• Journal of the Korean Physical Society
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• 제73권11호
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• pp.1612-1618
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• 2018

In this work, the ground-state properties of an interacting electron gas confined in a two-dimensional quantum dot system with the Gaussian potential ${\upsilon}(r)=V_0(1-{\exp}(-r^2/p))$, where $V_0$ and p are confinement parameters, are determined numerically by using the Thomas-Fermi approximation. The shape of the potential is modified by changing the $V_0$ and the p values, and the influence of the confining potential on the system's properties, such as the chemical energy, the density profile, the kinetic energy, the confining energy, etc., is analyzed for both the non-interacting and the interacting cases. The results are compared with those calculated for a harmonic potential, and excellent agreement is obtained in the limit of high p values for both the non-interacting and the interacting cases.

• 한국의류학회지
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• 제17권3호
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• pp.380-390
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• 1993

Effect of interfacial electrical conditions on adhesion of ${\alpha}-Fe_2O_3$ particles to PET fabric and the removal of ${\alpha}-Fe_2O_3$ particles from PET fabric, were investigated as functions of pH, electrolyte and ionic strength. The ${\zeta}$ potential of PET fiber and ${\alpha}-Fe_2O_3$ particles in the electrolyte solution were measured by streaming potential and microelectrophoresis methods respectively. The potential energy of interaction between ${\alpha}-Fe_2O_3$ particles and PET fabric were calculated by using the heterocoagulation theory for a sphere-plate model. The negative ${\zeta}$ potential of ${\alpha}-Fe_2O_3$ particle and PET fiber increased with pH, and then decreased certain pH and isoelectric points of ${\alpha}-Fe_2O_3$ particles and PET fiber were pH 6.5 and pH 3.5, respectively. The negative ${\zeta}$ potential of ${\alpha}-Fe_2O_3$ particle and PET fiber affected by electrolytes, were relatively high with polyanion electrolytes in solutions and were low with neutral salts. However, at surfactant solution, ${\zeta}$ potential was levelled off. The influence of the ionic strength on the ${\zeta}$ potential of ${\alpha}-Fe_2O_3$ particle was small but the negative ${\zeta}$ potential of PET fiber increased with the ionic strength. In the presence of anionic surfactant, the ${\zeta}$ potential of ${\alpha}-Fe_2O_3$ particle and PET fiber increased regardless of solution conditions. The interaction energy between ${\alpha}-Fe_2O_3$ particle and PET fabric increased with pH. The interaction energy was relatively high with polyanion electrolytes in solution, and the influence of ionic strength on the interaction energy was small, and the effective thickness of electrical double layer increased with decreasing the ionic strength.

• 전기화학회지
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• 제11권4호
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• pp.227-241
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• 2008

This article involves a unified treatment of equilibrium thermodynamics of the chemical reaction coupled with other interfacial (phase boundary) reactions. The modified (restrictive) chemical potential ${\mu}_k^+$, such as electrochemical potential, hydrostatic-chemical (mechanochemical) potential (exceptionally in the presence of the pressure difference) and surface-chemical potential, was first introduced under the isothermal and isobaric conditions. This article then enlightened the equilibrium conditions in case where the release of chemical energy is counterbalanced by the supply of electrical energy, by the supply of hydrostatic work (exceptionally in the presence of ${\Delta}p$), and finally by the release of surface energy, respectively, at constant temperature T and pressure p in terms of the modified chemical potential ${\mu}_k^+$. Finally, this paper focussed on the difference between chemical and electrochemical equilibria based upon the fundamentals of the isothermal and isobaric equilibrium conditions described above.

• Bulletin of the Korean Chemical Society
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• 제31권2호
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• pp.365-371
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• 2010

The multiconfiguration molecular mechanics (MCMM) algorithm was used to generate potential and vibrationally adiabatic energy surfaces for excited-state tautomerization in the 1:1 7-azaindole:$H_2O$ complex. Electronic structures and energies for reactant, product, transition state were computed at the CIS/6-31G(d,p) level of theory. The potential and vibrationally adiabatic energies along the reaction coordinate were generated step by step by using 16 high-level Shepard points, which were computed at the CIS/6-31G(d,p) level. This study shows that the MCMM method was applied successfully to make quite reasonable potential and adiabatic energy curves for the excited-state double proton transfer reaction. No stable intermediates are present in the potential energy curve along the reaction coordinate of the excited-state double proton transfer in the 1:1 7-azaindole:$H_2O$ complex, indicating that these two protons are transferred concertedly. The change in the bond distances along the reaction coordinate shows that two protons move very asynchronously to make an $H_3O^+$-like moiety at the transition state.

