• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.300-300
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• 2011

Si oxidation is a key process in developing silicon devices, such as highly integrated metal-oxide-semiconductor (MOS) transistors and antireflection-coating (ARC) on solar cell substrate. Many experimental and theoritical studies have been carried out for elucidating oxidation processes and adsorption structure using ab initio total energy and electronic structure calcultaions. However, the initial oxidation processes at step edge on vicinal Si surface have not been studied using the ReaxFF reactive force field. In this work, strucutural change, charge distribution of oxidized Si throughout the depth from Si surface were observed during oxidation processes on vicinal Si(001) surface inclined by $10.5^{\circ}$ of miscut angle toward [100]. Adsorption energys of step edge and flat terrace were calculated to compare the oxidation reaction at step edge and flat terrace on Si surface.

• Journal of the Korean Applied Science and Technology
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• v.21 no.1
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• pp.76-88
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• 2004

The catalytic oxidation reaction of several cycloolefins in $CH_2Cl_2$ have been investigated using non-redox metalloporphyrin(M = Ga(III), In(III) and TI(III) complexes as a catalyst and sodium hypochlorite as a terminal oxidant. Porphyrins were $(p-CH_3O)$TPP, $(p-CH_3)$TPP, TPP, (p-F)TPP, (p-Cl)TPP and $(F_{20})$TPP (TPP=5,10,15,20-tetraphenyl-21H,23H-porphyrin) and olefins were cyclopentene, cyclohexene, cycloheptene and cyclooctene, The substrate conversion yield(%) was investigated according to the radius effect of non-redox metal ion, substituent effect and hindrance effect of metalloporphyrin. The conversion yield of cycloolefin was in the following order : $C_5$ < $C_6$ < $C_7$ = $C_8$.

• Journal of Korean Society of Water and Wastewater
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• v.14 no.1
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• pp.76-83
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• 2000

This research is about wastewater containing non-biodegradable TDI(Toluene Diisocyanate) that is treated by the activated carbon adsorption method. In the case of the Fenton oxidation process being applied to the existing process, optimal pH, reaction time, chemical dosing amount, removal rate, and cost were investigated. A pilot plant test was applied after finding optimal conditions with lab experiments. The optimal conditions were pH 3~5(COD removal rate 84~88%) and reaction time 30min~1hr. In higher $H_2O_2$ dosing amount, COD removal rate was a little higher. But there was little difference in the removal rate according to $FeSO_4{\cdot}7H_2O$ dosing amount. Treatment cost was economical in the case of the Fenton oxidation process being operated earlier than activated carbon adsorption system. But chemical dosing point, chemical mixing effect, chemical dosing amount, removal rate, and the cost of facility and others must be considered in practical process.

• Environmental Sciences Bulletin of The Korean Environmental Sciences Society
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• v.10 no.S_4
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• pp.165-172
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• 2001

We investigated the optimal experimental conditions and reaction kinetics for the decompositions of PCE, TCE, naphthalene, and chloroform using conventional Fenton oxidation process. Additionally, the influence of pH on the decompositions of PCE was also evaluated. The results indicated that the optimal pH value was around 3. The dosage of Fenton's reagent and the molar ratio of hydrogen peroxide to ferrous ion for an approximately complete decomposition was found to depend on the properties of the organic compound. Due to their unsaturated structures, the results show that PCE, TCE, and naphthalene could be all effectively decomposed by Fenton's reagent oxidation. Their unsaturated structures could be mostly destoyed within first 1-2 minutes at a low dosage with an certain molar ratio of hydrogen peroxide to ferrous ion. However the saturated compound such as chloroform was more difficult to decompose even with a relatively high dosage of Fenton's reagent.

• Bulletin of the Korean Chemical Society
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• v.35 no.1
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• pp.111-116
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• 2014

The kinetics and mechanism of oxidation of sulfanilic acid by N-chloro-p-toluene sulfonamide (chloramine-T) have been studied in acid medium. The species of chloramine-T were analysed on the basis of experimental observations and predominantly reactive species was taken into account for proposition of most plausible reaction mechanism. The derived rate law (1) conforms to such a mechanism. $$-\frac{d[CAT]}{dt}=\frac{kK_1[RNHCl][SA]}{K_1+[H^+]}$$ (1) All kinetic parameters were evaluated. Activation parameters such as energy and entropy of activation were calculated to be $(61.67{\pm}0.47)kJmol^{-1}$ and $(-62.71{\pm}2.48)kJmol^{-1}$ respectively employing Eyring equation.

