• KEPCO Journal on Electric Power and Energy
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• v.2 no.2
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• pp.187-192
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• 2016

Chemical utilization of $CO_2$ is recognized as the technology for the reduction of greenhouse gas as well as the use of carbon to resources. Although various chemicals are commercially produced, the innovative development is still necessary to utilize large quantity of $CO_2$. In this report, the current status of technology to preserve -CO-O- linkage into the molecules was introduced, particularly for the synthesis of dimethyl carbonate (DMC) and polyols, which are raw materials of polycarbonate and polyurethane, respectively. RIST developed the novel process for the DMC production via urea methanolysis and the new catalytic system for polyol synthesis. Because of high contents of $CO_2$ in both chemicals, it is expected that they are able to contribute for the reduction of greenhouse gas.

• Journal of the Institute of Electronics Engineers of Korea SD
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• v.41 no.6
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• pp.25-31
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• 2004

In this paper, we introduce kinetic Monte Carlo (kMC) methods for simulating diffusion process in nano-scale device fabrication. At first, we review kMC theory and backgrounds and give a simple point defect diffusion process modeling in thermal annealing after ion (electron) implantation into Si crystalline substrate to help understand kinetic Monte Carlo methods. kMC is a kind of Monte Carlo but can simulate time evolution of diffusion process through Poisson probabilistic process. In kMC diffusion process, instead of. solving differential reaction-diffusion equations via conventional finite difference or element methods, it is based on a series of chemical reaction (between atoms and/or defects) or diffusion events according to event rates of all possible events. Every event has its own event rate and time evolution of semiconductor diffusion process is directly simulated. Those event rates can be derived either directly from molecular dynamics (MD) or first-principles (ab-initio) calculations, or from experimental data.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.37 no.6
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• pp.739-745
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• 2013

In this study, we tried to define the erosion-corrosion behavior together with the resulting effects on a pipe that is a part of a feed water circulation system according to the pipe size and hot feed water environment. An erosioncorrosion analysis was performed through the Hayduk and Minhas model based on the chemical reaction between iron and oxygen, an essential corrosive factor. The erosion-corrosion rate against the pipe diameter and feed water temperature was then evaluated by means of finite element analysis using ABAQUS. As shown in the results, the feed water temperature was the main factor influencing the erosion-corrosion rate; in particular, it was expected that the thickness of 316 stainless steel would decrease by $2.59{\mu}m$ every year in a hot water environment at $290^{\circ}C$.

• 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.

• Transactions of the Korean Society of Mechanical Engineers
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• v.14 no.1
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• pp.145-156
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• 1990

In this study, thermophysical properties of the engineering ceramic materials such as $Al_{2}$O$_{3}$, Si$_{3}$N$_{4}$ and SiC were measured b y a single rectangular pulse heating method. The values of thermal diffusivities, specific heats, and thermal conductivities were measured as a function of temperature ranging form room temperature to 1300K. The measured thermal properties of one group of ceramic material were compared with those of other group and discussed in detail in connection with the chemical composition. Thus, some criteria for thermal design with the engineering ceramic materials were proposed.

• Polymer(Korea)
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• v.34 no.6
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• pp.547-552
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• 2010

Biodegradable polymers have gained enormous attentions in the pharmaceutical and biomedical applications, especially in drug delivery. In this work, we report the synthesis and characteristics of high molecular weight polyoxalate with ~75000 Da. Hydrolytic degradation kinetics and degradation products were characterized by nuclear magnetic resonance and gel permeation chromatography. Polyoxalate is a semicrystalline and thermally stable polymer with a glass transition temperature of ${\sim}35^{\circ}C$, which is suitable for drug delivery applications. The hydrophobic nature of polyoxalate allows it to be formulated into nanoparticles and encapsulate drugs using a conventional oil-in-water emulsion/solvent displacement method. Polyoxalate nanoparticles also exhibited excellent cytotoxicity profiles. It can be suggested that polyoxalate has great potential for numerous biomedical and pharmaceutical applications.

• Journal of the Korean Chemical Society
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• v.37 no.1
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• pp.62-67
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• 1993

The microscopic origin of nonlinear optical properties of quinoline derivatives have been investigated theoretically using MOPAC-AM1 method. In order to prepare promising nonlinear optical active polymers of polyquinoline derivatives, the optimized positions of strong electron donor and electron acceptor are determined in the heterocyclic ring for the energetically favorable structures. For each compound, the effect of the substituted positions on the microscopic nonlinear coefficients were investigated. Polyquinoline was already evaluated to have outstanding physical and mechanical properties so that its monomeric analogues were designed and synthesized for developing new second and third order nonlinear optical main chain polymers. Using the MOPAC-AM1 method, properties calculated include the intrinsic ground-state dipole moments, the polarizabilities, first and second hyperpolarizabilities under the condition of finite-field $(\omega$ = 0).

• Journal of Energy Engineering
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• v.26 no.2
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• pp.1-11
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• 2017

While they are becoming more viable, synthetic natural gas (SNG) plants, with their high temperatures and pressures, are still heavily dependent on advancements in the state-of-the-art technologies. However, most of the current work in the literature is focused on optimizing chemical processes and process variables, with little work being done on relevant mechanical damage and maintenance engineering. In this study, a combination of pipe system stress analysis and detailed local stress analysis was implemented to prioritize the inspection locations for main pipes of SNG plant in accordance to ASME B31.3. A pipe system stress analysis was conducted for pre-selecting critical locations by considering design condition and actual operating conditions such as heat-up and cool-down. Identified critical locations were further analyzed using a finite element method to locate specific high-stress points. Resultant stress values met ASME B31.3 code standards for the gasification reactor and lower transition piece (bend Y in Fig.1); however, it is recommended that the vertical displacement of bend Y be restricted more. The results presented here provide valuable information for future risk based maintenance inspection and further safe operation considerations.

• Geotechnical Engineering
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• v.11 no.3
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• pp.139-162
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• 1995

The possibility of the development of gas driven hydrofractures at the Waste Isolation Pilot Plant(WIPP) is investigated through analytical and numerical calculations and through laboratory experiments. First, an investigation of the chemical reactions involved shows that a large volume of gas could potentially be generated through the oxidation of iron in the waste. Simple ground water'flow calculations then show that unless regions of high permeability has been created, this gas volume will build up the pressure high enough to cause tensile damage in the horizontal planes of weakness or in the halite itself. The analytical calculations were performed using the concepts of linear elastic fracture mechanics and the numerical calculations were done using the finite element method. Also, laboratory tests were conducted to illustrate possible failure mechanisms. It is possible that after growing horizontal crack in the weaker anhydride layer, the crack could break out of this layer and propagate upward into the halite and toward the ground surface at an inclined argle of around 53$^{\circ}$ above horizontal. To prevent this latter phenomenon the anhydrite must have a fracture toughness less than 0.5590 times than that of the halite. Through the tests, three types of crack(radial vertical cracks, horizontal circular cracks and cone -shaped cracks) were observed.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.41 no.8
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• pp.597-604
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• 2013

A coupled thermomechanical analysis of composite structures in pyrolysis and ablation environments is performed. The pyrolysis and ablation models include the effects of mass loss, pore gas diffusion, endothermic reaction energy, surface recession, etc. The thermal and structural analysis interface is based upon a staggered coupling algorithm by using a commercial finite element code. The characteristics of the proposed method are investigated through numerical experiments with carbon/phenolic composites. The numerical studies are carried out to examine the surface recession rate by chemical and mechanical ablation. In addition, the effects of shrinkage or intumescence during the pyrolysis process are shown.