• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.35-35
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• 2010

Understanding the mechanistic details of heterogeneous catalytic reactions will provide a way to tune the selectivity between various competing reaction channels. In this regard, catalytic decomposition of alcohols over the rutile $TiO_2$(110) surface as a model oxide catalyst has been studied to understand the reaction mechanism employing the temperature-programmed desorption (TPD) technique. The $TiO_2$(110) model catalyst is found to be active toward alcohol dehydration. We find that the active sites are bridge-bonded oxygen vacancies where RO-H heterolytically dissociates and binds to the vacancy to produce alkoxy (RO-) and hydroxyl (HO-). Two protons adsorbed onto the bridge-bonded oxygen atoms (-OH) readily react with each other to form a water molecule at ~500 K and desorb from the surface. The alkoxy (RO-) undergoes decomposition at higher temperatures into the corresponding alkene. Here, the overall desorption kinetics is limited by a first-order decomposition of intermediate alkoxy (RO-) species bound to the vacancy. We show that detailed analysis on the yield and the desorption temperatures as a function of the alkyl substituents provides valuable insights into the reaction mechanism. After the catalytic role of the oxygen vacancies has been established, we employed x-ray photoelectron spectroscopy to further study the surface electronic structure related to the catalytically active defective sites. The defect-related state in valence band has been related to the chemically reduced $Ti^{3+}$ defects near the surface region and are found to be closely related to the catalytic activity of the $TiO_2$(110) surface.

• Journal of the Korean Society for Geothermal and Hydrothermal Energy
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• v.17 no.2
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• pp.1-10
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• 2021

Lithium-ion batteries with high energy density, long cycle life and other advantages, have been widely used to energy storage systems(ESS). But as ESS fires frequently occur, the safety concern has become the main obstacle that hinders the large-scale applications of lithium-ion batteries. Especially, thermal runaway is the key scientific problem in battery safety research. Therefore, in this study, we performed a numerical analysis on the thermal runaway phenomenon of NCM111, NCM523 and NCM622 batteries using a two-dimensional analysis model. The results show that the two-dimensional simulation results are generally matched with three-dimensional simulation. Also, In the case of NCM111 with a low Ni content in the temperature range used in this study, thermal runaway phenomenon does occurred very slowly, but as the Ni content is increased, the thermal runaway phenomenon occurs rapidly and the thermal stability tends to be decreased. And, in NCM523 and NCM622 batteries, chain reactions occur almost simultaneously, but in the case of NCM111 battery, it is found that after the SEI(Solid Electrolyte Interface) layer decomposition reaction, the cathode-electrolyte reaction is appeared sequentially. After that, the anodic decomposition reaction is increased and leads to the thermal runaway reaction.

• Journal of Microbiology and Biotechnology
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• v.8 no.2
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• pp.165-170
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• 1998

Lipase-catalyzed esterification of n-butyl oleate was carried out in n-hexane as a model reaction. The optimal activity of Candida rugosa lipase was shown in a water activity ($a_w$) range of 0.52 to 0.65 at $30^{\circ}C$. The water produced from the esterification was removed by a tubular type pervaporation system. The rate of ester formed from the enzymatic esterification was allowed to be the same as the rate of water removal by maintaining an optimal $a_w$ of the reaction system using an on-off dewatering control device. The reaction rate and yield with a$a_w$ control were increased two folds higher than the respective values for the uncontrolled reaction.

• Journal of Environmental Science International
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• v.23 no.4
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• pp.615-623
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• 2014

The groundwater level varies according to the characteristics and composite materials of aquifer. In this study, specific yield and reaction factor which are the major two hydrogeological parameters in the WTF(Water Table Fluctuation) method were estimated and analyzed spatial characteristics. 8 groundwater level stations which have enough measuring period and high correlation with rainfall in the Hancheon watershed were used. The results showed that specific yield was randomly distributed and reaction factor showed inverse trend with altitude. If the enough data were collected, reaction factor according to altitude in ungauged points could be estimated by using these parameter characteristics.

• Korean Chemical Engineering Research
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• v.49 no.3
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• pp.372-380
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• 2011

Char gasification is affected by operating conditions such as reaction temperature, reactants gas partial pressure, total system pressure and particle size in addition to chemical composition and physical structure of char. The aim of the present work was to characterize the effect of coal particle size on $CO_{2}$ gasification of chars prepared from two different types of bituminous coals at different reaction temperatures(1,000-$1,400{^{\circ}C}$). Lab scale experiments were carried out at atmospheric pressure in a fixed reactor where heat was supplied into a sample of char particles. When a flow of $CO_{2}$(40 vol%) was delivered into the reactor, the char reacted with $CO_{2}$ and was transformed into CO. Carbon conversion of the char was measured using a real time gas analyzer having NDIR CO/$CO_{2}$ sensor. The results showed that the gasification reactivity increased as the particle size decreased for a given temperature. The sensitivity of the reactivity to particle size became higher as the temperature increases. The size effects became remarkably prominent at higher temperatures and became a little prominent for lower reactivity coal. The particle size and coal type also affected reaction models. The shrinking core model described better for lower reactivity coal, whereas the volume reaction model described better for higher reactivity coal.

