• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.30 no.1
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• pp.114-123
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• 2002

A supersonic rocket plum flowfield of kerosene/liquid-oxygen based propulsion system has been analysed using the Reynolds-averaged Navier-Stokes equations coupled with a 9-species 14-reaction finite-chemistry model. The result were compared with chemically frozen flow solution to investigate the effect of finite-rate chemistry on the plume flowfield. The computations were performed using a commercial CFD software, FLUENT 5. The finite-rate chemistry solution exhibited higher temperature caused by the reactions within the nozzle. All the chemical reactions within the plum were dominated only in the shear layer and behind the barrel shock reflection region where the temperatures are high and the effect of finite-rate chemical reactions on the flowfield was found to be insignificant. However, the present plume computation including the finite-rate chemical reaction within the plume has revealed major reactions occurring in the plum and their reaction mechanisms.

• Journal of Electrochemical Science and Technology
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• v.6 no.4
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• pp.146-151
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• 2015

Here I report an electrochemical simulation work that compares voltammetric current and resistance of a complex electrochemical reaction over a potential scan. For this work, the finite element method is employed which are frequently used for voltammetry but rarely for impedance spectroscopy. Specifically, this method is used for simulation of a complex reaction where a heterogeneous faradaic reaction is followed by a homogeneous chemical reaction. By tracing the current and its polarization resistance, I learn that their relationship can be explained in terms of rate constants of charge transfer and chemical change. An unexpected observation is that even though the resistance is increased by the rate of the following chemical reaction, the current can be increased due to the potential shift of the resistance made by the proceeding faradaic reaction. This report envisions a possibility of the FEM-based resistance simulation to be applied to understand a complex electrochemical reaction. Until now, resistance simulations are mostly based on equivalent circuits or complete mathematical equations and have limitations to find proper models. However, this method is based on the first-principles, and is expected to be complementary to the other simulation methods.

• Bulletin of the Korean Chemical Society
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• v.12 no.6
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• pp.692-698
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• 1991

The reaction path Smoluchowski equation approach developed in a recent work to calculate the rate constant for a diffusive multidimensional barrier crossing process is extended to incorporate the configuration-dependent diffusion matrix. The resulting formalism is then applied to the investigation of stilbene photoisomerization dynamics. Adapting a model two-dimensional potential and a model diffusion matrix proposed by Agmon and Kosloff [J. Phys. Chem.,91 (1987) 1988], we derive an eigenvalue equlation for the relaxation rate constant of the stilbene photoisomerization. This eigenvalue equation is solved numerically by using the finite element method. The advantages and limitations of the present method are discussed.

• Journal of the Korean Society of Propulsion Engineers
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• v.6 no.1
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• pp.12-20
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• 2002

An integrated analysis of kerosine/LOX based KSR-III rocket body/plume flowfield has been performed. The analysis has been executed employing three kind of gas thermo-chemical models including calorically perfect gas, multiple species chemically reacting gas, and chemically frozen gas models and their effect on rocket flowfield has been accessed to provide the most appropriate gas thermo-chemical model which meets a specific purpose of performing rocket body and plume analysis. The finite-rate chemically reacting flow solution exhibited higher temperature throughout the flowfield than other gas models due to the increased combustion gas temperature caused by the chemical reactions within the nozzle. All the reactions were dominated only in the shear layer and behind the barrel shock reflection region where the gas temperature is high and the effect of finite-rate chemical reactions on the flowfield was found to be minor. However, the present plume computation including finite-rate chemical reactions revealed major reactions occurring in the plume and their reaction mechanisms and as well.

• Journal of the Korean Society of Combustion
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• v.6 no.2
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• pp.15-22
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• 2001

A pressure-based, unstructured finite volume method has been applied to couple the chemical kinetics and fluid dynamics and to capture effectively and accurately the steep gradient flame field. The pressure-velocity coupling is handled by two methodologies including the pressure-correction algorithm and the projection scheme. A stiff, operator-split projection scheme for the detailed nonequilibrium chemistry has been employed to treat the stiff reaction source terms. The conservative form of the governing equations are integrated over a cell-centered control volume with collocated storage for all transport variables. Computations using detailed chemistry and variable transport properties were performed for two laminar reacting flows: a counterflow hydrogen-air diffusion flame and a lifted methane-air triple flame. Numerical results favorably agree with measurements in terms of the detailed flame structure.

