• Nuclear Engineering and Technology
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• 제51권6호
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• pp.1487-1503
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• 2019

The methods and performance of a pin-level nuclear reactor core thermal-hydraulics (T/H) code ESCOT employing the drift-flux model are presented. This code aims at providing an accurate yet fast core thermal-hydraulics solution capability to high-fidelity multiphysics core analysis systems targeting massively parallel computing platforms. The four equation drift-flux model is adopted for two-phase calculations, and numerical solutions are obtained by applying the Finite Volume Method (FVM) and the Semi-Implicit Method for Pressure-Linked Equation (SIMPLE)-like algorithm in a staggered grid system. Constitutive models involving turbulent mixing, pressure drop, and vapor generation are employed to simulate key phenomena in subchannel-scale analyses. ESCOT is parallelized by a domain decomposition scheme that involves both radial and axial decomposition to enable highly parallelized execution. The ESCOT solutions are validated through the applications to various experiments which include CNEN $4{\times}4$, Weiss et al. two assemblies, PNNL $2{\times}6$, RPI $2{\times}2$ air-water, and PSBT covering single/two-phase and unheated/heated conditions. The parameters of interest for validation include various flow characteristics such as turbulent mixing, spacer grid pressure drop, cross-flow, reverse flow, buoyancy effect, void drift, and bubble generation. For all the validation tests, ESCOT shows good agreements with measured data in the extent comparable to those of other subchannel-scale codes: COBRA-TF, MATRA and/or CUPID. The execution performance is examined with a mini-sized whole core consisting of 89 fuel assemblies and for an OPR1000 core. It turns out that it is about 1.5 times faster than a subchannel code based on the two-fluid three field model and the axial domain decomposition scheme works as well as the radial one yielding a steady-state solution for the OPR1000 core within 30 s with 104 processors.

• 한국수소및신에너지학회논문집
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• 제13권2호
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• pp.143-150
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• 2002

The thermal behavior of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ prepared by a co-precipitation wasinvestigated for Hz generation by the thermochemical cycle. The reduction reaction of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ started from $480^{\circ}C$, and the weight loss was 1.6 wt% up to $1100^{\circ}C$. At this reaction, $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ was reduced by release of oxygen bonded with the $Fe^{3+}$ ion in the B site of ($CO_{0.5}$ $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$. In the $H_2O$ decomposition reaction, $H_2$ was generated by oxidationof reduced $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$. The crystal structure of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ for reduction reaction maintained spinel structure and the lattice constant of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ ($8.41\AA$) was enlarged to $8.45\AA$. But the lattice constant of $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ after $H_2O$ decomposition reaction did not change to $8.45\AA$. Then, $(Co_{0.5}\;Mn_{0.5})Fe_2O_4$ is excellent material in the thermochemical cyclic reaction due to release oxygen at low temperature for the reduction reaction and produce $H_2$ maintaining crystal structure for redox reaction.

• Bulletin of the Korean Chemical Society
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• 제31권7호
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• pp.1988-1992
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• 2010

4-Amino-1,2,4-triazole copper complex (4-ATzCu) was synthesized, and its thermal behaviors, nonisothermal decomposition reaction kinetics were studied by DSC and TG-DTG techniques. The thermal decomposition reaction kinetic equation was obtained as: $d\alpha$ / dt =$10^{22.01}$ (1-$\alpha$)[-ln(1-$\alpha$)]$^{1/3}$ exp($-2.75\times10^4$ /T). The standard mole specific heat capacity of the complex was determined and the standard molar heat capacity is 305.66 $J{\cdot}mol^{-1}{\cdot}K^{-1}$ at 298.15 K. The entropy of activation $({\Delta}S^{\neq})$, enthalpy of activation $({\Delta}H^{\neq})$, and Gibbs free energy of activation $({\Delta}G^{\neq})$ are calculated as 171.88 $J{\cdot}mol^{-1}{\cdot}K^{-1}$ 225.81 $kJ{\cdot}mol^{-1}$ and 141.18 $kJ{\cdot}mol^{-1}$, and the adiabatic time-to-explosion of the complex was obtained as 389.20 s.

