• International Journal of Korean Welding Society
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• 제2권2호
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• pp.1-6
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• 2002

This article presents an integrated modeling approach for coupled analysis of heat transfer and microstructure evolution in welding carbon steel. The modeling procedure utilizes commercial finite element code ABAQUS/Standard as the platform for solving the equation of heat conduction. User subroutines that Implement computational thermodynamics and kinetics models are integrated with the FEA code to compute the transient microstructure evolution. In this study, the integrated models are applied to simulate the hot-tap repair welding of carbon steel pipeline. Microstructural components are treated as user output variables. Based on the predicted microstructure and cooling rates, hardness distributions in the welds were also predicted. The predicted microstructure and hardness distribution were found in good agreement with metallographic examinations and hardness measurements. This study demonstrates the applicability of computational models for the development of welding procedure for in-service pipeline repair.

• Bulletin of the Korean Chemical Society
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• 제32권8호
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• pp.2560-2564
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• 2011

Mesoporous silicon dioxide (meso-$SiO_2$) was prepared using cetyltrimethylammonium bromide as the structure-directing reagent and tetraethyl orthosicate as the silicon source. The influence of pH value on the adsorption behavior of bisphenol A (BPA) was investigated. The adsorption capacity of BPA onto meso-$SiO_2$ increases slightly with pH value from 2 to 6, and then gradually decreases as further improving pH value. The effect of temperature was also studied, and the adsorption capacity of BPA gradually declines with increasing temperature. The adsorption kinetics and thermodynamics of BPA were examined. It is found that the adsorption of BPA onto meso-$SiO_2$ is in good agreement with Langmuir adsorption model. The rate constant of adsorption is $5.17{\times}10^{-3}g\;mg^{-1}\;min^{-1}$, and the maximum adsorption capacity is as high as 353.4 $mg\;g^{-1}$ at 20 $^{\circ}C$.

• Nuclear Engineering and Technology
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• 제34권2호
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• pp.117-131
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• 2002

Core disruptive accidents have been investigated at Korea Atomic Energy Research Institute(KAERI) as part of the work to demonstrate the inherent and ultimate safety of conceptual design of the Korea Advanced Liquid Metal Reactor(KALIMER), a 150 MWe pool- type sodium cooled prototype fast reactor that uses U-Pu-Zr metallic fuel. In this study, a simple method and associated computer program, SCHAMBETA, was developed using a modified Bethe-Tait method to simulate the kinetics and thermodynamic behavior of a homogeneous spherical core over the period of the super-prompt critical power excursion induced by the ramp reactivity insertion. Calculations of the energy release during excursions in the sodium-voided core of the KALIMER were subsequently performed using the SCHAMBETA code for various reactivity insertion rates up to 100 S/s, which has been widely considered to be the upper limit of ramp rates due to fuel compaction. Benchmark calculations were made to compare with the results of more detailed analysis for core meltdown energetics of the oxide fuelled fast reactor. A set of parametric studies were also performed to investigate the sensitivity of the results on the various thermodynamics and reactor parameters.

• Membrane and Water Treatment
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• 제12권1호
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• pp.11-21
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• 2021

A novel activated carbon produced from cherry laurel (Laurocerasus officinalisRoem.) seeds (CLSAC) by chemical activation with ZnCl2 was used as an adsorbent to remove Cr(VI) ions from aqueous solutions. CLSAC was characterized by several techniques and the adsorption experiments were performed in a batch model adsorption technique. The effects of various experimental parameters were investigated as a function of solution pH, contact time, initial Cr(VI) concentration, CLSAC concentration, and temperature. The monolayer adsorption capacity of CLSAC was found to be 41.67 mg g-1 for 5.0 g L-1 of CLSAC concentration and, it was concluded that CLSAC can be used as an effective adsorbent for removal of Cr(VI) from waters and wastewaters.

