• Advances in environmental research
• /
• v.1 no.1
• /
• pp.69-82
• /
• 2012

Based on the measurement data of the particulate matter with an aerodynamic diameter of less than or equal to a nominal 10 ${\mu}m$ (PM10) by the ${\beta}$-ray absorption method (BAM) equipped with an inlet heater and the gravimetric method (GMM) at two coastal sites in Korea, the optimal inlet heater temperature was estimated. By using a gas/particle equilibrium model, Simulating Composition of Atmospheric Particles at Equilibrium 2 (SCAPE2), water content in aerosols was estimated with varying temperature to find the optimal temperature increase to make the PM10 concentration by BAM comparable to that by GMM. It was estimated that the heated air temperature inside the BAM should be increased up to $35{\sim}45^{\circ}C$ at both sites. At this temperature range, evaporation of volatile aerosol components was minor. Similar ($30{\sim}50^{\circ}C$) temperature range was also obtained from the calculation based on the absolute humidity which changed with ambient absolute humidity and chemical composition of hygroscopic species.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
• /
• v.20 no.2
• /
• pp.171-183
• /
• 2022

The parent and daughter nuclides in a radioactive decay chain arrive at secular equilibrium once they have a large half-life difference. The characteristics of this equilibrium state can be used to estimate the production time of nuclear materials. In this study, a mathematical model and algorithm that can be applied to radio-chronometry using the radioactive equilibrium relationship were investigated, reviewed, and implemented. A Bateman equation that can analyze the decay of radioactive materials over time was used for the mathematical model. To obtain a differential-based solution of the Bateman equation, an algebraic numerical solution approach and two different matrix exponential functions (Moral and Levy) were implemented. The obtained result was compared with those of commonly used algorithms, such as the Chebyshev rational approximation method and WISE Uranium. The experimental analysis confirmed the similarity of the results. However, the Moral method led to an increasing calculation uncertainty once there was a branching decay, so this aspect must be improved. The time period corresponding to the production of nuclear materials or nuclear activity can be estimated using the proposed algorithm when uranium or its daughter nuclides are included in the target materials for nuclear forensics.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.10
• /
• pp.1697-1704
• /
• 2007

We present results for transport properties of diatomic fluids by isothermal-isobaric (NpT) equilibrium molecular dynamics (EMD) simulations using Green-Kubo and Einstein formulas. As the molecular elongation of diatomic molecules increases from the spherical monatomic molecule, the diffusion coefficient increases, indicating that longish shape molecules diffuse more than spherical molecules, and the rotational diffusion coefficients are almost the same in the statistical error since random rotation decreases. The calculated translational viscosity decreases with the molecular elongation of diatomic molecule within statistical error bar, while the rotational viscosity increases. The total thermal conductivity decreases as the molecular elongation increases. This result of thermal conductivity for diatomic molecules by EMD simulations is again inconsistent with the earlier results of those by non-equilibrium molecular dynamics (NEMD) simulations even though the missing terms related to rotational degree of freedom into the Green-Kubo and Einstein formulas with regard to the calculation of thermal conductivity for molecular fluids are included.

• Structural Engineering and Mechanics
• /
• v.3 no.4
• /
• pp.299-312
• /
• 1995

A new reinforcing steel model which is embedded inside a concrete element and also accounts for the effect of bond-slip is developed. Unlike the classical bond-link or bond-zone element using double nodes, the proposed model is considering the bond-slip effect without taking double nodes by incorporation of the equivalent steel stiffness. After calculation of nodal displacements, the deformation of steel at each node can be found through the back-substitution technique from the first to the final steel element using a governing equation constructed based on the equilibrium at each node of steel and the compatibility condition between steel and concrete. This model results in significant savings in the number of nodes needed to account for the effect of bond-slip, in particular, when the model is used for three dimensional finite element problems. Moreover a new nonlinear solution scheme is developed in connection with this model. Finally, correlation studies between analytical and experimental results and several parameter studies are conducted with the objective to establish the validity of the proposed model.

• Journal of Institute of Convergence Technology
• /
• v.2 no.2
• /
• pp.30-34
• /
• 2012

The SI thermochemical cycle process accomplishes water splitting through distinctive three chemical reactions. We focused on thermodynamic models applicable to the process. Recently, remarkable models based on the assumed ionic species have been developed to describe highly nonideal behavior on the liquid phase reactions. ElecNRTL models with ionic reactions were proposed in order to provide reliable process simulation results for phase equilibrium calculations in Section II and III. In this study, the current thermodynamic models of SI thermochemical cycle process were briefly described and the calculation results of the applied ElecNRTL models for phase equilibrium calculations were illustrated for binary systems.