• Bulletin of the Korean Chemical Society
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• 제24권6호
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• pp.763-770
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• 2003

The $BH_5$ molecule, which is suggested as an intermediate of the acidolysis of $BH_4^-$, contains a weak two-electron-three-center bond and it requires extremely high-level of theories to calculate the energy and structure correctly. The structures and energies of $BH_5$ and the transition state for the hydrogen scrambling have been studied using recently developed multi-coefficient correlated quantum mechanical methods (MCCMs). The dissociation energies and the barrier heights agree very well with the previous results at the CCSD(T)/ TZ(3d1f1g, 2p1d) level. We have also calculated the potential energy curves for the dissociation of $BH_5$ to $BH_3$ and $H_2$. The lower levels of theory were unable to plot correct potential curves, whereas the MCCM methods give very good potential energy curves and requires much less computing resources than the CCSD(T)/ TZ(3d1f1g,2p1d) level. The potential energy of the $BH_5$ scrambling has been obtained by the multiconfiguration molecular mechanics algorithm (MCMM), and the rates are calculated using the variational transition state theory including multidimensional tunneling approximation. The rate constant at 300 K is 2.1 × $10^9s^{-1}$, and tunneling is very important.

• Corrosion Science and Technology
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• 제12권6호
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• pp.280-287
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• 2013

Flow accelerated corrosion(FAC) of the carbon steel piping in pressurized water reactors(PWRs) has been major issue in nuclear industry. Severe accident at Surry Unit 2 in 1986 initiated the worldwide interest in this area. Major parameters influencing FAC are material composition, microstructure, water chemistry, and hydrodynamics. Qualitative behaviors of FAC have been well understood but quantitative data about FAC have not been published for proprietary reason. In order to minimize the FAC in PWRs, the optimal method is to control water chemistry factors. Chemistry factors influencing FAC such as pH, corrosion potential, and hydrazine contents were reviewed in this paper. FAC rate decreased with pH up to 10 because magnetite solubility decreased with pH. Corrosion potential is generally controlled dissolved oxygen (DO) and hydrazine in secondary water. DO increased corrosion potential. FAC rate decreased with DO by stabilizing magnetite at low DO concentration or by formation of hematite at high DO concentration. Even though hydrazine is generally used to remove DO, hydrazine itself thermally decomposed to ammonia, nitrogen, and hydrogen raising pH. Hydrazine could react with iron and increased FAC rate. Effect of hydrazine on FAC is rather complex and should be careful in FAC analysis. FAC could be managed by adequate combination of pH, corrosion potential, and hydrazine.

• Nuclear Engineering and Technology
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• 제31권6호
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• pp.595-607
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• 1999

The reaction cross-sections of $^{nat}$Ti(p,X)$^{48}$ V, $^{nat}$Fe(p,X)$^{56}$ Co, $^{nat}$Cu(p,X)$^{65}$ Zn and $^{nat}$Mo(p,X)$^{96}$ Tc for TLA application are calculated in the frame of the ECIS-GNASH code system up to 60 MeV. The calculated results are compared with the experimental data taken from the EXFOR at the NEA Data Bank. A preliminary calculation with the global optical parameters of Varner et al. shows considerable differences from the experimental data at low energy range. The global optical parameters for the imaginary volume potential and the diffuseness of the imaginary potential are adjusted to achieve a better description of the experimental data in the vicinities of peak position below 16 MeV. 16 MeV.

• 한국세라믹학회지
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• 제27권1호
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• pp.109-117
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• 1990

Magnetite for Water-based ferrofluid was synthesized by air oxidation of aqueous suspension in the pH range 7-12 at $65^{\circ}C$. The optimum condition of magneite formation was delineated by examining various physicochemcial properties such as Fe2+ content, phase characteristics, MHC and $\sigma$max. The point of zero charge of iron oxide powders obtained at various pH conditions were correlated with the oxidation state of Fe in the iron oxide. The magnetite powder prepared at pH 9 ws dispersed using sodium oleate and sodium dodecylbenzenesulfonate (SDBS) as dispersants, and the dispersion characteristics of the magnetite ferrofluid were examined by means of the fraction of solid dispersed, zeta potential data and FT-IR spectrum. A simple calculation on the potential energy of two interacting magnetite particles showed that the dispersion stability was directly correlated with height of the potential energy barrier or the shape of zeta potential.

• East Asian mathematical journal
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• 제37권5호
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• pp.619-626
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• 2021

In [1, 2], we studied the string-like system with time-varying delay. Unlike the string system, the plate system must consider both longitudinal and transverse strains. First, we consider the physical phenomenon of an axially moving plate concerning kinetic energy, potential energy, and work dones. By the energy conservation law in physics, we have a nonlinear plate-like system with internal time delay.

• East Asian mathematical journal
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• 제37권1호
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• pp.141-147
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• 2021

In [1], we studied the PDE system with time-varing delay. Time delay occurs due to loosening in a high-speed moving axially directed membrane (string, belt, or plate) at production. Our purpose in this work derives a mathematical model with internal time delay. First, we consider the physical phenomenon of axially moving membrane with respect to kinetic energy, potential energy and work done. By the energy conservation law in physics, we get the second order nonlinear PDE system with internal time delay.