• Journal of Korean Society of Water and Wastewater
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• v.20 no.6
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• pp.905-910
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• 2006

In order to evaluate the optimum operation condition of ozonation to minimize bromate formation, based on the NOM characteristics of raw waters, the pathway of bromate formation by ozonation in domestic raw waters was investigated. Considering the bromate formation reactions, the fractions of bromate formation from bromide by OH radical and molecular ozone were calculated with measured values of ozone decay rate ($k_c$) and Rct. The results showed that molecular ozone is more important role in the formation of bromate in domestic raw waters than OH radical. The ratio of bromide oxidation reaction by molecular ozone ranged 73~88%. Fractions of $HOBr/OBr^-$ reaction with both molecular ozone and OH radical were also determined. OH radical reaction with $HOBr/OBr^-$ was dominant. The differential equations based on the stoichiometry of bromate formation were established to predict the formation rate of bromate by ozonation. The results shows good correlation with experimental results.

• The Korean Journal of Food And Nutrition
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• v.10 no.1
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• pp.6-13
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• 1997

Reactivity and reaction mechanism for the photosensitized generation of hydroxyl radical by various coumarin derivatives are investigated by means of ESR and laser flash photolysis methods. The nine kinds of coumarin derivatives show to be proceeded through the OH·radical generation mechanism, however 1-ethyl-3-nitro-1-nitrosoguanidine decomposes and produces the carbene intermediate before OH·radical generation reaction occurs. The nine coumarin derivatives show the signals, which are corresponded to DMPO-OH spin adducts. NaN3, EtOH and HCOONa act as a strong photosensitizer to quench OH·radical. The decay rate constants of the hydrated electrons in the case of added N2O show higher than added K3Fe(CN)6.

• Journal of Environmental Health Sciences
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• v.35 no.6
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• pp.532-537
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• 2009

The tropospheric ozone production mechanism for the gas phase additive oxidation reaction of hydroxyl radical (OH) with isoprene (2-methyl-1,3-butadiene) has been studied using cavity ring-down spectroscopy (CRDS) at total pressure of 50 Torr and 298 K. The applicability of CRDS was confirmed by monitoring the shorter (~4%) ringdown time in the presence of hydroxyl radical than the ring-down time without the photolysis of hydrogen peroxide. The reaction rate constant, $(9.8{\pm}0.1){\times}10^{-11}molecule^{-1}cm^3s^{-1}$, for the addition of OH to isoprene is in good agreement with previous studies. In the presence of $O_2$ and NO, hydroxyl radical cycling has been monitored and the simulation using the recommended elementary reaction rate constants as the basis to OH cycling curve gives reasonable fit to the data.

• Journal of Environmental Science International
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• v.19 no.6
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• pp.755-759
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• 2010

Each four polycyclic aromatic hydrocarbons (PAHs) was reacted with OH radical at $1.5{\AA}$ distance by CAChe MOPAC 2000 program. These results were compared to those reported experimental results. Reaction positions of all four PAHs corresponded with predicted positions in which ${\Delta}$E(HOMO-LUMO) was approximately 4.7. Finally oxygen of OH radical combined with PAH and quinone form of products were produced. These results indicate that the proposed determining the ${\Delta}$E(HOMO-LUMO) can be effectively applied to predict reaction position of recalcitrant compounds such as dioxins, PCBs, POPs, and etc.

• Asian Journal of Atmospheric Environment
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• v.9 no.2
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• pp.158-164
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• 2015

The estimation of the concentration of hydroxyl radical (OH) in the atmosphere is essential to build atmospheric models and to understand the mechanisms of the reactions involved in OH. Although water vapor is one of the most abundant species in the troposphere, only a few studies have been performed for the reaction of OH and water vapor. Here I demonstrate an ab initio study on the complex forming reation of OH with $H_2O$ in the gas phase performed based on density functional theory to calculate the reaction rate and the energy states of the reactant and the OH-$H_2O$ complex. The structure of the complex, which belongs to the Cs point group, was optimized at global minima. The transition state was not found at the B3LYP and MP2 levels of theory. Rate constants of the forward and the reverse reactions were calculated as $1.1{\times}10^{-16}cm^3\;molecule^{-1}\;s^{-1}$ and $5.3{\times}10^9\;s^{-1}$, respectively. The extremely slow rates of complex forming reaction and the resulting hydrogen atom exchange reaction of OH and $H_2O$, which are consistent with experimentally determined values, imply a negligible possibility of a change in OH reactivity through the title reaction.

• Journal of Korean Society on Water Environment
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• v.35 no.6
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• pp.550-556
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• 2019

This study was carried out to improve the photocatalytic reaction of TiO₂ photocatalyst. During the photocatalytic reaction, OH radicals are generated and they have an excellent oxidation capability for wastewater treatment. To evaluate the OH radicals generated according to crystallographic structure of TiO₂ nanotubes photocatalyst, a probe compound, 4-Chlorobenzoic acid was monitored to evaluate OH radical. Ultraviolet light was applied for photocatalytic reaction of TiO₂. The 4-Chlorobenzoic acid solution was prepared at laboratory. TiO₂ nanotube was grown on titanium plate by using anodization method. The annealing temperature for TiO₂ nanotube was varied from 400 to 900 ℃ and the crystal forms of the TiO₂ nanotube was analyzed. Depending on annealing temperature, TiO₂ nanotubes have shown different crystal forms; 100% anatase (0 % rutile), 18.4 % rutile (81.6 % anatase), 36.6 % rutile (63.4 % anatase) and 98.6% rutile (1.4% anatase). As the annealing temperature increases, the rutile ratio increases. OH radical generation from 18.4 % rutile TiO₂ nanotube plate was about 3.8 times higher than before annealing and 1.4 times higher than only 100 % anatase-TiO₂ nanotube. The efficiency of the 18.4% rutile TiO₂ nanotube was the best in comparison to TiO₂ nanotube with 18.4 %, 36.6 % and 98.6 % rutile. As a result, photocatalytic ability of 18.4 % rutile-TiO₂ nanotube plate was higher than 100 % anatase-TiO₂ nanotube plate.

