact reactivity model (an extension of the Collins-Kimball radiation boundary condition) is augmented here by a volume reactivity model, which extends the celebrated Feynman-Kac equation for irreversible depletion within a reaction sphere. We obtain the exact analytic solution in Laplace space for an initially bound pair, which can dissociate, diffuse or undergo "sticky" recombination. We show that the same expression for the binding probability holds also for "mixed" reaction products. Two different derivations are pursued, yielding seemingly different expressions, which nevertheless coincide numerically. These binding probabilities and their Laplace transforms are compared graphically with those from the contact reactivity model and a previously suggested coarse grained approximation. Mathematically, all these Laplace transforms conform to a single generic equation, in which different reactionless Green's functions, g(s), are incorporated. In most of parameter space the sensitivity to g(s) is not large, so that the binding probabilities for the volume and contact reactivity models are rather similar.

• Journal of Advanced Marine Engineering and Technology
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• v.32 no.5
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• pp.737-746
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• 2008

Numerical study is conducted to grasp preferential diffusion effects on flame characteristics in $H_2/CO$ syn-gas diffusion flames diluted with $CO_2$. The models of Sun et al. and David et al., which have been well known to be best-fitted for $H_2/CO$ synthetic mixture flames. are evaluated for $H_2/CO$ synthetic mixture flames diluted with $CO_2$. Comparison of flame structures with mixture-averaged species diffusion and suppression of the diffusivities of $H_2$ and H was made. The behaviors of maximum flame temperatures with those species diffusion models are not explained by scalar dissipation rate but by the nature of chemical kinetics. Importantly-contributing reaction steps to heat release rate are also compared for the three species diffusion models in $H_2/CO/CO_2$ flames with and without $CO_2$ dilution.

• Computers and Concrete
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• v.16 no.6
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• pp.847-864
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• 2015

This study aimed to develop models of sulfate diffusion and ettringite content profile in cement paste for the predication of the damage behavior in cement paste subject to external sulfate. In the models, multiphase reaction equilibrium between ions in pore solution and solid calcium aluminates phases and the microstructure changes in different positions of cement paste were taken into account. The distributions of expansive volume strain and expansion stress in cement paste were calculated based on the ettringite content profile model. In addition, more sulfate diffusion tests and SEM analyses were determined to verify the reliability and veracity of the models. As the results shown, there was a good correlation between the numerical simulation results and experimental evidences. The results indicated that the water to cement ratio (w/c) had a significant influence on the diffusion of sulfate ions, ettringite concentration profile and expansion properties in cement paste specimens. The cracking points caused by ettringite growth in cement paste specimens were predicted through numerical methods. According to the simulation results, the fracture of cement paste would be accelerated when the specimens were prepared with higher w/c or when they were exposed to sulfate solution with higher concentration.