• Bulletin of the Korean Chemical Society
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• v.24 no.12
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• pp.1742-1750
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• 2003

In order to characterize the hydrophobic parameters of N-acetyl amino acid amides in 1-octanol/water, a theoretical calculation was carried out using a solvation free energy density model. The hydrophobicity parameters of the molecules are obtained with the consideration of the solvation free energy over the solvent volume surrounding the solute, using a grid model. Our method can account for the solvent accessible surface area of the molecules according to conformational variations. Through a comparison of the hydrophobicity of our calculation and that of other experimental/theoretical works, the solvation free energy density model is proven to be a useful tool for the evaluation of the hydrophobicity of amino acids and peptides. In order to evaluate the solvation free energy density model as a method of calculating the activity of drugs using the hydrophobicity of its building blocks, the contracture of Bradykinin potentiating pentapeptide was also predicted from the hydrophobicity of each residue. The solvation free energy density model can be used to employ descriptors for the prediction of peptide activities in drug discovery, as well as to calculate the hydrophobicity of amino acids.

• Journal of Radiation Protection and Research
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• v.41 no.4
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• pp.350-353
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• 2016

Background: Various characteristics such as size distribution, chemical component and radio-activity have been analyzed for radioactive aerosols released from Fukushima Daiichi Nuclear Power Plant. Measured results for radioactive aerosols suggest that the potential transport medium for radioactive cesium was non-sea-salt sulfate. This result indicates that cesium isotopes would preferentially attach with sulfate compounds. In the present work the attachment behavior of fission products to aqueous solution aerosols of sodium salts has been studied using a generation system of solution aerosols and spontaneous fission source of $^{248}Cm$. Materials and Methods: Attachment ratios of fission products to the solution aerosols were compared among the aerosols generated by different solutions of sodium salt. Results and Discussion: A significant difference according as a solute of solution aerosols was found in the attachment behavior. Conclusion: The present results suggest the existence of chemical effects in the attachment behavior of fission products to solution aerosols.

• Proceedings of the Korea Committee for Ocean Resources and Engineering Conference
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• 2004.11a
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• pp.7-12
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• 2004

Desalination system of revers osmosis(RO) membrane has been proven to be the most economical not only for the desalination of water containing salts, but also for the concentration of solute. RO membranes were traditionally made of inorganic polymers such. as cellulose acetate(CA), Polyamide(PA). To retain more minerals in deep ocean water, a new hybrid membrane composed of tourmaline film as organic material onto inorganic layer of CA polymer in asymmetric structure was developed for RO membrane process. The performance tests were carried out in the permeability of pure water and the rejection of NaCl solution to evaluate the adaptability for DOW desalination. The results of these basic tests show possibility to apply the new hybrid RO membrane for the desalination with function control.

• Journal of the Korean Ceramic Society
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• v.36 no.5
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• pp.471-477
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• 1999

Fe and Fe-Mo binder were used to produce TiB2 based cermet by a pressureless sintering. The densification behaviour of TiB2-Fe-Mo cermet during liquid-phase sintering in argon was studied in relation to binder phase charactertics. The effects of Mo addition and sintering condition on the sintering behaviour and mechanical properties were also investigated. TiB2-based cermets with Fe-Mo binder composition showed a better sinterability than the cermets with only Fe binder. In TiB2-Fe-Mo cermet higher densities in the wide temperature range were obtained and also fully densified sintered cermet were obtained at 1873K The enhancement in the densification phenomenon of TiB2-Fe-Mo system can be explained by improved liquid phase wettability associated with the roles of Mo components as solute atoms. When Fe-Mo binders were used cermets with a finer grain size and enhanced mechanical properties wereproduced and new phases such as Fe2B and Mo2FeB2 were observed in the sintered cermet. The highest bending strength was obtained from the 20vol% Fe-Mo cermet and these hardness-fracture toughness combination in the wide binder compositions is better than that of TiB2-Fe cermet. In order to improve mechanical properties microstructure control with high purity powders is desirable because high purity powders prevent the formation of Fe2B and Mo2FeB2 phase which comsume the ductile binder phase.

• Journal of applied mathematics & informatics
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• v.11 no.1_2
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• pp.215-241
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• 2003

In this paper, solute transport in heterogeneous aquifers using a modified Fokker-Planck equation (MFPE) is investigated. This newly developed mathematical model is characterised with a time-, scale-dependent dispersivity. A two-dimensional finite volume quadrilateral mesh method (FVQMM) based on a quadrilateral background interpolation mesh is developed for analysing the model. The FVQMM transforms the coupled non-linear partial differential equations into a system of differential equations, which is solved using backward differentiation formulae of order one through five in order to advance the solution in time. Three examples are presented to demonstrate the model verification and utility. Henry's classic benchmark problem is used to show that the MFPE captures significant features of transport phenomena in heterogeneous porous media including enhanced transport of salt in the upper layer due to its parameters that represent the dependence of transport processes on scale and time. The time and scale effects are investigated. Numerical results are compared with published results on the some problems.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.22 no.2
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• pp.184-192
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• 1998