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.964-972
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• 2011

This work investigated the difference between $Fe^{2+}$ autoxidation-induced and Fenton-type cleavage of pBR322 plasmid DNA. $^{\cdot}OH$ generation reactions in the absence and presence of $H_2O_2$ under various conditions were also investigated. Although both the $Fe^{2+}$ autoxidation and Fenton-type reactions showed DNA cleavage and $^{\cdot}OH$ generation, there were significant differences in their efficiencies and reaction rates. The rate and efficiency of the cleavage reaction were higher in the absence of 1.0 mM of $H_2O_2$ than in its presence in 20 mM phosphate buffer. In contrast, the $^{\cdot}OH$ generation reaction was more prominent in the presence of $H_2O_2$ and showed a pH-independent, fast initial reaction rate, but the rate was decreased in the absence of $H_2O_2$ at across the entire tested pH range. Studies using radical scavengers on DNA cleavage and $^{\cdot}OH$ generation reactions in both the absence and presence of $H_2O_2$ confirmed that both reactions spontaneously involved the active oxygen species $^{\cdot}OH$, ${O_2}^{\cdot-}$, $^1O_2$ and $H_2O_2$, indicating that a similar process may participate in both reactions. Based on the above observations, a new mechanism for the $Fe^{2+}$ autoxidation-induced DNA cleavage reaction is proposed.

• Journal of Korean Society of Water and Wastewater
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• v.12 no.1
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• pp.88-95
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• 1998

The Electron/Hole Pair is generated when the Activation Energy produces by Ultraviolet Ray illumination to the Semiconductor. And $OH^-$ ion produces by Water Photo-Cleavage reacts with Positive Hole. As a result, OH Radical acting as strong oxidant is generated and then Photocatalytic Oxidation Reaction occurs. The Photocatalytic Oxidation can oxidize the chlorophenol to Chloride and Carbon Dioxide easier, safer and shorter than conventional Water Treatment Process With the same degree of chlorination, the $Cl^-$ ion at para (C4) position is most easily replaced by the OH radical. And then, the blocking effect of $OH^-$ ion between the $Cl^-$ ions and $Cl^-$ ions at symmetrical location is easily replaced by the OH radical. For mono-, di-, tri-chlorophenols, there is no obvious difference in decomposition rate, decomposition efficiency and completeness of the decomposition reaction except for 2,3-dichloropheno, 2,4,5-, 2,3,4-trichlorophenol. The decomposition efficiency is higher than 75% and completeness of the decomposition reaction is higher than 70%. Therefore, continuous flow photocatalytic reactor is promising process to remove the chlorinated aromatic compounds which is more toxic than non-chlorinated aromatic compound.

• Journal of Korean Society of Environmental Engineers
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• v.30 no.10
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• pp.1039-1046
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• 2008

The combining process of UV irradiation and H$_2$O$_2$ was used to investigate characteristics of cefaclor decomposition in the aquatic environment. The separate mixing tank was used to minimize the decreasing effective of contact area caused by sampling. Four baffles were installed inside the UV reactor for the complete mixing of the sample and outside of the reactor was wrapped with aluminum foil to protect the emission of photon energy. Production of OH radical was measured using pCBA(p-Chlorobenzoic acid) indirectly and rate constants were withdrawn pseudo-frist order reaction. Optimum condition for the maximum production of OH radical was found to be pH 3, hydrogen peroxide of 5 mmol/L and recirculation rate of 400 mL/min. Pseudo-frist order reaction rate constant was 0.1051 min$^{-1}$. In the optimum condition, cefaclor was completely decomposed within 40 min and rate constant was 0.093 min$^{-1}$. Decomposition by OH radical producted intermediate anions such as chloride, nitrate, sulfite and acetic acid and phenylglycine. After 6 hr most cefaclor was decomposed by UV/H$_2$O$_2$ process and converted to CO$_2$ and H$_2$O, resulting of operation in the decrease of TOC and acetic acid and the disappearance of phenylglycine.

• Journal of Korean Society for Atmospheric Environment
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• v.19 no.E3
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• pp.129-136
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• 2003

Effects of inorganic aerosols on the kinetics of the hydroxyl radical reactions with selected aliphatic alkanes have been investigated using the relative rate technique. The relative rates in the absence and presence of aerosols were determined for n-butane, n-pentane, n-hexane, n-octane, and n-decane. P-xylene was used as a reference compound. Inorganic aerosols including (NH$_4$)$_2$SO$_4$, NH$_4$NO$_3$, and NaCl aerosols at two different aerosol concentrations that are typical of polluted urban conditions were tested. Total surface areas of aerosols were 1400 (Condition I) and 3400 $\mu$$m^2$ cm$^{-3}$ (Condition II). Significant changes in the relative rates in the presence of the inorganic aerosols were not observed for the n-butanel/$.$OH, n-pentanel/$.$OH, n-hexanel/$.$OH, n-octanel/$.$OH, and n-decanel/$.$OH reactions versus p-xylenel/$.$OH reaction. These results suggest that the promoting effects depend on the semiconducting property of the aerosols and the nature of the organic compounds.