• Nuclear Engineering and Technology
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• v.55 no.5
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• pp.1651-1664
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• 2023

It is very difficult to capture the multi-dimensional phenomena such as asymmetric flow and temperature distributions with the one-dimensional (1D) model, obviously, due to its inherent limitation. In order to overcome such a limitation of the 1D representation, many state-of-the-art system codes have equipped a three-dimensional (3D) component for multi-dimensional analysis capability. In this study, a standard multi-dimensional analysis model of APR1400 (Advanced Power Reactor 1400) has been developed using TRACE (TRAC/RELAP Advanced Computational Engine). The entire reactor pressure vessel (RPV) of APR1400 has been modeled using a single 3D component. The fuels in the reactor core have been described with detailed and coarse representations, respectively, to figure out the impact of the fuel description. Using both 3D RPV models, a comparative analysis has been performed postulating a double-ended guillotine break at a cold leg. Based on the results of comparative analysis, it is revealed that both models show no significant difference in general plant behavior and the model with coarse fuel model could be used for faster transient analysis without reactor kinetics coupling. The analysis indicates that the asymmetric temperature and flow distributions are captured during the transient, and such nonuniform distributions contribute to asymmetric quenching behaviors during blowdown and reflood phases. Such asymmetries are directly connected to the figure of merits in the LBLOCA analysis. Therefore, it is recommended to employ a multi-dimensional RPV model with a detailed fuel description for a realistic safety analysis with the consideration of the spatial configuration of the reactor core.

• Journal of the Korean Chemical Society
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• v.46 no.1
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• pp.57-63
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• 2002

The hydropurification reaction of CTA (crude terephthalic acid) was carried out with hydrogen over PdRu/CCM (carbon-carbonaceous composite material) catalyst in a batch reactor at high temperature. The first order kinetics of hydropurification is confirmed with the linear dependence of ln(4-CBA; 4-carboxybenzaldehyde) with reaction time. The reaction condition studied is thought to represent the hydropurification well because of the linear dependence of catalytic activity on the catalyst weight. The p-toluic acid (p-tol) in solid and liquid increases with the conversion of reaction or the decrease of 4-CBA. However, the benzoic acid (BA) concentration does not depend much on the conversion. The AT (alkali transmittance) does not depend on the 4-CBA when the concentration is higher than about 0.2% which shows the 4-CBA, in itself, does not cause the coloring effect. The AT of PTA depends inversely with the concentration of 4-CBA when the 4-CBA is less than about 0.15%. This may show the coloring materials are removed in parallel with the hydrogenation of 4-CBA. The (0.3%Pd-0.2%Ru)/CCM shows larger residual catalytic activity than a commercial catalyst, 0.5%Pd/C, after using in a commercial reactor even though the former has smaller fresh activity than the latter. The palladium and ruthenium in PdRu/CCM show the synergetic effect in activity when the ruthenium concentration is about $0.2{\sim}0.35$ wt%. It may be supposed that the PdRu/CCM catalyst can be a promising candidate to replace the commercial Pd/C catalyst.

• Applied Chemistry for Engineering
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• v.28 no.5
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• pp.597-600
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• 2017

$(C_{10}H_8N_2H)_2Cr_2O_7$ was synthesized by reacting 4,4'-bipyridine and chromium (VI) trioxide. The structure of the product was characterized with FT-IR (infrared spectroscopy) and elemental analysis. The oxidation of benzyl alcohol using $(C_{10}H_8N_2H)_2Cr_2O_7$ in various solvents showed that the reactivity increased with the increase of the solvent dielectric constant, in the order of DMF (N,N'-dimethylformamide) > acetone > chloroform > cyclohexane. In the presence of DMF, an acidic catalyst such as $H_2SO_4$ $(C_{10}H_8N_2H)_2Cr_2O_7$ oxidized benzyl alcohol (H) and its derivatives ($p-OCH_3$, $m-CH_3$, $m-OCH_3$, m-Cl, $m-NO_2$). Electron donating substituents accelerated the reaction rate, whereas electron acceptor groups retarded the reaction rate. Hammett reaction constant (${\rho}$) was -0.70 (308 K). The observed experimental data were used to rationalize the hydride ion transfer in the rate determining step.

