• Proceedings of the Korean Association of Geographic Inforamtion Studies Conference
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• 2004.03a
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• pp.511-516
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• 2004

수치표고모델, 정사영상과 같은 공간영상정보를 구축하기 위해서는 입체영상을 이동한 영상정합(image matching)의 과정이 필수적이며, 단영상 또는 스테레오 영상을 이용하여 대상물의 3차원 정보를 재구성하고 복원하는 기술은 사진측량 및 컴퓨터 비전 분야의 주요 연구 중의 하나이다. 본 연구에서는 화소값의 유사성과 상호관계성을 고려하는 MRF 모델을 이용하여 영상정합을 수행하였다. MRF 모델은 공간분석이나 물리적 현상의 전후관계(contextural dependencies)의 분석을 위한 확률이론의 한 분야로 다양한 공간정보를 통합할 수 있는 방법을 제공한다. 본 연구에서는 기준영상의 화소에 시차를 할당하는 접근 방법으로 확률모델의 일종인 마르코프 랜덤필드(MRF)모델에 기반한 영상정합기법을 제안하였고, 공간내 화소의 상호관계를 고려해주므로 대상물의 경계부분에서의 매칭 정확도를 향상시켰다. 영상정합문제에서의 MRF 기본가정은 영상 내 특정화소의 시차는 그 주위화소의 시차에 의한 부분정보에 따라 결정이 가능하다는 것이다. 깁스분포(gibbs distribution)를 사용하여 사후(posteriori) 확률값을 유도해내고, 이를 최대사후확률(MAP: Maximum a Posteriori)추정법을 이용하여 에너지함수를 생성하였다. 생성된 에너지함수의 최적화(Optimization)를 위하여 본 연구에서는 전역최적화기법인 multiway cut 기법을 사용하여 영상정합에 있어 에너지함수를 최소로 하는 이미지화소에 대한 시차레이블을 구하여 영상정합을 수행하였다.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.34 no.2
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• pp.157-163
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• 2010

Solid oxide fuel cells (SOFCs) are commonly composed of ceramic compartments, and it is known that the physical properties of the ceramic materials can be changed according to the operating temperature. Thus, the physical properties of the ceramic materials have to be properly predicted to develop a highly reliable simulation model. In this study, several physical properties that can affect the performance of SOFCs were selected, and simulation models for those physical properties were developed using our own code. The Gibbs free energy for the open circuit voltage, exchange current densities for the activation polarization, and electrical conductivity for the electrolyte were calculated. In addition, the diffusion coefficient-including the binary and Knudsen diffusion mechanisms-was calculated for mass transport analysis at the porous electrode. The physical property and electrochemical reaction models were then simulated simultaneously. The numerical results were compared with the experimental results and previous works studied by Chan et al. for code validation.

• Applied Chemistry for Engineering
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• v.34 no.3
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• pp.279-284
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• 2023

Isothermal titration calorimetry (ITC) is a useful technique to obtain thermodynamic binding properties such as enthalpy, Gibbs free energy, entropy, and stoichiometry of the chelation reaction. A single independent binding site model was used to evaluate the thermodynamic binding properties in BaCl₂ and ethylenediaminetetraacetic acid (EDTA) in Trince and HEPES buffers. ITC enables us to elucidate the binding mechanism and find an optimal chelation condition for BaCl₂ and EDTA in the pH range of 7~11. Chelation of BaCl₂ and EDTA is a spontaneous endothermic reaction. As pH increased, entropic contributions dominated. The optimal pH range is narrow around pH 9.0, where 1:1 binding between BaCl₂ and EDTA occurs.