• Bulletin of the Korean Chemical Society
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• v.29 no.5
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• pp.1033-1037
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• 2008

A copper cyclam-type complex was successfully immobilized onto mesoporous silica SBA-16. Characterization by NIR spectroscopy and TGA analysis confirmed that copper cyclam complex is immobilized onto mesoporous SBA-16. The Cu(II)-Cyclam-SBA-16 was proven to be a good catalyst for oxidation reaction of cyclohexene with conversion up to 77.8% after 13 h reaction and providing a high selectivity to cyclohexenol and 3-hydroperoxycyclohex-1-ene. The results suggest that the copper species play a major role as catalyst via reversible redox cycles as proven by cyclic voltammetry analysis.

• Bulletin of the Korean Chemical Society
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• v.27 no.12
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• pp.2023-2027
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• 2006

Dibenzyl sulfide was oxidized at the a-carbon to yield benzaldehyde in the presence of $Pd(NO_3)_2$. Oxygen itself could not oxidize the sulfide directly, instead the nitrato ligand of the palladium complex transferred oxygen to dibenzyl sulfide to form benzaldehyde. The X-ray crystal structure of the intermediate complex, cis-[$Pd(NO_3)_2${$S(CH_2C_6H_5)_2$}$_2$], revealed that the nitrato ligand was unidentate. Para-substituted dibenzyl sulfides I, $(YC_6H_4CH_2)_2S $wherein Y = $OCH_3$, $CH_3$, Cl, CN, or $NO_2$, were synthesized and reacted with palladium nitrate, and those with electron-donating substituents (Y = $OCH_3$ and $CH_3$) were good substrates for the oxidation reaction with palladium nitrate. Thus, the reaction mechanism of the oxygen transfer was proposed to include nucleophilic benzylic carbon.

• Journal of the Korean Ceramic Society
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• v.33 no.9
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• pp.985-994
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• 1996

The initiation and growth of $\alpha$-Al2O3/metal composites by the directed oxidation of molten commercial AlZnMg-alloy at 1223-1423K were investigated. Spontaneous bulk growth did not occur on the alloy alone. but the uniform initiation and growth of the composite were obtained by putting a thin layer of SiO2 particles on the surface of the alloy. Without SiO2 the external surface of the oxide layer was convered by MgO and MgAl2O4. But with the SiO2 reaction initiate the porous ZnO layers were found on the growth surface. The higher process temperature yielded a lower metal content. The oxidation product of $\alpha$-Al2O3 was found to be oriented with c-axis parallel to th growth direction. The growth rates increased with temperature and the apparent activation energy was 111.8 kJ/mol.

• Journal of the Korean Chemical Society
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• v.57 no.2
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• pp.210-215
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• 2013

Kinetics of oxidation of indole by peroxomonosulphate (PMS) in aqueous acetonitrile medium has been investigated. The reaction follows a total second order, first order each with respect to [Indole] and [PMS]. The rate of the reaction was not affected by added [$H^+$]. Variation of ionic strength (${\mu}$) had no influence on the rate. Increase of percentage of acetonitrile decreased the rate. Absen ce of any polymerization indicated a nonradical pathway. Activation and thermodynamic parameters have bee n computed. A suitable kinetic scheme based on these observations is proposed. The reactivity of PMS towards Indole was found to be higher than that with peroxodisulphate.

• Journal of the Korean Ceramic Society
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• v.27 no.5
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• pp.652-660
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• 1990

Oxidation of Mn-Zn ferrite was made in air at various temperatures ranging from 400$^{\circ}C$ to 1150$^{\circ}C$. Subsequent reduction fo these oxidized samples was also made in air at 1300-1350$^{\circ}C$ where the spinel phase of Mn-Zn ferrite is stable. Morphological observation revealed that the shape of precipitated hematite was plate or lath type on the close-packed habit plane of {111} ferrite which has a definite orientation relationship. The growth of precipitates showed the behavior fo parabolic dependence of the oxidating time. An apparent activation energy for the growth was found to be 125${\pm}$3Kcal/mol. The fact that pores are observed along the precipitates illustrates the oxidation to occur dominantly by the counterdiffusion of cations and ction vacancies. For the reductio reaction pores are found to form at the site once occupied by the precipitates and at the surface. This observation illustrates that the oxygen volitalization from interior region to the surface is the dominant process for the reduction reaction.