• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2325-2329
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• 2013

Second-order rate constants $k_N$ have been measured for reactions of benzyl 2-pyridyl thionocarbonate (4b) and t-butyl 2-pyridyl thionocarbonate (5b) with a series of cyclic secondary amines in MeCN at $25.0{\pm}0.1^{\circ}C$. The $k_N$ values for the reactions of 4b and 5b have been compared with those reported previously for the corresponding reactions of benzyl 2-pyridyl carbonate (4a) and t-butyl 2-pyridyl carbonate (5a) to investigate the effect of changing the electrophilic center from C=O to C=S on reactivity and reaction mechanism. The thiono compound 4b is more reactive than its oxygen analogue 4a. The Br${\o}$nsted-type plots for the reactions of 4a and 4b are linear with ${\beta}_{nuc}=0.57$ and 0.37, respectively. The reactions of 4a were previously reported to proceed through a concerted mechanism, while those of 4b in this study have been concluded to proceed through a stepwise mechanism with formation of an intermediate being the rate-determining step on the basis of the ${\beta}_{nuc}$ value of 0.37. Enhanced polarizability upon changing the C=O in 4a by C=S has been suggested to be responsible for the reactivity order and the contrasting reaction mechanisms. In contrast, the reactivity of 5a and 5b is similar, but they are much less reactive than 4a and 4b. Furthermore, the reactions of 5a and 5b have been concluded to proceed through the same mechanism (i.e., a concerted mechanism) on the basis of linear Bronsted-type plots with ${\beta}_{nuc}=0.45$ or 0.47. It has been concluded that the strong steric hindrance exerted by the t-Bu in 5a and 5b causes a decrease in their reactivity and forces the reactions to proceed through a concerted mechanism.

• Nuclear Engineering and Technology
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• v.54 no.9
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• pp.3516-3525
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• 2022

The high capture cross-section (𝜎_c) of Gadolinium (Gd-155 and Gd-157) causes reactivity penalty and swing at the initial stage of fuel burnup in Pressurized Water Reactor (PWR). The present study is concerned with the feasibility of the combination of mixed burnable poison with both low and high 𝜎_c as an approach to minimize these effects. Two considered reference designs are fuel assemblies with 24 IBA rods of Gd₂O₃ and Er₂O₃ respectively. Models comprise nuclear fuel with a homogeneous mixture of Er₂O₃, AmO₂, SmO₂, and HfO₂ with Gd₂O₃ as well as the coating of PaO₂ and ZrB₂ on the Gd₂O₃ pellet's outer surface. The infinite multiplication factor was determined and reactivity was calculated considering 3% neutron leakage rate. All models except Er₂O₃ and SmO₂ showed expected results namely higher values of these parameters than the reference design of Gd₂O₃ at the early burnup period. The highest value was found for the model of PaO₂ and Gd₂O₃ followed by ZrB₂ and HfO₂. The cycle burnup, discharge burnup, and cycle length for three batch refueling were calculated using Linear Reactivity Model (LRM). The pin power distribution, energy-dependent neutron flux and Fuel Temperature Coefficient (FTC) were also studied. An optimization of model 1 was carried out to investigate effects of different isotopic compositions of Gd₂O₃ and absorber coating thickness.

• Analytical Science and Technology
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• v.20 no.4
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• pp.339-346
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• 2007

To search the ninhydrin derivatives that have high chromogenic and fluorogenic properties, molecular holographic quantitative structure property relationship (HQSPR) models on the reactivity between glycine and ninhydrin analogues as latent fingerprint detector were derived and investigated quantitatively. The ${\varepsilon}LUMO$ (e.v.) energy of ninhydrin molecule was an important factor to reactivity of ninhydrin. And, it is suggested that the nucleophilic reaction by orbital-controlled reaction from the frontier molecular orbital (FMO) interaction between glycine and ninhydrin derivatives was more superior than that of electrophilic reaction by charged controlled reaction. The analytical results in atomic contribution maps also shows that the reactivity of ninhydrin was increased by meta-substituents as strong electron withdrawing groups on the benzo ring. Therefore, it is sugested by HQSPR and QSPR model that the 5,6-dinitroninhydrin molecule would increase the reactivity as much as three times as compared to none substituted ninhydrin molecule.

• Nuclear Engineering and Technology
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• v.52 no.9
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• pp.1990-1997
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• 2020

To support the safe operation of the Miniature Neutron Source Reactor (MNSR), a thermo-hydraulic transient model using the RELAP5/Mod3.2 code was simulated. The model was verified by comparing the results with the measured and the previously calculated data. The comparisons consisted of comparing the MNSR parameters under normal constant power operation and reactivity insertion transients. Reactivity Insertion Accident (RIA) for three different initial reactivity values of 3.6, 6.0, and 6.53 mk have been simulated. The calculated peaks of the reactor power, fuel, clad and coolant temperatures in hot channel were calculated in this model. The reactor power peaks were: 103 kW at 240 s, 174 kW at 160 s and 195 kW at 140 s, respectively. The fuel temperature reached its maximum value of 116 ℃ at 240 s, 124 ℃ at 160 s and 126 ℃ at 140 s respectively. These calculation results ensured the high inherently safety features of the MNSR under all phases of the RIAs.

