• Journal of The Korean Astronomical Society
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• v.49 no.1
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• pp.1-8
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• 2016

The aim of this study is to describe the physical processes taking place in the solar photosphere. Based on 3D hydrodynamic simulations including a detailed radiation transfer scheme, we investigate thermodynamic structures and radiation fields in solar surface convection. As a starting model, the initial stratification in the outer envelope calculated using the solar calibrations in the context of the standard stellar theory. When the numerical fluid becomes thermally relaxed, the thermodynamic structure of the steady-state turbulent flow was explicitly collected. Particularly, a non-grey radiative transfer incorporating the opacity distribution function was considered in our calculations. In addition, we evaluate the classical approximations that are usually adopted in the onedimensional stellar structure models. We numerically reconfirm that radiation fields are well represented by the asymptotic characteristics of the Eddington approximation (the diffusion limit and the streaming limit). However, this classical approximation underestimates radiation energy in the shallow layers near the surface, which implies that a reliable treatment of the non-grey line opacities is crucial for the accurate description of the photospheric convection phenomenon.

• Journal of the Korean Ceramic Society
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• v.27 no.4
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• pp.543-547
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• 1990

Numerous researchers have observed the bubble fromation at SiC/SiO2 interface from 130$0^{\circ}C$ to 1$700^{\circ}C$. According to thermodynamic calculation, the bubble could be formed from the microscopic impurities which result from the chemical vapor deposition of SiC. When C-impurity is present at the interface, it is calculated that the bubble is formed at 1511$^{\circ}C$ and when Si is present, the bubble is formed at 177$0^{\circ}C$. These results are very close to the prior observations, but the calculation can not explain the observation of bubble below 150$0^{\circ}C$.

• Proceedings of the Membrane Society of Korea Conference
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• 2003.07a
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• pp.77-80
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• 2003

Hydrocarbon-hydrocarbon separations are one of the most important processes in petroleum refining. Distillation process has been used for separating hydrocarbons, but this conventional process is very energy consuming. Pervaporation separation through polymeric membranes is an emerging process alternative to distillation because of energy savings, compact system installation, reduced capital investment, and other performance attributes. In hydrocarbon separations, polymeric membranes are easily swollen by hydrocarbons and can lose mechanical strength. Chemically robust membranes are needed for the separation of hydrocarbons. In this study, the blend membrane was applied to separate benzene and cyclohexane. This is a model system for aliphatic and aromatic separation. Cyclohexane is also physically very similar to benzene and as a result of the very closing boiling points (0.6$^{\circ}C$), benzene and cyclohexane form an azetrope. Thus the system provides a good model for azeotrope breaking by pervaporation. The semi-quantitative thermodynamic model predicts that the calculated selectivity increases with increasing Hydrin contents in the blend membranes. Pervaporation experiments utilizing various operating temperatures and feed concentrations with different blend membranes are compared with the result from semi-quantitative thermodynamic calculations.

• Journal of the Korean institute of surface engineering
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• v.23 no.4
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• pp.225-229
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• 1990

Solubility Products of metal oxides, such as Al2O3 and UO2 in KCl-LiCl eutectic composition was calculated by using an exact an exact thermodynamic. The values for Al2O3 ThO2 and UO2 were found to be 2.51$\times$10-27, 4.97$\times$10-15and 2.17$\times$10-12in mole per liter basis at 743 K, respectively. The correlation of theoretical values with those of experiment were in good agreement. It is worth to note that the exact cycle method was proved to be satisfactory in making predictions of solubillities and also solubility products of sparingly soluble metal oxides in an ionic salt system.

• Korean Chemical Engineering Research
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• v.57 no.3
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• pp.368-371
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• 2019

Using first principles calculations we investigated the thermomechanical stability of spent nuclear fuels (SNF), especially how mechanical properties of $UO_2$, such as, bulk, shear and Young's moduli and Poisson's ratio vary through alpha-decay of U into Th with generation of He gas. Our results indicate that substitution of U by Th through alpha decay ($U_{1-x}Th_xO_2$) does not significantly affect the stability of the grain in a fuel matrix. In addition, we studied the transport properties of He in and boundaries of the $U_{1-x}Th_xO_2$ grain. Helium preferentially resides at the grain boundaries through diffusion. Our study can contribute to substantial reduction of environmentally risk and enhancement of our sustainability by safe control of radioactive materials.

• The Magazine of the Society of Air-Conditioning and Refrigerating Engineers of Korea
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• v.16 no.5
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• pp.477-483
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• 1987

A FORTRAN code has been developed to calculate thermodynamic properties of 12 kinds of refrigerants. Input variables are temperature and pressure or temperature only depending on the saturation. The program output properties are specific volume, saturation pressure, enthalpy, entropy, specific heats and speed of sound. Sample calculations show that output properties are in very good agreements with thermodynamic tables and charts.

• Bulletin of the Korean Chemical Society
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• v.35 no.3
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• pp.798-804
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• 2014

We present calculations for diglycine - $(H_2O)_n$ (n = 0-3) to examine the effects of microsolvating water on the relative stability of the zwitterionic vs. canonical forms of the dipeptide. We calculate the structures, energies and Gibbs free energies of the conformers at wB97XD/6-311++G** and MP2/aug-cc-pvdz levels of theory level of theory. We predict that microsolvation by up to three water molecules does not give thermodynamic stability of the zwitterion relative to the canonical forms. Our calculations also suggest that zwitterionic diglycine - $(H_2O)_3$ is not stable kinetically in low temperature gas phase environment.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.87.1-87.1
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• 2017

High functional catalyst to efficiently produce clean and earth-abundant renewable fuels plays a key role in securing energy sustainability and environmental protection of our society. Hydrogen has been considered as one of the most promising energy carrier as represented by focused research works on developing catalysts for the hydrogen evolution reaction (HER) from the water hydrolysis over the last several decades. So far, however, the major catalysts are expensive transition metals. Here using first principles density functional theory (DFT) calculations we screen various pyrites for HER by identifying fundamental descriptor governing the catalytic activity. We enable to capture a strong linearity between experimentally measured exchange current density in HER and calculated adsorption energy of hydrogen atom in the pyrites. The correlation implies that there is an underlying design principle tuning the catalytic activity of HER.

• Nuclear Engineering and Technology
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• v.34 no.2
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• pp.117-131
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• 2002

Core disruptive accidents have been investigated at Korea Atomic Energy Research Institute(KAERI) as part of the work to demonstrate the inherent and ultimate safety of conceptual design of the Korea Advanced Liquid Metal Reactor(KALIMER), a 150 MWe pool- type sodium cooled prototype fast reactor that uses U-Pu-Zr metallic fuel. In this study, a simple method and associated computer program, SCHAMBETA, was developed using a modified Bethe-Tait method to simulate the kinetics and thermodynamic behavior of a homogeneous spherical core over the period of the super-prompt critical power excursion induced by the ramp reactivity insertion. Calculations of the energy release during excursions in the sodium-voided core of the KALIMER were subsequently performed using the SCHAMBETA code for various reactivity insertion rates up to 100 S/s, which has been widely considered to be the upper limit of ramp rates due to fuel compaction. Benchmark calculations were made to compare with the results of more detailed analysis for core meltdown energetics of the oxide fuelled fast reactor. A set of parametric studies were also performed to investigate the sensitivity of the results on the various thermodynamics and reactor parameters.

• Bulletin of the Korean Chemical Society
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• v.30 no.7
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• pp.1667-1670
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• 2009