• 한국재료학회지
• /
• 제20권9호
• /
• pp.463-466
• /
• 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
• /
• 제17권4호
• /
• pp.396-402
• /
• 2002

바이오디젤(지방산 메틸 에스테르)은 생분해성, 무독성, 그리고 재생연료로서 지난 10여년간 많은 관심을 끌고 있다. 바이오디젤을 생산하기 위해 다양한 방법들이 개발되었는데, 그 중 알칼리 촉매를 이용한 에스테르화 반응이 짧은 시간동안 높은 수율을 얻을 수 있다. 따라서 본 연구에서는 알칼리 촉매하에 에스테르화 반응의 최적조건을 찾기 위하여 response surface method를 사용하였다. 결과적으로 바이오디젤 생산 공정에 영향을 주는 7개의 변수 중 반응온도, 반응시간, 그리고 교반속도가 중요했는데 이들의 최적 값은 각각 67$^{\circ}C$, 68분, 94 rpm이었다. 이와같은 최적인 조건하에서 실험한 결과 바이오디젤로의 전화율은 99.7%이었다.

• 한국표면공학회지
• /
• 제21권2호
• /
• pp.53-67
• /
• 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.

• 한국지하수토양환경학회:학술대회논문집
• /
• 한국지하수토양환경학회 2005년도 총회 및 춘계학술발표회
• /
• pp.49-52
• /
• 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 $L/m^2\;min$.

• 한국건축시공학회:학술대회논문집
• /
• 한국건축시공학회 2020년도 가을 학술논문 발표대회
• /
• pp.23-24
• /
• 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
• /
• 제21권11호
• /
• pp.1095-1100
• /
• 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
• /
• 제26권4호
• /
• pp.341-346
• /
• 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
• /
• 제22권1호
• /
• pp.37-44
• /
• 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.

• 한국전기전자재료학회논문지
• /
• 제22권7호
• /
• pp.549-554
• /
• 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, $2.7{\mu}{\Omega}{\cdot}cm$.

• 한국표면공학회지
• /
• 제35권5호
• /
• pp.319-324
• /
• 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.