• 열처리공학회지
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• 제9권4호
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• pp.243-251
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• 1996

Dilatometric experiment and thermodynamic calculation have been performed to determine $M_s$, $A_s$ and driving forces for ${\gamma}{\rightarrow}{\varepsilon}$ martensitic transformation of Fe-Mn alloys. The transformation temperatures($M_s$, $A_s$, $T_o) were decreased with increasing manganese content and were newly formulated as a function of manganese content. Driving force for ${\gamma}{\rightarrow}{\varepsilon}$ martensitic transformation was increased from -75J/mole to -105J/mole with increasing manganese content from 15wt.% to 25wt.%. Transformation temperature hysteresis($A_s-M_s$) was also increased from 50K to 80K with increasing mangenese content from 15wt.% to 25wt.%. The small driving force(-75J/mole~-105J/mole) and small ${\Delta}T$(50K~80K) for ${\gamma}{\rightarrow}{\varepsilon}$ martensitic transformation indicated that Fe-Mn alloys behave like thermoelastic martensitic alloys : We would like to call them semi-thermoelastic martensitic alloys.

• 한국결정성장학회:학술대회논문집
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• 한국결정성장학회 1998년도 PROCEEDINGS OF THE 15TH KACG TECHNICAL MEETING-PACIFIC RIM 3 SATELLITE SYMPOSIUM SESSION 4, HOTEL HYUNDAI, KYONGJU, SEPTEMBER 20-23, 1998
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• pp.1-20
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• 1998

Processing of thin films by chemical vapor deposition (CVD) is accompanied by chemical reactions, in which the rigorous kinetic analysis is difficult to achieve. In these conditions, thermodynamic calculation leads to better understanding of the CVD process and helps to optimise the experimental parameters to obtain a desired product. A CVD phase diagram has been used as guide lines for the process. By determining the effect of each process variable on the driving force for deposition, the thermodynamic limit for the substrate temperature that diamond can deposit is calculated in the C-H system by assuming that the limit is defined by the CVD diamond phase diagram. The addition of iso-supersaturation ratio lines to the CVD phase diagram in the Si-Cl-H system provides additional information about the effects of CVD process variables.

• Bulletin of the Korean Chemical Society
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• 제8권2호
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• pp.118-122
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• 1987

The micelle formation of NaDC was studied by fluorometric and viscometric measurements. The thermodynamic parameters of the primary and secondary micellization of the bile salt were evaluated. The primary micelle formation was appeared to be an entropy driven process due to hydrophobic effect, while the major driving force for secondary micelle formation of the bile salt is the large negative enthalpy. The secondary micelle provides less hydrophobic environment to pyrene than the primary micelle does. The cooperative aggregation of primary micelles via hvdrogen bond formation was proposed for the secondary micelle formation.

• 전기화학회지
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• 제12권1호
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• pp.1-10
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• 2009

This article reviewed transport behaviours of electroactive species in ionic compounds, focusing on chemical diffusion of Li through the transition metal oxide in a current flowing condition. For this purpose, a distinction has been first briefly made between migration and diffusion with respect to current, driving force and charge of electroactive species considered. Then, the equations for chemical diffusion are derived theoretically in open-circuit and current flowing conditions. Finally, the experimental methods such as ac impedance spectroscopy and current (potential) transient techniques are described in details for characterising chemical diffusion. In addition, the role of the thermodynamic enhancement factor in chemical diffusion is discussed.

• Macromolecular Research
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• 제9권1호
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• pp.51-65
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• 2001

Two-stage emulsion polymerizations of hydrophobic monomers on hydrophilic seed polymer particles were carried out to make core-shell composite particles. It was found that the loci of polymerization in the second stage were the surface layer of the hydrophilic seed latex particles, and that it has resulted in the formation of either eccentric core-shell particles with the core exposed to the aqueous phase or aggregated nonspherical composite particles with the shell attached on the seed surface as many small separated particles. The driving force of these phenomena is related to the gain in free energy of the system in going from the hydrophobic polymer-water interface to hydrophilic polymer-water interface. Thermodynamic analysis of the present polymerization system, which was based on spreading coefficients, supported the likely occurrence of such nonspherical particles due to the combined effects of interfacial free energies and phase separation between the two polymer phases. A hypothetical pathway was proposed to prepare hydrophilic core-hydrophobic shell composite latex particles, which is based on the concept of opposing driving and resistance forces for the phase migration. It was found that the viscosity of the monomer-swollen polymer phase played important role in the formation of particle morphology.

• EDISON SW 활용 경진대회 논문집
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• 제3회(2014년)
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• pp.237-249
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• 2014

Deposition of amyloid-${\beta}$ ($A{\beta}$) proteins is the conventional pathological hallmark of Alzheimer's disease (AD). The $A{\beta}$ protein formed from the amyloid precursor protein is predominated by the 40 residue protein ($A{\beta}40$) and by the 42 residue protein ($A{\beta}42$). While $A{\beta}40$ and $A{\beta}42$ differ in only two amino acid residues at the C-terminal end, $A{\beta}42$ is much more prone to aggregate and exhibits more neurotoxicity than $A{\beta}40$. Here, we investigate the molecular origin of the difference in the aggregation propensity of these two proteins by performing fully atomistic, explicit-water molecular dynamics simulations. Then, it is followed by the solvation thermodynamic analysis based on the integral-equation theory of liquids. We find that $A{\beta}42$ displays higher tendency to adopt ${\beta}$-sheet conformations than $A{\beta}40$, which would consequently facilitate the conversion to the ${\beta}$-sheet rich fibril structure. Furthermore, the solvation thermodynamic analysis on the simulated protein conformations indicates that $A{\beta}42$ is more hydrophobic than $A{\beta}40$, implying that the surrounding water imparts a larger thermodynamic driving force for the self-assembly of $A{\beta}42$. Taken together, our results provide structural and thermodynamic grounds on why $A{\beta}42$ is more aggregation-prone than $A{\beta}40$ in aqueous environments.