• Journal of the Korean Society of Propulsion Engineers
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• v.21 no.3
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• pp.10-17
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• 2017

The analytical modeling has been established on the self-propagation of intermetallic reaction in the spanwise direction of highly reactive boron and titanium nanoscale multilayers. Assuming that the reaction obeys Arrhenius kinetics, two-dimensional computations are carried out for heat and atomic species diffusion with exothermic reaction model in order to simulate the self-propagation of intermetallic reaction. The effects of bimetallic layer thickness and thickness ratio on the reaction propagation speed are tested and discussed in addition to the assessment of pre-mixing zone effects.

• Computers and Concrete
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• v.15 no.6
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• pp.989-999
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• 2015

An advanced continuum-based multi-physical single particle model was recently introduce for the hydration of tricalcium silicate ($C_3S$). In this model, the dissolution and the precipitation events are modeled as two different yet simultaneous chemical reactions. Product precipitation involves a nucleation and growth mechanism wherein nucleation is assumed to happen only at the surface of the unreacted core and product growth is characterized via a two-step densification mechanism having rapid growth of a low density initial product followed by slow densification. Although this modeling strategy has been shown to nicely mimic all stages of $C_3S$ hydration - dissolution, dormancy (induction), the onset of rapid hydration, the transition to slow hydration and prolonged reaction - the major criticism is that many adjustable parameters are required. If formulated correctly, however, the model parameters are shown here to be statistically independent and significant.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2005.11a
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• pp.450-454
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• 2005

A numerical analysis is performed to analyze the reacting flow-field of an axisymetric coaxial ramjet combustor. Two dimensional Navier-Stokes equation with low Reynolds number $k-\varepsilon$ turbulence model is utilized and finite-rate chemistry model is adopted. Eddy dissipation model is applied for a modeling of turbulent combustion. Two different types of combustors (combustor with a suddenly expanded dump and combustor with wedge-shaped flame holders) are compared in a view point of flame stabilizing.

• Korean Chemical Engineering Research
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• v.50 no.1
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• pp.76-82
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• 2012

Biomass and coal are great potential energy sources for gasification process. These solids can be gasified to produce syngas and bio-oil which can be upgraded further to transportation fuel. Two biomass and three coals have been gasified with steam in a thermobalance reactor under atmospheric pressure in order to evaluate their kinetic rate information The effects of gasification temperature ($600{\sim}850^{\circ}C$) and partial pressure of steam (30~90 kPa) on the gasification rate have been investigated. The three different types of gas-solids reaction models have been applied to the experimental data to compare their predictions of reaction behavior. The modified volumetric reaction model predicts the conversion data well, thus that model was used to evaluate kinetic parameters in this study. The gasification reactivity of five solids has been compared. The obtained activation energy of coal and biomass gasification were well in the reasonable range. The expression of apparent reaction rates for steam gasification of five solids have been proposed as basic information for the design of coal gasification processes.

• Journal of Ginseng Research
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• v.28 no.3
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• pp.143-148
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• 2004

Brown color intensity has been a major factor to estimate the quality of red ginseng and its products. This study deals with the relationship between the browning reaction of ginseng root and two compounds, arginyl-fructosyl-glucose(Arg-fru-glc) and arginyl-fructose (Arg-fru), in the model system of steaming and heat-drying processes for the preparation of red ginseng. During the steaming process, a marked decrease of starch and a considerable formation of maltose occurred in main roots of raw ginseng, but the formation of glucose was scarcely observed. After the heat-drying process, the brown color intensity of the powdered preparation of steamed main roots was 3 to 4 times higher than that of the powdered preparation of raw main roots. Also, when the heat- drying process was done with the addition of L-arginine, brown color intensity of the powdered preparation of steamed main roots was 12 to 13 times higher than that of the powdered preparation of raw main roots. The amount ratios of browning reaction products formed from sugar compounds and amino acids in the model system of steaming and heat-drying treatments in vitro were in order of xylose > glucose > fructose > maltose > dextrin (DE 9) > sucrose > dextrin (DE 8) and soluble starch. Each solution of Arg-fru-glc and Arg-fru that were synthesized chemically from maltose plus L-arginine and glucose plus L-arginine, respectively, changed from colorless to brown color during the heat-drying treatment. Amino acids or sugars were effective on the acceleration of each browning reaction of Arg-fru-gIc and Arg-fru during the heat-drying treatment.