• Bulletin of the Korean Chemical Society
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• v.13 no.1
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• pp.32-36
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• 1992

The gas-phase pyrolysis reactions of 2-alkoxypyrimidines(II), 2-alkoxypyrazines(III), 4-ethoxypyrimidine(IV) and 3-ethoxypyridazine(V) are investigated theoretically using the AM1 MO method. These compounds pyrolyze in a concerted retro-ene process with a six-membered cyclic transition state (TS). The relative order of reactivity if (IV)>(II)>(III)>(V), which can be rationalized by the two effects arising from electron-withdrawing power of the aza-substituent: (ⅰ) Electron withdrawal from the C-O bond accelerates the rate and (ⅱ) electron withdrawal from the $N^1$-atom, that is participating in the six-membered TS, deactivates the reaction. We are unable to explain the experimental result of the greatest reactivity for pyridazine, (V), with our AM1 results. The reactivity increase accompanied by successive methylation of the ethoxy group, ethoxytert-butoxy, is due to a release of steric crowding in the activation process.

• Journal of Korean Society for Atmospheric Environment
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• v.23 no.3
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• pp.286-296
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• 2007

Ozone creation potentials suited for Seoul metropolitan area was derived by utilizing the PAMS monitoring data and the source inventory. A simple box model with variable height was developed to calculate the incremental reactivity for all the ozone episode days in the year 2003 and 2004. RIR (Relative Incremental Reactivity) was introduced as a measure of contribution to ozone generation in the Seoul metropolitan area. RIR was defined as a function of ratio of VOC to $NO_x$ and therefore it addresses both VOC and $NO_x$ limited regime. For the days that more than 10 monitoring stations out of 27 monitoring station in Seoul recorded the daily maximum ozone concentrations higher than 70 ppb, toluene had the highest RIR value in all the type II and type III PAMS site and m/p-xylene followed with the second highest RIR value. Analyses using MIR (Maximum Incremental Reactivity) and POCP (Photochemical Ozone Creation Potential) instead of RIR also yields dominance of toluene and m/p-xylene in generating ozone concentrations to demonstrate the validity of RIR.

• Bulletin of the Korean Chemical Society
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• v.12 no.5
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• pp.510-514
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• 1991

Second-order rate constants have been determined spectrophotometrically for reactions of S-p-nitrophenyl substituted thiobenzoates with various phenoxide ions and S-aryl substituted thiobenzoates with $HO^-$ ion. Thiol esters have been found to be more reactive than the corresponding oxygen esters toward phenoxide ions. The high reactivity of thiol esters relative to oxygen esters becomes insignificant as the basicity of the nucleophile increases. Furthermore, the highly basic $HO^-$ ion is less reactive toward thiol esters than oxygen esters. The significant dependence of the reactivity of thiol esters on the basicity of nucleophiles has been attributed to the nature of the HSAB principle. The present kinetic study has also revealed that the reactivity of thiol esters compared to oxygen esters is not so pronounced as expected based on the enhanced nucleofugicity of thiol esters. However, the effects of substituents in the nucleophile and in the acyl moiety of the substrate on rate appear to be significant. These kinetic results have led to a conclusion that the present reactions proceed via a rate-determining formation of a tetrahedral intermediate followed by a fast breakdown of it. The magnitude of the ${\beta}$ values shows no tendency either to increase or to decrease with the intrinsic reactivity of the reagents. The constancy of ${\beta}$ values in the present system is suggestive that the RSP should have limited applicability.

• Nuclear Engineering and Technology
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• v.56 no.4
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• pp.1165-1203
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• 2024

In the paper we validate theoretical models of the pulse against experimental data from the Jozef Stefan Institute TRIGA Mark II research reactor. Data from all pulse experiments since 1991 have been collected, analysed and are publicly available. This paper summarizes the validation study, which is focused on the comparison between experimental values, theoretical predictions (Fuchs-Hansen and Nordheim-Fuchs models) and calculation using computational program Improved Pulse Model. The results show that the theoretical models predicts higher maximum power but lower total released energy, full width at half maximum and the time when the maximum power is reached is shorter, compared to Improved Pulse Model. We evaluate the uncertainties in pulse physical parameters (maximum power, total released energy and full width at half maximum) due to uncertainties in reactor physical parameters (inserted reactivity, delayed neutron fraction, prompt neutron lifetime and effective temperature reactivity coefficient of fuel). It is found that taking into account overestimated correlation of reactor physical parameters does not significantly affect the estimated uncertainties of pulse physical parameters. The relative uncertainties of pulse physical parameters decrease with increasing inserted reactivity. If all reactor physical parameters feature an uncorrelated uncertainty of 10 % the estimated total uncertainty in peak pulse power at 3 $ inserted reactivity is 59 %, where significant contributions come from uncertainties in prompt neutron lifetime and effective temperature reactivity coefficient of fuel. In addition we analyse contribution of two physical mechanisms (Doppler broadening of resonances and neutron spectrum shift) that contribute to the temperature reactivity coefficient of fuel. The Doppler effect contributes around 30 %-15 % while the rest is due to the thermal spectrum hardening for a temperature range between 300 K and 800 K.

• Journal of the Korean Chemical Society
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• v.45 no.1
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• pp.51-60
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• 2001

One-pot Mannich reaction of substituted hydroxy aromatic compounds with secondary amines in an aprotic solvent has been studied. The results demonstrate that the relative reactivity and regioselectivity of the Mannich reaction depend on the steric hindrance of amines as well as the nucleophilicity of hydroxy aromatic rings.