This paper deals with an extended analytical solution for the mixture solidification problem, in which temperature is inherently coupled with the solute transport due to the presence of volume contraction induced flow. A new exact solution to the energy equation accounting for the convection effect in the melt is successfully derived, which allows the present analysis to cover a high initial superheating. Difference in properties between the solid and liquid phases is rigorously incorporated into the model equations in the solid fraction weighted form. Taking advantage of linearized correction factors, a systematic and easy-to-implement algorithm for determining the solidus and liquidus positions is introduced, which proves not only to converge stably but also to be very efficient. For a specific case, the present results show excellent agreements with the existing solution. The effect of convection in the melt becomes appreciable with increasing the initial superheating. It is revealed that variable properties in the mushy region significantly affect the solidification behaviors. The present study is also capable of resolving the interaction between microsegregation and macrosegregation.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.21 no.10
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• pp.1303-1313
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• 1997

A micro-macroscopic analysis on the conduction-controlled directional casting of Al-Cu alloys is performed, in which emphases are placed on the microstructural features. In order to facilitate the solution procedure, an iterative micro-macroscopic coupling algorithm is developed. The predicted results show that the effect of finite back diffusion on the transient solidification process in comparison with the lever rule depends essentially on the initial concentration of an alloy. In the final casting, the eutectic fraction is distributed in an increasing-decreasing-increasing pattern, each mode of which is named the chill, interior and end zones. This nonuniformity per se suffices to justify the necessity of this work because it originates from the combined effects of finite back diffusion and cooling path-dependent nature of the eutectic formation. As the cooling rate is enhanced, not only the influence depths of boundaries narrow, but also the eutectic fractions in the chill and interior zones increase. In addition, it is revealed for the first time that the micro segregation band is formed in response to a sudden change in cooling rate during the directional casting. An increasing change creates an overshooting band in the eutectic fraction distribution, and vice versa.

• Proceedings of the KSME Conference
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• 2004.04a
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• pp.1424-1429
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• 2004

Distillation is one of many processes that can be used for the purification of water. It requires an energy input such as heat and solar radiation is a possible source of energy. In this process, water is evaporated, thus separating water vapor from the solute. The vapor is then condensed to pure water. The temperature of the water, the cavity of the enclosure and the surface of the glass was measured everyday. Fifteen points were chosen for the temperature measure using a thermocouple. The inner wall and the bottom of each still was painted black for good absorption of heat. The enforced glass was used for the cover for the entering of solar energy. The size of all of the water baths was the same, but the glass of the rectangular form had a tilted angle. In the case of fine or general weather, the volume of condensed water produced by $45^{\circ}$ and $60^{\circ}$ is very irregular compared to that of $15^{\circ}$ and $30^{\circ}$, In case of a rainy day, the occurrence of the volume of condensed water was similar to that of $15^{\circ}$ and $30^{\circ}$, but the volume of condensed water produced by $30^{\circ}$ was the highest.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.6 no.1
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• pp.19-31
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• 1996

To invetigate the impurity distribution in GaAs crystal grown by horizontal Bridgman method, we constructd the mathematical model describing heat transfer, mass transfer and fluid flow n transient growth of GaAs. Galerkin finite element method and implicit time integration were used to solve the equations and simulate the transient growth. The concentration distribution is similar to the case of diffusion controlled growth when Gr - 0. With the increase of Gr the concentration profile is distroted and the minimum solute concentration appears near the interface. As solidification prosceeds, interface deflection increases steadily and transverse segregation increases until mixing by flow becomes steady. The axial segregation increases with solidification. But, with high intensity of flow axial segregation becomes steady after short transient. At small and large Gr the result showed a good agreememt with the prediction Smith and Scheil.

• Korean Journal of Agricultural Science
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• v.23 no.2
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• pp.250-260
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• 1996

Observed results of the adsorption between two competing anions for the shared sorption sites represent that the adsorption phenomena may depends on the characteristics of anion and available sorption sites in a given conditions. In binary systems, adsorption of one species can significantly influence the fate of the other anion, resulting in control of the extent of solute-adsorbate distributions throughout soil profile. And the proton-donation mechanisms by organic anions having a carboxyl as a functional group can also influence the adsorption of inorganic anions onto the hydroxylated sites of Fe and Al oxides. However, study of competitive adsorption of specifically adsorbed anions illustrates some of difficulties which arise in interpretation of reactions at oxide/aqueous solution interfaces. At least two factors prevented a simple analysis of reactions. First, at any pH value the maximum amount of adsorbate taken up at the surface depends on the identity of the anion. Second, it was necessary to postulate the sorption sites where the anion can be adsorbed. Hence, anions having non-specific adsorption characteristics are less capable for sorption sites, compared to those of specific adsorption characteristics, even though competition complies both ordinary and electrostatic interactions for sorption sites. Therefore, competition among chemical species in soil matrix can be of major significance in determining the effective mobility of any reactive anions with sorption sites.