• Journal of the Korean Society for Heat Treatment
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• v.9 no.4
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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.

• Proceedings of the Korea Association of Crystal Growth Conference
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• 1998.09a
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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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• v.8 no.2
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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.

• Journal of the Korean Electrochemical Society
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• v.12 no.1
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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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• v.9 no.1
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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.

• Proceeding of EDISON Challenge
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• 2014.03a
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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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• v.2 no.2
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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.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.9 no.1
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• pp.80-83
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• 1999

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 of the substrate temperature for a diamond deposition 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 porcess variables.

• Corrosion Science and Technology
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• v.9 no.4
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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.

• Resources Recycling
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• v.28 no.3
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• pp.15-20
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• 2019

The recovery of struvite using nitrogen and phosphorus in wastewaters is useful for prevention of eutrophication and use as fertilizer, but there are theoretical and technical issues to be resolved. Through the detailed literature review, this study discusses the possible reasonable prediction of struvite formation reaction by setting a feasible reaction equation with some theoretical considerations. In a technical aspect, the purity of struvite in solid precipitates can be promoted by excluding Ca in an effective way. As for the struvite reaction prediction issue, selection of proper equilibrium reaction as well as its reaction equilibrium coefficient is significant in the neutral and basic pH regions. The equilibrium reaction agrees well with the experimental batch test results. Considering the charge balance of the ions, the pH drop along struvite formation in a diluted solution can be predicted. Also, improvement of struvite purity through elimination of Ca can be expected by providing a highly concentrated ${NH_4}^+-N$ relative to ${HPO_4}^{2-}-P$ because ${NH_4}^+$ can enhance the thermodynamic driving force toward favorable struvite formation. Even though the phosphate reacts rapidly with Ca to form a solid precipitate, the thermodynamic driving force due to the high ${NH_4}^+$ activity can dissociate the phosphate-calcium precipitates and produce struvite.