• 반도체디스플레이기술학회지
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• 제7권2호
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• pp.1-5
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• 2008

Silicide formation process and the formation sequence were investigated in this study. It was postulated that the formation of the second silicide phase involves glass formation between the first silicide phase and Si given that a thin metal film is deposited on a Si substrate. The concentration of glass was assumed to be located where the free energy of the liquid alloy with respect to the first nucleated compound and solid Si (${\Delta}$G') is most negative. It was also mentioned that the glass concentration is close to the composition of the second phase in order to achieve the maximum energy degradation. It was shown that the minimum ${\Delta}$G' concentration can be estimated by interpolating the portion of the liquidus where the liquid alloy is in equilibrium with the two solid constituents, namely the first compound phase and Si, thereby forming a hypothetical eutectic.

• Korean Chemical Engineering Research
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• 제55권6호
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• pp.807-815
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• 2017

본 연구에서는 회전증발에서 건조 온도에 따른 파클리탁셀의 잔류 펜탄 제거 효율에 대해 조사하였으며 건조 공정에 대한 동역학 및 열역학적 해석을 수행하였다. 모든 온도(25, 30, 35, 40, $45^{\circ}C$)에서 건조 초기에 많은 양의 잔류용매가 제거되었으며 건조 온도가 증가할수록 건조 효율은 증가하였다. 동역학적 해석을 위해 실험데이터 값을 다섯 종류의 건조 모델식(Newton, Page, Modified Page, Henderson and Pabis, Geometric)에 적용하였으며, 이 중 Henderson and Pabis 모델이 큰 결정계수 값과 작은 평균평방근편차 RMSD 값을 가져 가장 적합함을 확인하였다. 또한 열역학적 해석을 수행한 결과, 회전증발에서의 활성화 에너지 $E_a$는 4.9815 kJ/mol이었으며, 표준 Gibbs 자유에너지 변화(${\Delta}G^0$)는 음수 값인 반면 표준 엔탈피 변화(${\Delta}H^0$)와 표준 엔트로피 변화(${\Delta}S^0$)는 양수 값을 나타내어 건조 공정이 자발적 흡열반응이며 비가역적으로 수행됨을 알 수 있었다.

• 청정기술
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• 제27권3호
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• pp.261-268
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• 2021

석탄계 입상 활성탄(CGAC)에 의한 acid black 1 (AB1) 염료의 평형, 동력학 및 열역학적 특성을 초기농도, 접촉 시간, 온도 및 pH 를 흡착변수로 하여 조사하였다. 활성탄에 의한 AB1의 흡착반응은 산성에서는 활성탄의 표면(H⁺)과 AB1이 가지고 있는 sulfite ion (SO₃^-), nitrite ion (NO₂^-) 사이의 정전기적 인력에 의해 일어났고, 최고 흡착률은 pH 3에서 97.7%였다. AB1의 등온 데이터는 Freundlich 등온식에 가장 잘 맞았으며, 계산된 분리계수(1/n) 값으로부터 활성탄에 의한 AB1의 흡착이 효과적인 처리과정이 될 수 있음을 알았다. Temkin 식의 흡착열 관련상수의 값은 물리 흡착 공정(< 20 J mol^-1)임을 나타냈다. 동역학 실험에서는 유사 2차 모델이 유사 1차 모델보다 더 일관성이 있었으며 추정된 평형 흡착량은 오차 백분율의 9.73% 이내에서 잘 일치하였다. 입자내 확산이 흡착 과정에서 속도 조절 단계였다. 활성화 에너지와 엔탈피 변화값으로부터 흡착반응이 물리흡착으로 진행되는 흡열반응임을 확인하였다. 엔트로피 변화는 활성탄 표면에서 AB1의 흡착이 일어나는 동안 고-액 계면에서 활발한 반응에 의해 엔트로피가 증가하는 것으로 나타났다. 자유에너지 변화는 온도증가와 함께 흡착반응의 자발성이 더 커지는 것을 나타냈다.