• Journal of Korean Society of Environmental Engineers
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• v.31 no.2
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• pp.125-131
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• 2009

Reductive dechlorination of polychlorinated dibenzo-p-dioxins (PCDDs) and its toxicity change were predicted by the linear free energy relationship (LFER) model to assess the zero-valent iron (ZVI) and anaerobic dechlorinating bacteria (ADB) as electron donors in PCDDs dechlorination. Reductive dechlorination of PCDDs involves 256 reactions linking 76 congeners with highly variable toxicities, so is challenging to assess the overall effect of this process on the environmental impact of PCDD contamination. The Gibbs free energies of PCDDs in aqueous solution were updated to density functional theory (DFT) calculation level from thermodynamic results of literatures. All of dechlorination kinetics of PCDDs was evaluated from the linear correlation between the experimental dechlorination kinetics of PCDDs and the calculated thermodynamics of PCDDs. As a result, it was predicted that over 100 years would be taken for the complete dechlorination of octachlorinated dibenzo-p-dioxin (OCDD) to non-chlorinated compound (dibenzo-p-dioxin, DD), and the toxic equivalent quantity (TEQ) of PCDDs could increase to 10 times larger from initial TEQ with the dechlorination process. The results imply that the single reductive dechlorination using ZVI or ADB is not suitable for the treatment strategy of PCDDs contaminated soil, sediment and fly ash. This LFER approach is applicable for the prediction of dechlorination process for organohalogen compounds and for the assessment of electron donating system for treatment strategies.

• Korean Chemical Engineering Research
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• v.57 no.5
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• pp.679-686
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• 2019

Characteristics of adsorption equilibrium, kinetic and thermodynamic of aniline blue onto activated carbon from aqueous solution were investigated as function of initial concentration, contact time and temperature. Adsorption isotherm of aniline blue was analyzed by Langmuir, Freundlich, Redlich-Peterson, Temkin and Dubinin-Radushkevich models. Langmuir isotherm model fit better with isothermal data than other isotherm models. Estmated Langmuir separation factors ($R_L=0.036{\sim}0.068$) indicated that adsorption process of aniline blue by activated carbon could be an effective treatment method. Adsorption kinetic data were fitted to pseudo first order model, pseudo second order model and intraparticle diffusion models. The kinetic results showed that the adsorption of aniline blue onto activated carbon well followed pseudo second-order model. Adsorption mechanism was evaluated in two steps, film diffusion and intraparticle diffusion, by intraparticle diffusion model. Thermodynamic parameters such as Gibbs free energy, enthalpy and entropy for adsorption process were estimated. Enthalpy change (48.49 kJ/mol) indicated that this adsorption process was physical adsorption and endothermic. Since Gibbs free energy decreased with increasing temperature, the adsorption reaction became more spontaneously with increasing temperature. The isosteric heat of adsorption indicated that there is interaction between the adsorbent and the adsorbate because the energy heterogeneity of the adsorbent surface.

• Proceedings of the Korean Society Of Semiconductor Equipment Technology
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• 2002.11a
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• pp.18-19
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• 2002

Si 웨이퍼제조 시 나오는 페슬러지에서 SiC 연마재와 절삭유를 분리해내면 Si 분말을 얻을 수 있다. 본 연구에서의 SiC는 폐슬러지 Si 분말에 C 분말을 혼합하여 제조할 수 있다. Si-C-O 3성분계는 Si, $SiO_2$, SiC, C 4개의 응축상과 CO, SiO, $CO_2$, $O_2$ 4개의 기체상이 가능하고 생성물들 간의 평형관계를 깁스 자유에너지에 의해 평형 반응식이 계산되어질 수 있다. 계산된 평형 반응식은 2개의 SiO, CO 분압이 각각 X, Y 좌표평면에 나타나는 상안정도를 그려볼 수 있다. 상안정도에서 자유도가 2인 경우는, $SiO_2$가 불안정하므로 SiC와 C가 공존하는 영역에서 온도를 독립 변수로 놓으면 나머지 독립 변수는 SiO 나 CO 기체 분압 둘 중 하나가 되어 하나의 직선으로 나타낼 수 있다. 직선을 경계로 각 응축상들의 안정영역을 하나의 좌표평면에 나타낸 후 온도에 따른 SiC의 안정영역을 알아본다.