• Bulletin of the Korean Chemical Society
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• 제24권6호
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• pp.853-858
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• 2003

The reaction mechanism of the pyrolysis of sulphonyl oximes ($CH_3-C_6H_4-S(O)_2O-N=C(H)-C_6H_4Y$), in the gas phase is studied theoretically at HF/3-21G, ONIOM (B3LYP/6-31G**:HF/3-21G) and ONIOM (MP2/6- 31G**:HF/3-21G) levels. All the calculations show that the thermal decomposition of sulphonyl oximes is a concerted asynchronous process via a six-membered cyclic transition state. The activation energies (Ea) predicted by ONIOM (B3LYP/6-31G**: HF/3-21G) method are in good agreement with the experimental results for a series of tosyl arenecarboxaldoximes. Five para substituents, Y = $OCH_3$, $CH_3$, H, Cl, and $NO_2$, are employed to investigate the substituent effect on the elimination reaction. Linear Hammett correlations are obtained in all calculations in contrast to the experimental finding.

• 대한화학회지
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• 제48권4호
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• pp.358-366
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• 2004

두개의 sulphato로 다리걸친 착물 $[Cr_2(NH_2)_2(H_2O)_2(SO_4)_2]{\cdot}2H_2O$, 말단 3개의 isocyanato $[Cr(NCO)_3(H_2O)]{\cdot}3H_2O$ 화합물과 갈철광 $[FeO(OH)]{\cdot}0.2H_2O$ 화합물들은 각각의 $Cr_2(SO_4)_3{\cdot}xH_2O, Cr(CH_3COO)_3, Fe_2(SO_4)_3$과 $80^{\circ}C$, 수용액에서 요소와 반응으로 합성되었다. 생성물들의 IR 스펙트럼에서 요소(urea)의 띠가 나타나지 않지만, 결합된 아마이드(amide), 물, 연결된 sulphato와 isocyanato 그룹에 대해서 특징적인 띠를 보인다. 착물들에 대한 열무게분석(TG)과 시차열분석법(DTA) 측정을 기록하였다. 얻어진 데이터들은 예상했던 구조화 잘 일치한다. 형성에 대한 설명과 화합물의 열역학적 분해에 대한 일반적인 메커니즘을 제시하였다.

• 한국전기전자재료학회논문지
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• 제31권7호
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• pp.469-474
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• 2018

In this study, the capacity and FTIR of polycarbonate film that was degraded for 2, 4, and 8 h in a thermostat at $180^{\circ}C$ was measured. The results of this study are as follows. It was found that the capacity decreased with increasing degradation time and frequency. This findings suggest that the attraction between molecules and amorphous polycarbonate increased because it contains the ketone group (-C=O-) and the chain of dioxides group (-O-R-O-). Measurement by FTIR found that the time of thermal degradation has a smaller impact because the transmutation or variation of the material does not occur. Measurement by SEM magnified 1,000 times found that a longer thermal degradation time results in thermal decomposition of the specimen's particles.

• 한국진공학회:학술대회논문집
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• 한국진공학회 1995년도 제8회 학술발표회 논문개요집
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• pp.113-113
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• 1995

The adsorpption and decompposition of NO on a stepped ppt(111) surface have been studied using thermal desorpption sppectroscoppy and Auger electron sppectroscoppy. NO adsorbs molecularly in two different states of the terrace and the stepp, which are distinguishable in thermal desorpption sppectra. NO dissociates via a bent sppecies at the stepp sites on the basis of vibrational sppectrum data repported ppreviously. The dissociation of NO is activation pprocess : the activation energy is estimated to be about 2 kcal/mol. Increase in the NO dissociation with adsorpption tempperature is expplained by a pprocess controlled by different of the dissociated atomic nitrogen from the stepp to the terrace of the surface. In addition to No and N2, the desorpption ppeak of N2O is observed. We conclude that the formation of N2O is attributed to surface reaction of No and N adsorbed on the surface.