• Journal of the Korea Institute of Military Science and Technology
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• v.20 no.2
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• pp.300-305
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• 2017

In this paper, we performed a evaluation for angular and energy dependence of military radiation detector PDR-1K. Its measuring range is divided into two section, low and high, and each range has a GM tube separately owing to broad scale. We observed a change in relative angular reactivity within 0.928 ~ 1.188 in low range and within 0.743 ~ 1.000 in high range from $-90^{\circ}$ to $+90^{\circ}$. The evaluation for energy dependence appeared a relative reactivity within 0.892 ~ 1.000 above 83 keV. This means PDR-1K isn't possible to use below 83 keV of radiation energy. It is possible to provide response information to user and to increase reliability of radiation measurement through this paper.

• The Journal of the Korean Society for Microbiology
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• v.18 no.1
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• pp.91-98
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• 1983

The effect of subcutanecus injection of Corynebacterium parvum($700{\mu}g$) on cellular and humoral immune responses when given at various time relative to sheep red blood cell(SRBC) sensitization were studied by the evaluation of Arthus, delayed-type hypersensitivity(DTH), rosette forming cell, hemagglutinin and hemolysin reactions. Arthus reactivity(3 hours) developed in control mice and test mice pretreated with C. parvum 8 days prior to intravenous sensitization with SRBC were similar. However, there was slight depression of reactivity when C. parvum was given subcutaneoutly(s.c.) 4 or 2 days prior to SRBC sensitization. Arthus reactivity was significantly depressed when C. parvum was given s.c. either at the same time as, or 2 days later than, antigen. DTH reaction was net depressed significantly when C. parvum was injected 8 or 2 days prior to SRBC sensitization or at the same time as antigen. In contrast DTH was significantly augmented when C. parvum given s.c. 4 days prier to SRBC sensitization. DTH was depressed when C. parvum was given s.c. 2 days after antigen. No significant change occurred in rosette forming percetages of spleen cell when C. parvum was given s.c. 8, 4 or 2 days before SRBC sensitization. In contrast, a significant reduction in percentages of rosette forming cell occurred when C. parvum was given s.c. either at the same time as, or 2 days later than, antigen. Serum hemaggulutinin and hemolysin titers were not significantly affected by subcutaneous injection of C. parvum regardless of time relative to SRBC sensitization. However, mercaptoethanol-resistant hemaggulutinin and hemolysin(IgG) titers were somewhat augmented when C. parvum was given 2 days after antigen. It is concluded from these results that depending on the time and route of inoculation, C. parvum can enhance or depress immune responses in mice, suggesting the time and route of C. parvum inoculation is an important point of concern about clinical use of C. parvum for the treatment of cancer.

• Nuclear Engineering and Technology
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• v.54 no.6
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• pp.2048-2054
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• 2022

The coolant temperature feedback coefficient is an important parameter of reactor core power control system. To study the coolant temperature feedback coefficient influence on the core power control system of small PWR, the core power control system is built with the nonlinear model and fuzzy control theory. Then, the uncertainty quantification method of reactor core parameters is established based on the Latin hypercube sampling method and the Bootstrap method. Finally, under the conditions of reactivity step perturbation and coolant inlet temperature step perturbation, uncertainty analysis for two cases is carried out. The result shows that with fuzzy controller and fuzzy PID controller, the uncertainty of the coolant temperature feedback coefficient affects the core power control system, and the maximum uncertainties of core relative power, coolant temperature deviation, fuel temperature deviation and total reactivity are acceptable.

• Nuclear Engineering and Technology
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• v.54 no.10
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• pp.3897-3908
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• 2022

High-fidelity nuclear data libraries and neutronics simulation tools are essential for the development of fast reactors. The IAEA coordinated research project on "Neutronics Benchmark of CEFR Start-Up Tests" offers valuable data for the qualification of nuclear data libraries and neutronics codes. This paper focuses on the verification and validation of the CEFR start-up modelling using OpenMC Monte-Carlo code against the experimental measurements. The OpenMC simulation results agree well with the measurements in criticality, control rod worth, sodium void reactivity, temperature reactivity, subassembly swap reactivity, and reaction distribution. In feedback coefficient evaluations, an additional state method shows high consistency with lower uncertainty. Among 122 relative errors in the benchmark of the distribution of nuclear reaction, 104 errors are less than 10% and 84 errors are less than 5%. The results demonstrate the high reliability of OpenMC for its application in fast reactor simulations. In the companion paper, the influence of cross-section libraries is investigated using neutronics modelling in this paper.

• Journal of Hydrogen and New Energy
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• v.29 no.5
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• pp.503-511
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• 2018

There have been many studies of combustion in the circulating fluidized bed. However, little study is available for combustion of wood pellet together fed with wood chip. The mixed ratio of two fuels is an useful information when thermal power company would receive the Renewable Energy Portfolio Standard (RPS) from government. In this study, the combustion behavior and kinetics of such biomass fuels are evaluated using fluidized bed reactor and thermogravimetric analyzers. The mixing ratio of wood chip relative to wood pellet was varied at different temperatures. The results show that a combustion reactivity changed significantly at the wood chip mixing ratio of 40%, particularly at low temperature condition.