• Transactions of the Korean hydrogen and new energy society
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• v.16 no.3
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• pp.244-252
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• 2005

It is very interesting and important in the academic point of view and in practical use the hydrogen-induced phase separation(HIPS) which appears during hydrogen heat treatment. Since hydrogen can be removed very fast by pumping it out the hydrogen-induced new lattice phase which can not be obtained without hydrogen can be preserved as meta-stable state. In this study it has been investigated whether the HIPS appear in Pd-Al, Pd-Co, Pd-Cr, Pd-Ti, Pd-V and Pd-Zr alloys and discussed thermodynamic representation of the HIPS. The Pd alloys were arc-melted under argon atmosphere and remelted 4 or 5 times for homogenization. The alloys were annealed at 600$^{\circ}C$ under vacuum for 24 hrs and then subjected to pressure-composition isotherm measurements at 100$^{\circ}C$. The hydrogen heat treatment(HHT) of samples was carried out at 600$^{\circ}C$ under hydrogen pressure of 70 bar for 6 days and PC isotherms at 100$^{\circ}C$ were measured. By comparing the PC isotherms measured before and after HHT, occurrence of phase separation was determined. The experimental results showed that the HIPS appeared only in Pd-0.05Co alloy. For Pd-Co alloys with various composition the PC isotherms were measured. By adopting Park-Flanagan model for ternary thermodynamics the Gibbs free energy change for Pd-Co-H solid solution was calculated and subsequently with this the HIPS in Pd-Co alloy was explained fairly.

• Korean Chemical Engineering Research
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• v.61 no.4
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• pp.598-603
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• 2023

Electrochemical ammonia production using catalysts offers a promising alternative to the conventional Haber-Bosch process, allowing for ambient temperature and pressure conditions, environmentally friendly operations, and high-purity ammonia production. In this study, we focus on the nitrogen reduction reactions occurring on the surfaces of ruthenium catalysts, employing first-principles calculations. By modeling reaction pathways for nitrogen reduction on the (0001) and (1000) surfaces of ruthenium, we optimized the reaction structures and predicted favorable pathways for each step. We found that the adsorption configuration of N₂ on each surface significantly influenced subsequent reaction activities. On the (0001) surface of ruthenium, the end-on configuration, where nitrogen molecules adsorb perpendicularly to the surface, exhibited the most favorable N₂ adsorption energy. Similarly, on the (1000) surface, the end-on configuration showed the most stable adsorption energy values. Subsequently, through optimized hydrogen adsorption in both distal and alternating configurations, we theoretically elucidated the complete reaction pathways required for the final desorption of NH₃.

• Journal of the Korean Chemical Society
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• v.55 no.3
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• pp.364-372
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• 2011

The corrosion inhibition of imatinib mesylate (IMT) on mild steel in 0.25 M sulphuric acid has been studied using gravimetric and potentiodynamic polarization techniques at various concentrations of inhibitor, temperature and fluid velocities. The results obtained showed that, inhibition efficiency (% IE) increases with increasing concentration of the inhibitor. The adsorption process on mild steel surface follows Langmuir adsorption isotherm. The values of Gibbs free energies of adsorption obtained suggest that, the adsorption process of IMT on mild steel is chemisorption. Thermodynamic parameters were evaluated and discussed. The electron orbital density distribution of HOMO and LUMO of IMT was used to discuss the inhibition mechanism. FT-IR spectroscopy and SEM images were used to analyze the surface adsorbed film.

• Applied Biological Chemistry
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• v.20 no.1
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• pp.101-104
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• 1977

Lipase from Geotrichum candidum was heat inactivated in 0.1M phosphate buffer solution. The thermal inactivation followed first order kinetics for the range of temperatures $50^{\circ}-80^{\circ}C$ except at $50^{\circ}C$. The changes in enthalpy, entropy and Gibbs free energy at $60^{\circ}C$ were 120.4 kJ/mol, 73.0 J/mol K and 96.9 kJ/mol respectively a value of $19^{\circ}C$(Geotrichum candidum lipase) is greater than that of lipases from milk and pancreas. The effect of detergents, lecithin and linoleic acid or the thermal inactivation of lipase was found to be negligible.