• Korean Journal of Materials Research
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• v.20 no.9
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• pp.463-466
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• 2010

We studied the initial reaction mechanism of Zn precursors, namely, di-methylzinc ($Zn(CH_3)_2$, DMZ) and diethylzinc ($Zn(C_2H_5)_2$, DEZ), for zinc oxide thin-film growth on a Si (001) surface using density functional theory. We calculated the migration and reaction energy barriers for DMZ and DEZ on a fully hydroxylized Si (001) surface. The Zn atom of DMZ or DEZ was adsorbed on an O atom of a hydroxyl (-OH) due to the lone pair electrons of the O atom on the Si (001) surface. The adsorbed DMZ or DEZ migrated to all available surface sites, and rotated on the O atom with low energy barriers in the range of 0.00-0.13 eV. We considered the DMZ or DEZ reaction at all available surface sites. The rotated and migrated DMZs reacted with the nearest -OH to produce a uni-methylzinc ($-ZnCH_3$, UMZ) group and methane ($CH_4$) with energy barriers in the range of 0.53-0.78 eV. In the case of the DEZs, smaller energy barriers in the range of 0.21-0.35 eV were needed for its reaction to produce a uni-ethylzinc ($-ZnC_2H_5$, UEZ) group and ethane ($C_2H_6$). Therefore, DEZ is preferred to DMZ due to its lower energy barrier for the surface reaction.

• KSBB Journal
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• v.17 no.4
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• pp.396-402
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• 2002

Biodiesel has attracted considerable attention during the past decade as a biodegradable, nontoxic, and renewable fuel, Several processes for the production of biodiesel have been developed, among which transesterification under alkali-catalysis gives high level yield of methyl esters in short reaction times. In this research, response surface method was applied to optimize the transesterification reaction under alkali-catalysis. It was found that reaction temperature, reaction time, and agitation rate of reactor had profound effects among the seven variables affecting on biodiesel conversion. The optimal temperature, reaction time, and agitation speed were 67$^{\circ}C$, 68 minutes, and 94 rpm, respectively. Under the optimal conditions, the experimental value of biodiesel conversion was 99.7%.

• Journal of the Korean institute of surface engineering
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• v.21 no.2
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• pp.53-67
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• 1988

The high temperature corrosion of Fe-C alloys were studied at I atm SO gas in the temperature range 500~80$0^{\circ}C$ by means of a thermogravimetric analysis. The Na2SO4 induced high tempwrature corrosion rate was also measured at atm O2 gas under above the temperature renge. The reaction products were identified with the aid of X-ray diffraction technique, and micostruction of the alloy/scale interface was observed with a optical microscope and SEM. The experimental results were disussed by the themodeynamic calcutions. Under above the experimental condition. the reaction rates decrbon with increasing carbon content. The transfer of Fe ion was limited by a residue of carbon precipitated at alloy scale interface due to the oxidation of Fe-C alloys at alloy surface. The effect of cold working on reaction rate was different between the Fe containing low carbon and Fe-C Alloy containing carbon above 0,73 wt%. In a cold worked iron containing low carbon content, the crystallization of metal surface leads to the poor adherence between the alloy and the cavity formed between the alloy and scale. The outward diffusion of ion through the scale is estimated to be hindered by the cavity formed between the scale, consequently decreasing reaction rate. In the case Fe-C containing carbon above 0.73 Wt% alloy, the reaction rate was little affected by cold working, because the effect of content on reaction rats is greater than the effect of cold working.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2005.04a
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• pp.49-52
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• 2005

In this study, abiotic transformation of 1-naphthol via oxidative-coupling reaction was evaluated using Mn oxide which is ubiquitous in natural soils. The transformation of 1-naphthol catalyzed by synthetic birnessite $({\delta}-MnO_2)$ followed pseudo-lst order reaction, and the rate constants was in the range of $0.053{\sim}0.13\;min^{-1}$ with birnessite loadings of $12.5{\sim}50\;mg/20\;mL$. Since the oxidation of 1-naphthol was occurred on the reactive surface of the oxide particles, the rate constants with various birnessite loadings were correlated with birnessite surface area concentration. The correlation showed a strong linearity, which confirms the supposition of the surface reaction. From the correlation, therefore, the surface area normalized rate constant, $k_{surf}$, was determined to be 0.032 $L/m^2\;min$.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2020.11a
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• pp.23-24
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• 2020

In this study, effect of surface modification of waste glass for fine aggregates on the mechanical properties and alkali silica reaction of mortar was analyzed. As a result, it was confirmed that the incorporation of waste glass fine aggregate decreases the mechanical properties of the mortar and increase the alkali silica reaction expansion. On the other hand, the surface modification of the waste glass fine aggregate is effective in improving this problem. However, unlike green and brown waste glass, it is judged that an additional experiment to determine the cause is necessary for white waste glass where alkali silica reactive expansion occurs extremely.