• 대한화학회지
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• 제54권2호
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• pp.192-197
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• 2010

형광체나 반도체의 소자로 사용되는 전이금속화합물 중에서 나노(nano) 크기를 가지는 스피넬 화합물을 합성하였다. 스피넬 화합물의 크기, 합성여부, 열적분석과 화합물의 특성을 확인하기 위하여 열 중량 분석기(TGA), X-선 회절 분석기(XRD), 적외선 흡수 분광기(IR)를 사용하였다. Scherrer식을 이용하여 화합물의 평균 입자 크기가 13~16 nm임을 예측할 수 있었다. 본 논문에 사용된 실험방법은 졸-겔(sol-gel)법을 사용하였으며, 소성 온도는 낮은 온도에서 진행 되었다($350^{\circ}C$). Kinetic 함수인 활성화 에너지와 전환인자를 계산하기 위해서 Kissinger방법과 Arrhenius식을 이용하여 계산하였다. $ZnCo_2O_4$와 $NiCo_2O_4$의 활성화 에너지는 163.42 kJ/mol와 147.01 kJ/mol 값을 가지는 있음을 확인하였다. 그리고 spinel 화합물들의 열역학적 함수(${\Delta}G^{\varphi}$, ${\Delta}H^{\varphi}$, ${\Delta}S^{\varphi}$)를 결정하였다.

• 통합자연과학논문집
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• 제2권4호
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• pp.285-288
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• 2009

A synthetic route for 12 metal thiocarboxylate complex, $Cd(SOCCH_3)_2Lut_2$ [Lut = 3,5-dimethylpyridine (lutidine)], were investigated for their potential to act as precursors for the formation of cadmium sulfide nanoparticles. $Cd(SOCCH_3)_2Lut_2$ were characterized by 1H-NMR spectroscopy. Thermal decomposition of $Cd(SOCCH_3)_2Lut_2$ is expected to undergo thiocarboxylic anhydride elimination to give stoichiometric cadmium sulfide nanoparticles and removes the organic supporting ligands cleanly. Prepared cadmium sulfide nanoparticles were characterized by fluorescence and UV-vis absorption spectroscopy and displayed an emission band at 500 nm with an excitation wavelength of 360 nm.

• Bulletin of the Korean Chemical Society
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• 제29권6호
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• pp.1217-1223
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• 2008

A series of Zr,S co-doped $TiO_2$ were synthesized by a modified sol-gel method and characterized by various spectroscopic and analytical techniques. The presence of sulfur caused a red-shift in the absorption band of $TiO_2$. Co-doping of sulfur and zirconium (Zr-$TiO_2$-S) improves the surface properties such as surface area, pore volume, and pore diameter and also enhances the thermal stability of the anatase phase. The Zr-$TiO_2$-S systems are very effective visible-light active catalysts for the degradation of toluene. All reactions follow pseudo firstorder kinetics with the decomposition rate reaching as high as 77% within 4 h. The catalytic activity decreases in the following order: Zr-$TiO_2$-S >$TiO_2$-S >Zr-$TiO_2$>$TiO_2$$\approx$ P-25, demonstrating the synergic effect of codoping with zirconium and sulfur. When the comparison is made within the series of Zr-$TiO_2$-S, the catalytic performance is found to be a function of Zr-contents as follows: 3 wt % Zr-TiO2-S >0.5 wt % Zr-$TiO_2$-S> 5 wt % Zr-$TiO_2$-S >1 wt % Zr-$TiO_2$-S. Higher calcination temperature decreases the reactivity of Zr-$TiO_2$-S.