• International Journal of Aeronautical and Space Sciences
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• 제2권2호
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• pp.65-72
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• 2001

This paper demonstrates an explicit-implicit, finite element analysis for linear as well as nonlinear hygrothermal stress problems. Additional features, such as moisture diffusion equation, crack element and virtual crack extension(VCE) method for evaluating J-integral are implemented in this program. The Linear Elastic Fracture Mechanics(LEFM) Theory is employed to estimate the crack driving force under the transient condition for an existing crack. Pores in materials are assumed to be saturated with moisture in the liquid form at the room temperature, which may vaporize as the temperature increases. The vaporization effects on the crack driving force are also studied. The ideal gas equation is employed to estimate the thermodynamic pressure due to vaporization at each time step after solving basic nodal values. A set of field equations governing the time dependent response of porous media are derived from balance laws based on the mixture theory. Darcy's law is assumed for the fluid flow through the porous media. Perzyna's viscoplastic model incorporating the Von-Mises yield criterion are implemented. The Green-Naghdi stress rate is used for the invariant of stress tensor under superposed rigid body motion. Isotropic elements are used for the spatial discretization and an iterative scheme based on the full Newton-Raphson method is used for solving the nonlinear governing equations.

• 한국결정성장학회지
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• 제9권1호
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• pp.80-83
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• 1999

화학증착에 의한 박막 제조에서는 화학반응을 수반되어 엄밀한 속도론적 분석이 어렵다. 이러한 경우는 열역 학적인 분석이 화학증착공정을 이해하는데 더 유용하고 원하는 박막을 제조하기 위한 최적공정조건을 결정함에 있어서 도 도움이 된다. 이러한 이유로 화학증착 상태도가 사용되어 왔다. 본 연구에서는 C-H 계와 Si-Cl-H 계의 열역학적 분 석을 통하여 열역학이 어떻게 화학증착 공정에 응용될 수 있는가를 보여주려고 하였다. 각 공정변수가 증착 구동력에 미 치는 효과를 결정함으로서, C-H 계에서 다이아몬드가 증착될 수 있는 열역학적인 한계를 계산하였다. Si-Cl-H 계에서는 동 과포화도 곡선을 계산함으로써 화학증착 공정변수의 효과에 대한 부가적인 정보를 얻을 수 있었다.

• Corrosion Science and Technology
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• 제9권4호
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• pp.164-170
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• 2010

Thermodynamic consideration was performed for Alloy 617 exposed to an impure helium ($H_2$ 20pa, $H_2O$ 0.5pa, $CH_4$ 2pa and CO 5pa) at $950^{\circ}C$. Oxidation power was decreased in the order Al > Ti > Si > Cr > Mn. Decarburization and carburization reactions were available leading to carbon activity decrease and increase, respectively, depending on carbon and Cr activities. The thermodynamic prediction was compared with the experimental results obtained in similar conditions (($H_2$ 20pa, $H_2O$ 0.05pa, $CH_4$ 5pa and CO 2pa) and $950^{\circ}C$) by others for Alloy 617. The driving force for oxidation of Al, Ti and Si is very large to be oxidized at a given impure helium and the environment is actually carburizing towards the structural alloy, which is consistent with this work.

• 자원리싸이클링
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• 제28권3호
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• pp.15-20
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• 2019

폐수내 질소와 인을 이용한 struvite 회수는 수계 부영양화 방지 및 비료자원화에 효과적인 기술이나, 해결해야 할 이론 및 기술적 문제점이 있다. 본 연구에서는, 기존 문헌의 상세한 검토를 통하여, 이론적 측면에서 적절한 반응식 선정 및 이론적 고찰을 이용한 struvite 생성 반응예측 가능성을 논의하고, 기술적 측면에서는 struvite 생성의 대표적인 저해물질인 Ca의 배제를 통해 struvite 결정의 순도를 높일 수 있는 효과적인 방법을 소개하려 한다. 반응예측 측면에서는 중성~염기성 pH 영역에서 효과적인 struvite 반응식 및 반응계수를 이용, 정량적 모델을 구축할 수 있다. 이러한 모델은 실제 회분식 실험결과와 잘 일치하며 특히 이온들의 charge balance도 함께 고려하여 struvite 생성시 희석된 수용액에서 흔히 동반되는 pH 저하를 합리적으로 예측할 수 있다. 한편, Ca의 배제를 통한 struvite 순도 향상은 ${HPO_4}^{2-}-P$ 대비 고농도의 ${NH_4}^+-N$을 조성하여 해결할 수 있는데, 이는 고농도 암모늄 이온의 존재가 struvite 생성 관련 열역학적 구동력을 강화시켜 인산염이 Ca 대신 고농도 암모니아와 용이하게 반응하여 struvite 생성에 유리한 이온환경을 조성하기 때문이다. 즉 인산염이 $Ca^{2+}$과 빠르게 반응하여 이미 침전물이 형성하였을지라도, 고동도 암모늄으로 인한 열역학적 구동력으로 인산-칼슘 침전물이 재용해 되어 struvite를 생성시킬 수 있다.