• Bulletin of the Korean Chemical Society
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• v.21 no.11
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• pp.1095-1100
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• 2000

we have proposed a three-dimensional GLE approach to gas-surface reactive scattering, model H + H $${\rightarrow}$H_2/Si(100)-(2$ ${\times}$1) system, and the implementation of 3D GLE method on the hydrogen on silicon surface has been presented. The formalism and algori thm of the 3D GLE are worked properly in the reactive scattering system. The calculated normal mode frequencies of surface vibrations were almost identical to previous harmonic slab calculations. The reaction probabilities were calculated for two energies. The calculations show that a very large amount of energy is transferred in surface in low energy scattering. Three different types of reaction mechanisms has been observed, which can not be shown in flat and rigid surface models. Further work on the reaction mechanisms and calculations of the vibrational and rotation distributions of products is in progress. The results will be reported elsewhere soon.

• KSBB Journal
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• v.26 no.4
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• pp.341-346
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• 2011

This work is focused on the possibility of marine biomass Codium fragile as renewable resources for production of levulinic acid. In an effort to optimize the reaction conditions of levulinic acid production from Codium fragile, response surface methodology was applied. A total of 18 individual experiments were designed to investigate the effect of reaction temperature, catalyst amount, and reaction time. As a result, 4.26 g/L levulinic acid from Codium fragile was produced in the condition of $160.7^{\circ}C$ of reaction temperature, 3.9% of sulfuric acid, and 39.1 min of reaction time. This result will provide the useful information for chemical production from marine resource.

• Preventive Nutrition and Food Science
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• v.22 no.1
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• pp.37-44
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• 2017

Sulfur-containing amino acids play important roles in good flavor generation in Maillard reaction of non-enzymatic browning, so aqueous model systems of glucosamine and cysteine were studied to investigate the effects of reaction temperature, initial pH, reaction time, and concentration ratio of glucosamine and cysteine. Response surface methodology was applied to optimize the independent reaction parameters of cysteine and glucosamine in Maillard reaction. Box-Behnken factorial design was used with 30 runs of 16 factorial levels, 8 axial levels and 6 central levels. The degree of Maillard reaction was determined by reading absorption at 425 nm in a spectrophotometer and Hunter's L, a, and b values. ${\Delta}E$ was consequently set as the fifth response factor. In the statistical analyses, determination coefficients ($R^2$) for their absorbance, Hunter's L, a, b values, and ${\Delta}E$ were 0.94, 0.79, 0.73, 0.96, and 0.79, respectively, showing that the absorbance and Hunter's b value were good dependent variables for this model system. The optimum processing parameters were determined to yield glucosamine-cysteine Maillard reaction product with higher absorbance and higher colour change. The optimum estimated absorbance was achieved at the condition of initial pH 8.0, $111^{\circ}C$ reaction temperature, 2.47 h reaction time, and 1.30 concentration ratio. The optimum condition for colour change measured by Hunter's b value was 2.41 h reaction time, $114^{\circ}C$ reaction temperature, initial pH 8.3, and 1.26 concentration ratio. These results can provide the basic information for Maillard reaction of aqueous model system between glucosamine and cysteine.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.22 no.7
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• pp.549-554
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• 2009

Al thin films were synthesized on TiN/Si substrate by MOCVD using N-methylpyrrolidine alane (MPA) precursor. Effects of substrate temperature, reaction pressure on the deposition rate, surface roughness and electrical resistivity were investigated. The early stage of Al thin film formation was analyzed by in-situ surface reflectivity measurement with a laser and photometer apparatus. From the Arrhenius plot of deposition rate vs. substrate temperature, it was found that the activation energy of surface reaction was 91.1kJ/mole, and the transition temperature from surface-reaction-limited region to mass-transfer-limited region was about $150^{\circ}C$. The growth rate increased with the reaction pressure, and average growth rates of $200{\sim}1,200nm/min$ were observed at various experimental conditions. Surface roughness of the film increased with the film thickness. The electrical resistivity of Al film was about $4{\mu}{\Omega}{\cdot}cm$ in the case of optimum condition, and it was close to the value of the bulk Al, $2.7{\mu}{\Omega}{\cdot}cm$.

• Journal of the Korean institute of surface engineering
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• v.35 no.5
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• pp.319-324
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• 2002

It is known that ion-assisted reaction method is effective for the surface modification of polymers. The surface treatment of Spectra fibers using the ion-assisted reaction method was investigated in the present study The Spectra fibers were treated by $Ar^{+}$ / ion irradiation under oxygen environment. The treatment was carried out at different $Ar^{+}$ ion doses. The$ Ar^{+ }$ /ion doses used were $6$\times$10^{15}$ , $1$\times$10^{16}$ , $5$\times$10^{16}$ , $1$\times$10^{17}$ / ions/$\m^2$. Optimal $Ar^{+}$ ion dose in the treatment of Spectra fibers was determined by measuring the tensile strength and modulus of Spectra/vinylester composites as a function of ion dose. It was found that the optimal ion dose was $1$\times$10^{16}$ions/$\m^2$. It was also found from the scanning electron microscope examination that the surface-treatment improved adhesion between fibers and vinylester resin.