• Journal of Korean Ophthalmic Optics Society
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• v.6 no.1
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• pp.149-153
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• 2001

Three-dimensional thermoluminescence(TL) spectra of LiF: Mg, Cu, Na, Si TL material based on temperature, wavelength and intensity were measured and analyzed. The glow curves were obtained by integration of luminescence intensity for wavelength at each temperature, and various trapping parameters related to the trap formation were determined by analyzing these curves. Computerized glow curve deconvolution(CGCD) method which based on general order kinetics(GOK) model were used for the glow curve analysis. The glow curves of LiF:Mg, Cu, Na, Si TL material were deconvoluted to six isolated glow curves which have peak temperature at 333 K, 374 K, 426 K, 466 K, 483 K and 516 K, respectively. The 466 K main glow peak had an activation energy of 2.06 eV and a kinetic order of 1.05. This TL material was also found to have three recombination centers, 1.80 eV, 2.88 eV and 3.27 eV by TL spectra analysis based on Franck-Condon model. It showed that 2.88 eV is the dominant center, followed by 3.27 eV level, and 1.80 eV center is ascertained as emission center of this material even though its very weak emission intensity.

• Resources Recycling
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• v.12 no.3
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• pp.13-24
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• 2003

The production characteristics of activated carbon from waste walnut shell have been investigated by taking activation temperature, activation time, amount of activating agent, and kind of activating agent as the major influential factors. The adsorption capacity of the activated carbon which was produced using phosphoric acid as the activating agent increased with activation temperature and showed its greatest value at about $550^{\circ}C$. Yield for activated carbon was observed to decrease continuously as the activation temperature was raised. The optimal activation time for the highest adsorption capacity was found to be about 2 hr, and as the activation time increased the yield for activated carbon was showed to decrease continuously. The increase in the amount of activating agent resulted in the increase of the yield for activated carbon, however, excessive amount of activating agent deteriorated its adsorption capacity reversely. The variations of the microstructure of activated carbon observed by SEM with several influential factors, correlated very well with its changes in the adsorbability with the same factors and the kind of activating agent was found to play an important role in the determination of the adsorption capacity of activated carbon. To investigate the adsorption characteristics of the produced activated carbon, the adsorption reactions of $Cu^{2+}$ ion were examined using the produced activated carbon as the adsorbent. In general, the kinetics of the adsorption of $Cu^{2+}$ ion was observed to follow a 2nd-order reaction and the rate constant for adsorption reaction increased as the initial concentration of adsorbate was diminished. The equilibrium adsorption of $Cu^{2+}$ was explained well with Freundlich model and its adsorption reaction was found to be endothermic. The activation energy for adsorption was calculated to be 13.07 kcal/mol, which implied that the adsorption reaction was very irreversible, and several thermodynamic parameters of adsorption reaction were estimated using van't. Hoff equation and thermodynamic relationships.

• Journal of the Korean Chemical Society
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• v.38 no.10
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• pp.753-762
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• 1994

Dephosphorylation of diphenyl- or isopropylphenyl-4-nitrophenylphosphinate (DPNPIN or IPNPIN) mediated by $OH^-$ or o-iodosobenzoate ion ($IB^-$) are relatively slow in aqueous solution. The reactions in CTAX micellar solutions are, however, very accelerated, because CTAX micelles can accommodate both reactants in their Stern layer in which they can easily react, while hydrophilic $OH^-$(or $IB^-$) and hydrophobic phosphinates are not mixed in water. Even though the concentrations (> $10^{-3}$ M) of $OH^-$(or $IB^-$) in CTAX solutions are much larger amounts than those ($6{\times}10^{-6}$ M) of phosphinates, the rate constants of the dephosphorylations are largely influenced by change of the concentration of the ions, which means that the reactions are not followed by the pseudo first order kinetics. In comparison to effect of the counter ions of CTAX in the reactions, CTACl is more effective on the dephosphorylation of DPNPIN (or IPNPIN) than CTABr due to easier expelling of $Cl^-$ ion by $OH^-$(or $IB^-$) ion from the micelle, because of easier solvation $Cl^-$ ion by water molecules. The reactivity of IPNPIN with $OH^-$(or $IB^-$) is lower than that of DPNPIN. The reason seems that the 'bulky' isopropyl group of IPNPIN hinders the attack of the nucleophiles. The mechanism of reaction of IPNPIN with IB- ion concluded as 'nucleophilic' instead of 'general basic' by a trapping experiment and a measured kinetic isotope effect.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.19 no.8
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• pp.378-384
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• 2018