• Proceedings of the KSME Conference
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• 2003.04a
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• pp.1100-1103
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• 2003

One of the good ways to raise the rate of the electrochemical reaction is to broaden the effective surface area of the electrode by developing cylindrical nano-pores on the surfaces. The numerous pores of several nanometer in diameter can be used to enhance a specific faradaic reaction so that the nano-porous structure attract keen attention in terms of implication of new bio/chemical sensors, in which no chemical modification is involved. Amperometric glucose sensor is a representative example that needs the selective enhancement of glucose oxidation over the current due to physiological interferents such as ascorbic acid. The present paper reports how the ascorbic acid and glucose diffuse around the nano-porous surface by simulation study, for which 2D-FDM (Finite Difference Method) was adopted. The results of the simulation not only consist with those from electrochemical experiments but also reveal valuable potential for more advanced application of the nano-porous electrode.

• 한국전산유체공학회:학술대회논문집
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• 1995.10a
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• pp.76-81
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• 1995

A numerical procedure for the analysis of transient behavior in a monolithic catalytic converter is presented. The thermal behavior of a monolithic catalytic converter is fully coupled with mass transfer and exothermic reaction between exhaust gases and the catalytic converter. In the present study, all these processes are solved simultaneously. The heat transfer process is approximated by combinging one dimensional convection and conduction and the chemical reaction is also simply modelled by using the concepts of reaction rate and reaction heat. All the partial diffenrential equations for the heat transfer, mass transfer and chemical reactions are appximated by using finite volume method. Resulting algebraic equations are solved using the Newton's method. To see the workability of present numerical method, two well known problems, say step increase and step decrease in the gas inlet temperature, have been calculated. Comparion of present solutions with previous solutions shows a good agreement.

• Journal of the Korean Society for Precision Engineering
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• v.19 no.8
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• pp.92-99
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• 2002

This work investigated the optimal condition for an uniform deposition growth rate in the vertical cylindric CVD chamber. Heat transfer, surface chemical reaction and mass diffusion in the flow field of CVD chamber h,id been computed using Fluent v5.3 code. A SIMPLE based finite Volume Method (FVM) was adopted to solve the fully elliptic equations for momentum, temperature and concentration of a chemical species. The numerical analysis results show good agreements with the measurements obtained by N. Yoshikawa. The results obtained by the numerical analysis showed that the film growth rate in the center of a susceptor is increasing, as the inner flow approaches to the forced convection. To the contrast, as it approaches to the natural convection, that in the outside of a susceptor is increasing. As the Reynolds number increases, the uniformity may not hold due to the larger temperature gradient at a susceptor surface. Therefore, when the temperature gradient on the surface of a susceptor is zero, the film growth rate becomes uniform on most surface.

• Proceedings of the KOSOMBE Conference
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• v.1998 no.11
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• pp.237-238
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• 1998

The kinetics of sulfite oxidation must be fast and the concentration of sulfite must be low to emulate oxygen uptake by blood. The kinetics were studied yielding a first order rate constant in sulfile, zero order in oxygen. Limitations of the technique were evaluated using the experimental rate constant and an adaptation of Lightfoot's approximation, while the reaction of hemoglobin is reversible and essentially instantaneous, that for sulfite is irreversible and finite. Thus if the approach to saturations not monotonic or if the mass transfer resistance is significantly lowered, e. g. when blood film thicknesses are thinner than a few hundred microns, deviations may occur.

• Journal of the Korean Electrochemical Society
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• v.14 no.3
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• pp.138-144
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• 2011

The transport phenomena of electron and ion around the electrode have been analyzed, herein the computational program to simulate the electrochemical signal of cyclic voltammetry has been implemented. For the dominant mass-transfer system, the governing equation and its boundary conditions are confined to the semi-infinite diffusion model and the reversible reaction at the electrode. In order to obtain the numerical solutions of cyclic voltammetry, MATLAB was used for the explicit finite difference method. Experimental results from the cyclic voltammetry of electrochemical system(10 mM $K_3Fe(CN)_6$ and 0.1M KCl) upon the ITO glass substrate were compared with the numerical solutions. Present program explains the experimental results fairly well, where they approached the simulated ones closely with deceasing the scan rate. Furthermore, the effects of electrode area, electrochemical reaction constants and transfering coefficients in the cyclic voltammetry were discussed quantitatively.