• 한국전산유체공학회:학술대회논문집
• /
• 2006.10a
• /
• pp.13-17
• /
• 2006

RoeM and AUSMPW+ schemes are two of the most accurate and efficient schemes which are recently developed for the analysis of single phase gas dynamics. In this paper, we developed two-phase versions of these schemes for the analysis of gas-liquid large density ratio two-phase flow. We adopt homogeneous equilibrium model (HEM) using mass fraction to describe different two phases. In the Eulerian-Eulerian framework, HEM assumes dynamic and thermal equilibrium of the two phases in the same computational mesh. From the mixture equation of state (EOS), we derived new shock-discontinuity sensing term (SDST), which is commonly used in RoeM and AUSMPW+ for the stable numerical flux calculation. The proposed two-phase versions of RoeM and AUSMPW+ schemes are applied on several air-water two-phase test problems. In spite of the large discrepancy of material properties such as density, enthalpy, and speed of sound, the numerical results show that both schemes provide very satisfactory solutions.

• Corrosion Science and Technology
• /
• v.5 no.6
• /
• pp.206-212
• /
• 2006

The effects of sub-ppm levels of $H_2S$ and the adsorbed water on the atmospheric corrosion of silver were studied with In situ weight balance to study the effect of the adsorbed water on the kinetic behavior and to determine the rate-controlling step, with XPS to analyze the tarnish film, and with calculation of phase equilibrium to predict the stable solid phase, the concentrations of dissolved species ($Ag^-$, $H^+$, $S^{2-}$, $HS^-$) and the equilibrium potentials ($E_{Ag^+/Ag}$, $E_{H^+/H_2}$, $E_{O_2/O^{2-}$). The results of weight measurements showed that oxygen was required for the sulfidation of silver in 100 ppb $H_2S$ and humidified environments enhanced the tarnished rate and oxidizing power. In addition, the rate determining step for tarnishing silver was shown to be changed to transport though the tarnish film.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.10
• /
• pp.2931-2936
• /
• 2013

This paper presents results for the calculation of transport properties of noble gases (He, Ne, Ar, Kr, and Xe) at 273.15 K and 1.00 atm using equilibrium molecular dynamics (EMD) simulations through a Lennard-Jones (LJ) intermolecular potential. We have utilized the revised Green-Kubo formulas for the stress (SAC) and the heat-flux auto-correlation (HFAC) functions to estimate the viscosities (${\eta}$) and thermal conductivities (${\lambda}$) of noble gases. The original Green-Kubo formula was employed for diffusion coefficients (D). The results for transport properties (D, ${\eta}$, and ${\lambda}$) of noble gases at 273.15 and 1.00 atm obtained from our EMD simulations are in a good agreement with the rigorous results of the kinetic theory and the experimental data. The radial distribution functions, mean square displacements, and velocity auto-correlation functions of noble gases are remarkably different from those of liquid argon at 94.4 K and 1.374 $g/cm^3$.

• Transactions of the Korean Society of Mechanical Engineers B
• /
• v.29 no.1 s.232
• /
• pp.159-168
• /
• 2005

In recent studies, it was reported that there existed the temperature discontinuity at a liquid-vapor interface in an equilibrium state. However, from the viewpoint of the classical thermodynamics, it is highly questionable result although considering that the experiments related with a boundary layer is very difficult due to the extremely thin thickness of it. To clarify whether the temperature discontinuity over a liquid-vapor interface really exists, the computer simulations were performed. From the simulation results, it could be concluded that the misconception in a temperature calculation might result in non-uniform temperature distributions over an interface under an equilibrium state.

• Journal of the Korean Society of Safety
• /
• v.7 no.1
• /
• pp.13-19
• /
• 1992

Supercritical fluid technology was applied to the regeneration of industrial catalyst contaminated with toxic materials. The regeneration process of activated loaded with phenol was proposed, then the adsorphon tower was packed with the activated carbon-bed. Phenol diffuses into supercritical carbon dioxide(SCC) through the micro-pore and voldge of the activated carbon. The saturated solubility of phenol in SCC depended on the density of SCC varing with temperature and pressure conditions. Therefore, the fasile phase equilibrium calculation model of dxpanded liquid One was proposed, and equilibrium solubility of phenol in SCC was calculated using the model theoretically. The regeneration mechanism of activated carbon was analysed by degree of saturation of phenol and diffusion in SCC. The solubility prediction was more satisfactory for the wide range of SCC density than the dense gas model and the desorption of phenol depended on the degree of saturation of phenol in SCC.