• Membrane and Water Treatment
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• 제8권3호
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• pp.259-277
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• 2017

Adsorption is a widely used technique for the removal of dyes from wastewaters by variety of adsorbents. In this work, the main focus is on the potential assessment of anion exchange membrane for the removal of different dyes using batch system and investigation of experimental data by applying various kinetic and thermodynamic models. The removal of anionic dyes i.e., Eosin-B, Eriochrome Black-T and Congo Red by anion exchange membrane BII from aqueous solution was carried out and effect of various parameters such as contact time, membrane dosage, temperature and ionic strength on the percentage removal of anionic dyes was studied. The experimental data was assessed by kinetic models namely pseudo-first-order, pseudo-second-order, Elovich liquid film diffusion, Bangham and the modified Freundlich models equation have been used to analyze the experimental data. These results indicate that the adsorption of these anionic dyes on BII follows pseudo-second-order kinetics with maximum values of regression coefficient (0.992-0.998) for all the systems. The adsorption of dyes was more suitable to be controlled by a liquid film diffusion mechanism. The adsorptive removal of dye Eosin-B and Eriochrome Black-T were decreased with temperature and thermodynamic parameters such as free energy (${\Delta}G^o$), enthalpy (${\Delta}H^o$) and entropy (${\Delta}S^o$) for adsorption of dyes on membrane BII were calculated at 298 K, 308 K and 318 K. The values of enthalpy and entropy were negative for EB and EBT representing that the adsorption of these dyes on BII is physiosorptive and exothermic in nature. Whereas the positive values of enthalpy and entropy for CR adsorption on BII, indicating that its adsorption is endothermic and spontaneous in nature. It is evident from this study that anion exchange membrane has shown good potential for the removal of dyes from aqueous solution and it can be used as adsorbent for dues removal on commercial levels.

• 공업화학
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• 제26권2호
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• pp.210-216
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• 2015

석탄계 입상 활성탄을 사용하여 수용액으로부터 brilliant blue FCF 염료의 흡착에 대해 조사하였다. 회분식 실험은 흡착제의 양, 초기농도와 접촉시간과 온도를 흡착변수로 사용하여 수행하였다. 흡착평형자료는 Langmuir, Freundlich 및 Temkin 식을 사용하여 해석한 결과 Freundlich 식이 가장 좋은 일치도를 나타냈다. 평가된 Freundlich 상수(1/n = 0.129~0.212)로부터 이 흡착공정이 적절한 처리방법이 될 수 있음을 알았다. 흡착속도실험자료를 유사일차 및 유사이차 반응속도식에 적용해 본 결과는 유사이차반응속도식에 잘 맞는 것으로 나타났다. 음수값의 Gibbs 자유에너지(-4.81~-10.33 kJ/mol)와 양수값의 엔탈피(+78.59 kJ/mol)는 흡착이 자발적이고 흡열공정으로 진행된다는 것을 나타냈다.

• Korean Chemical Engineering Research
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• 제53권1호
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• pp.64-70
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• 2015

본 연구는 활성탄에 의한 congo red의 흡착 거동에 대해 회분식 실험을 통해 알아보았다. 흡착변수로 흡착제의 양, pH, 초기농도와 접촉시간과 온도를 사용하였다. 흡착평형자료는 Langmuir, Freundlich, Temkin 및 Dubin-Radushkevich 식에 적용하여 보았다. 평가된 Freundlich 분리계수(1/n)로부터 활성탄에 의한 congo red의 흡착공정이 적절한 처리방법이 될 수 있음을 알았고, Temkin 상수(B)와 Dubinin-Radushkevich 상수(E)로부터 물리흡착공정임을 알았다. 동력학적 실험을 통해 흡착공정이 유사이차반응속도식에 잘 일치함을 알았다. 입상활성탄에 대한 congo red의 흡착공정은 발열반응(${\Delta}H$=42.036 kJ/mol)이었고, Gibbs 자유에너지값(${\Delta}G$=-2.414~-4.596 kJ/mol)은 온도가 증가할수록 감소하였다.