• Journal of the Korean Electrochemical Society
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• v.5 no.2
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• pp.86-92
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• 2002

The present article is concerned with the application of the kinetic Monte Carlo simulation to electrochemistry of lithium intercalation from the kinetic view point. Basic concepts of the kinetic Monte Carlo method and the transition state theory were first introduced, and then the simulation procedures were explained to evaluate diffusion process. Finally the kinetic Monte Carlo method based upon the transition state theory was employed under the cell-impedance-controlled constraint to analyse the current transient and the linear sweep voltammogram for the $LiMn_2O_4$ electrode, one of the intercalation compounds. From the results, it was found that the kinetic Monte Carlo method is much relevant to investigate kinetics of the lithium intercalation in the field of electrochemistry.

• Journal of the Korean Vacuum Society
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• v.9 no.4
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• pp.419-427
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• 2000

We propose a method to obtain various diffusion parameters of deposited atom. By comparing the results of kinetic Mote Carlo (KMC) simulation with the results of STM, HRLEED experiments, we can determine diffusion parameters including the hopping barrier of an adatom on terrace, detachment barrier at the step edge, and well known Schwoebel barrier. It is found that the branch-width, island density, and roughness were suitable atomic scale structure parameters for comparing simulation calculation with experimental results, and especially, it is found that the parameter branch-width which is not widely used in thin film growth study, plays an important role in determining diffusion barriers.

• 한국연소학회:학술대회논문집
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• 2015.12a
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• pp.219-222
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• 2015

The kinetic analysis of energetic materials using Differential Scanning Calorimetry (DSC) is proposed. Friedman Isoconversional method is applied to DSC experiment data and AKTS software is used for analysis. The frequency factor and activation energy are extracted as a function of product mass fraction. The extracted kinetic scheme does not assume multiple chemical steps to describe the response of energetic materials; instead, multiple set of Arrhenius factors are used in describing a single global step. The proposed kinetic scheme has considerable advantage over the standard method based on One-Dimenaionl Time to Explosion (ODTX). Reaction rate and product mass fraction simulation are conducted to validate extracted kinetic scheme. Also a slow cook-off simulation is implemented for validating the applicability of the extracted kinetics scheme to a practical thermal experiment.

• Proceedings of the Korean Society of Agricultural Engineers Conference
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• 1999.10c
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• pp.734-738
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• 1999

This study is to modify the EUTRO5(sub-model of WASP5) for applying river water quality simulation. Because previous version of EUTRO5 has unique kinetic constant for all segement on each constituent, EUTRO5 is not adequate for some river simulation. As this version have each kinetic constant for all segment on each constituent, it will be suitable for model application with rapid changing geometry and kinetic purification of upstream river.

• Journal of Welding and Joining
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• v.26 no.6
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• pp.74-80
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• 2008

A finite element modeling approach has been described for the simulation and analysis of the micron-scaled solid particle impact behavior in kinetic spraying process, using an explicit code (ABAQUS 6.7-2). High-strain-rate plastic deformation and interface bonding features of the copper, nickel, aluminum, and titanium were investigated via FEM in conjunction with the Johnson-Cook plasticity model. Different aspects of adiabatic shear instabilities of the materials were characterized as a concept of thermal boost-up zone (TBZ), and also discussed based upon energy balance concept with respect to relative recovery energy (RRE) for the purpose of optimizing the bonding process.

• KIEAE Journal
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• v.15 no.3
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• pp.15-20
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• 2015

Purpose: Suggesting a working prototype of a kinetic light shelf unit and revealing its energy efficiency by a series of building performance simulations were presented. Recently, kinetic building envelope has been an emerging technology as an innovative way to control exterior building environment, but products from many researches about the facade could not been reached to the industrialization so far. That is because its initial installation, operation and maintenance costs are still too high to use for the practical field, although buildings using kinetic envelopes could decrease their energy consumption significantly. This narrow point of view needs to be reconsidered, since buildings require great amount of energies to run their functions through the whole life and using better building components can lead to achieve much more benefits in aspects of the lifecycle cost (LCC). Method: A series of certified simulation tools like Ecotect and Green Building Studio that are normally used for researches and developments in the field of architecture were utilized. Result: Based on simulation analyses, the result of the study has showed that the proposed system definitely has adaptability to the professions and positively shows practicability as advanced integrative building envelopes with renewable energy association.

• Transactions of the Korean Society of Automotive Engineers
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• v.7 no.7
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• pp.1-14
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• 1999

In the present study, the flame factor which primarily influence the simulation accuracy of the combustion process in a gasoline engine was modeled as a nonlinear function of turbulent intensity to laminar flame speed ratio. Multi-length-scale production rate model for turbulent kinetic energy equation was introduced to consider the different length scales of the swirling and tumbling motions in cylinder on the production rte of turbulent kinetic energy. By7 introducing the multi-length-scale production rate model for the turbulent kinetic energy equation, the predictions of turbulent burning velocity , cylinder pressure, mass burning rate and engine performance of a gasoline engine can much be improved.

• Journal of Korean Society of Water and Wastewater
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• v.13 no.3
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• pp.42-55
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• 1999

A mathematical model for biological nutrient removal in a sequencing batch reactor process, which is based on the IAWQ Activated Sludge Model No. 2 with a few modifications, has been developed. Twenty water quality components and twenty three kinetic equations are incorporated in the model. The model is structured in the matrix form based on the law of mass conservation using stoichiometry and kinetic equations. Stoichiometric coefficients and kinetic parameters included in the model equations are chosen from the literature. A multistep predictor-corrector algorithm of variable step-size is adopted for solving the vector nonlinear ordinary differential equations. The simulation for experimental results is conducted to evaluate the validity of the model and to calibrate coefficients and parameters. The simulation using the model well represents the experimental results from laboratory. The mathematical model developed in this study may be utilized for the design and operation of a sequencing batch reactor process under the steady and unsteady-state at various environmental conditions.

• Journal of the Semiconductor & Display Technology
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• v.22 no.1
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• pp.118-123
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• 2023

Partially magnetized capacitively coupled plasma (CCP) sources are investigated using a two-dimensional kinetic simulation code named EDIPIC-2D. A converging numerical solution was obtained for CCP with a 60 MHz power source, while properly capturing the dynamics of electrons and power absorption over a single RF period. The effects of magnetic fields with different orientations were evaluated. Axial magnetic fields caused changes in the spatial distribution of plasma density, affecting the loss channel. Transverse magnetic fields enhanced stochastic heating near the powered electrode, leading to an increase in plasma density while the significant E×B drift loss compensated for this rise.

• Journal of the Korean Institute of Gas
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• v.27 no.1
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• pp.78-85
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• 2023

Fixed-bed reactor Computational Fluid Dynamics (CFD) simulation of methanol steam reforming reaction was performed using the intrinsic kinetic data of the copper-impregnated hydrotalcite catalyst. The activation energy of the copper hydrotalcite catalyst obtained from the previous study results was 97.4 kJ/mol, and the pre-exponential was 5.904 × 10¹⁰. Process simulation was performed using the calculated values and showed a similar tendency to the experimental results. And the conversion rate according to the change of the reaction temperature (200 - 450 ℃) and the molar ratio of methanol and water was observed using the intrinsic kinetic data. In addition, mass and heat transfer phenomena analysis of a commercial reactor (I.D. 0.05 - 0.1m, Length 1m) was predicted through axial 2D Symmetry simulation using the power law model of the above kinetic constants.