• Journal of the Korean Society of Combustion
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• v.10 no.3
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• pp.1-9
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• 2005

The characteristics of co-combustion of Korean anthracite and bituminous coal was determined in a TGA and a lab-scale CFB reactor. The combustion reactivity of Korean anthracite (E = 51.2 kcal/mol) was much lower than that of bituminous coal (E = 14.5 kcal/mol). As the addition amount of the bituminous coal into the anthracite was increased, the reactivity of the anthracite was found to be improved. The effluent rate of the emission gases from the CFB reactor was not changed appreciably when each coal burned. As the bituminous coal was added, however, the effluent rate of the emissions was increased. The unburned carbon in fly ash from the CFB reactor was decreased with increasing the ratio of bituminous coal in co-combustion. But as the ratio of the bituminous coal was larger than 40 %, the combustion reactivity was not increased any more.

• Journal of the Korean Society of Industry Convergence
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• v.5 no.2
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• pp.147-152
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• 2002

Because of the difference of the relative reactivity between two hydroxyl groups of the hydroquinone due to the steric hindrance of the substituent, many combinations of the substituent direction in the polyesters derived from asymmetrical diphenols such as monosubstituted hydroquinones was expected. It was studied how the mode of the direction affected the properties of the resulting polyesters in terms of the transition temperatures of the thermotropic polyesters prepared from terephthalic acid, 2,4-dichloroterephthalic acid, and phenylhydroquinone by the reaction using p-Toluenesulfonylchloride in pyridine. The direction was tried to control the relative reactivity by changing the reaction temperature and addition time of the hydroquinone, and by modifying it through an association of the hydroquinones with DMF.

• Journal of Applied Biological Chemistry
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• v.52 no.4
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• pp.170-173
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• 2009

Vitellogenin (Vtg) is found in the serum of both female and male fish that have been exposed to environmental endocrine disrupters or estrogen hormones, and is used as a biomarker for such contamination. In our current study antibodies raised against the purified flatfish Vtg were tested for their reactivity on immunoblots to flatfish and carp Vtg, and also to a Vtg protein fragment produced in E. coli. Polyclonal antibodies raised against purified flatfish Vtg reacted well with Vtg in the serum of flatfish and carp induced with $17{\beta}$-estradiol, but not with the Vtg protein fragment produced in E. coli.

• 한국연소학회:학술대회논문집
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• 1999.10a
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• pp.183-188
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• 1999

For two engine design parameters; compression ratio and intake swirl ratio, measurement of concentrations of hydrocarbon species has been made as a function of various air-fuel ratio in order to investigate the ozone formation of HC emissions from LPG fuel. Higher compression ratio gave lower SR values due to larger aIkan species and higher BSR values because of larger NMHC generation. Swirl ratio did not affect HC emissions and ozone formation. For ${\lambda}=1.1{\sim}1.2$, higher SR values resulted from the species of aIken which has higher MIRs were highly produced. Leaner mixture showed lower SR values due to the increase of the aIkan which has a lower MIR.

• Journal of the Korean Wood Science and Technology
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• v.35 no.5
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• pp.67-75
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• 2007

As a part of abating the formaldehyde emission of urea-formaldehyde (UF) resin adhesive by lowering formaldehyde to urea (F/U) mole ratio, this study was conducted to investigate properties of UF resin adhesive with different F/U mole ratios. UF resin adhesives were synthesized at different F/U mole ratios of 1.6, 1.4, 1.2, and 1.0. Properties of UF resin adhesives measured were non-volatile solids content, pH level, viscosity, water tolerance, specific gravity, gel time and free formaldehyde content. In addition, a linear relationship between non-volatile solids content and sucrose concentration measured by a refractometer was established for a faster determination of the non-volatile solids content of UF resin. As F/U mole ratio was lowered, non-volatile solids content, pH, specific gravity, water tolerance, and gel time increased while free formaldehyde content and viscosity were decreased. These results suggested that the amount of free formaldehyde strongly affected the reactivity of UF resin. Lowering F/U mole ratio of UF resin as a way of abating formaldehyde emission consequently requires improving its reactivity.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.20 no.2
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• pp.80-84
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• 2010

The temperature-programmed reduction of titanium oxide ($TiO_2$) with pure $CH_4$ was used for the preparation of titanium carbide crystallites. The synthesized materials had the different surface areas, indicating that the structural properties of these materials were strong functions of two different heating rates and space velocity employed. The titanium carbide crystallites were active for $NH_3$ decomposition. Since the reactivity varied with changes in the particle size, ammonia decomposition reactivity over the titanium carbides crystallites appeared to be related to the different active species. The reactivities of titanium carbide crystallites were two and three times lower than those of the vanadium and molybdenum carbide crystallites, respectively. These results suggested that the difference in activities might be related to the degree of electron transfer between metals and carbon.