$C_9H_7NHCrO_3Cl$ was synthesized by reacting $C_9H_7NH$ with chromium (VI) trioxide. The structure of the product was characterized by FT-IR (Fourier transform infrared) spectroscopy and elemental analysis. The oxidation of benzyl alcohol by $C_9H_7NHCrO_3Cl$ in various solvents showed that the reactivity increased with increasing dielectric constant(${\varepsilon}$) in the following order: DMF (N,N'-dimethylformamide) > acetone > chloroform > cyclohexane. The oxidation of alcohols was examined by $C_9H_7NHCrO_3Cl$ in DMF. As a result, $C_9H_7NHCrO_3Cl$ was found to be an efficient oxidizing agent that converts benzyl alcohol, allyl alcohol, primary alcohols, and secondary alcohols to the corresponding aldehydes or ketones (75%-95%). The selective oxidation of alcohols was also examined by $C_9H_7NHCrO_3Cl$ in DMF. $C_9H_7NHCrO_3Cl$ was the selective oxidizing agent of benzyl, allyl and primary alcohol in the presence of secondary ones. In the presence of DMF with an acidic catalyst, such as $H_2SO_4$, $C_9H_7NHCrO_3Cl$ oxidized benzyl alcohol (H) and its derivatives ($p-OCH_3$, $m-CH_3$, $m-OCH_3$, m-Cl, and $m-NO_2$). Electron donating substituents accelerated the reaction rate, whereas electron acceptor groups retarded the reaction rate. The Hammett reaction constant (${\rho}$) was -0.69 (308K). The observed experimental data were used to rationalize hydride ion transfer in the rate-determining step.

• Journal of Korean Society of Environmental Engineers
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• v.31 no.3
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• pp.179-185
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• 2009

In this research, the removal capacity of Cr(VI) by the reused powdered wastes (RPW) containing aluminium oxides was studied. As a pre-treatment process for the preparation of calcined wastes, calcination was conducted at $550^{\circ}C$ to remove organic fraction in the raw wastes. In order to study the adsorption trend of Cr(VI) ions from aqueous solutions, the pH-edge adsorption, adsorption kinetic and adsorption isotherm were investigated using a batch reactor in the presence of four different background electrolytes($NO_3\;^-,\;CO_3\;^{2-},\;SO_4\;^{2-},\;PO_4\;^{3-}$). Cr(VI) adsorption was greatly reduced in the presence of $SO_4\;^{2-}$ and $PO_4\;^{3-}$ over the entire pH range. Meanwhile the inhibition effect by $NO_3\;^-$ and $CO_3\;^{2-}$ was relatively lower than that by $SO_4\;^{2-}$ and $PO_4\;^{3-}$. Cr(VI) adsorption was maximum around pH 4.5 in the presence of $NO_3\;^-$ and $CO_3\;^{2-}$. As the concentration of background electrolytes increased, Cr(VI) adsorption decreased. This result mightly suggests that adsorption between the surface of RPW and Cr(VI) occurs through outer-sphere complex. Cr(VI) adsorption onto the RPW was well described by second-order kinetics. From the Langmuir isotherm at initial pH 3, the maximum adsorbed amount of Cr(VI) onto the RPW was 11.1, 10, 3.3, 5 mg/g in the presence of $NO_3\;^-,\;CO_3\;^{2-},\;SO_4\;^{2-}$, and $PO_4\;^{3-}$, respectively.