• Bulletin of the Korean Chemical Society
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• v.20 no.10
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• pp.1136-1144
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• 1999

The collision-induced reaction of gas-phase atomic hydrogen with hydrogen atoms chemisorbed on a silicon (001)-(2×1) surface is studied by use of the classical trajectory approach. The model is based on reaction zone atoms interacting with a finite number of primary system silicon atoms, which then are coupled to the heat bath, i.e., the bulk solid phase. The potential energy of the Hads‥Hgas interaction is the primary driver of the reaction, and in all reactive collisions, there is an efficient flow of energy from this interaction to the Hads-Si bond. All reactive events occur on a subpicosecond scale, following the Eley-Rideal mechanism. These events occur in a localized region around the adatom site on the surface. The reaction probability shows the maximum near 700K as the gas temperature increases, but it is nearly independent of the surface temperature up to 700 K. Over the surface temperature range of 0-700 K and gas temperature range of 300 to 2500 K, the reaction probability lies at about 0.1. The reaction energy available for the product states is small, and most of this energy is carried away by the desorbing H2 in its translational and vibrational motions. The Langevin equation is used to consider energy exchange between the reaction zone and the bulk solid phase.

• Journal of the Korean Magnetic Resonance Society
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• v.22 no.4
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• pp.139-143
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• 2018

Short antimicrobial peptide, A4W, have been studied by molecular dynamics (MD) simulation in an explicit dodecylphosphocholine (DPC) micelle. Peptide was aligned with DPC micelle and transferred new peptide-micelle coordinates within the same solvent box using specific micelle topology parameters. After initial energy minimization and equilibration, the conformation and orientation of the peptide were analyzed from trajectories obtained from the RMD (restrained molecular dynamics) or the subsequent free MD. Also, the information of solvation in the backbone and the side chain of the peptide, hydrogen bonding, and the properties of the dynamics were obtained. The results showed that the backbone residues of peptide are either solvated using water or in other case, they relate to hydrogen bonding. These properties could be a critical factor against the insertion mode of interaction. Most of the peptide-micelle interactions come from the hydrophobic interaction between the side chains of peptide and the structural interior of micelle system. The interaction of peptide-micelle, electrostatic potential and hydrogen bonding, between the terminal residues of peptide and the headgroups in micelle were observed. These interactions could be effect on the structure and flexibility of the peptide terminus.

• Nuclear Engineering and Technology
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• v.54 no.8
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• pp.2960-2973
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• 2022

Since Fukushima nuclear power plant (NPP) accident in 2011, the importance of research on various severe accident phenomena has been emphasized. Particularly, detailed analysis of combustion risk is necessary following the containment damage caused by combustion in the Fukushima accident. Many studies have been conducted to evaluate the risk of local hydrogen concentration increases and flame propagation using computational code. In particular, the potential for combustion by local hydrogen concentration in specific areas within the containment has been emphasized. In this study, the process of flame propagation generated inside a reactor core to containment during a loss of coolant accident (LOCA) was analyzed using MELCOR 2.1 code. Later in the LOCA scenario, it was expected that hydrogen combustion occurred inside the reactor core owing to oxygen inflow through the cold leg break area. The main driving force of the oxygen intrusion is the elevated containment pressure due to the molten corium-concrete interaction. The thermal and mechanical loads caused by the flame threaten the integrity of the containment. Additionally, the containment spray system effectiveness in this situation was evaluated because changes in pressure gradient and concentrations of flammable gases greatly affect the overall behavior of ignition and subsequent containment integrity.

• Nuclear Engineering and Technology
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• v.55 no.5
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• pp.1742-1756
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• 2023

The hydrogen behavior in a nuclear containment vessel is a significant issue when discussing the potential of hydrogen combustion during a severe accident. After the Fukushima-Daiichi accident in Japan, we have investigated in-depth the hydrogen transport mechanisms by utilizing experimental and numerical approaches. Computational fluid dynamics is a powerful tool for better understanding the transport behavior of gas mixtures, including hydrogen. This paper describes a Large-eddy simulation of gas mixing driven by a high-buoyancy flow. We focused on the interaction behavior of heat and mass transfers driven by the horizontal high-buoyant flow during density stratification. For validation, the experimental data of the Containment InteGral effects Measurement Apparatus (CIGMA) facility were used. With a high-power heater for the gas-injection line in the CIGMA facility, a high-temperature flow of approximately 390 ℃ was injected into the test vessel. By using the CIGMA facility, we can extend the experimental data to the high-temperature region. The phenomenological discussion in this paper helps understand the heat and mass transfer induced by the high-buoyancy flow in the containment vessel during a severe accident.

• Korean Chemical Engineering Research
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• v.60 no.3
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• pp.356-362
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• 2022

Research related to hydrogen technology is being actively conducted around the world. Korea is also making great efforts to develop technology to leap forward as a hydrogen economy powerhouse. In particular, the world's No. 1 hydrogen vehicle penetration rate is proof of this. However, the construction of hydrogen refueling stations is being delayed. The biggest delay factor is the public opposition. As such, policies without public support cannot be successfully implemented and are not sustainable. Therefore, this study intends to analyze the factors affecting the acceptability of hydrogen refueling stations in favor of and against them. As a research method, the basic factors affecting acceptability were identified by reviewing previous studies, and a questionnaire was designed and investigated based on the established factors. The validity and reliability of the questionnaire were verified, and the hypothesis was verified through correlation analysis. And, using structural equation modeling, a factor model was developed on the acceptability of hydrogen refueling stations. As a result of the study, acceptability defined private acceptability and public acceptability. In the case of private acceptability, it was confirmed that the higher the attitude toward the environment, the higher the level of knowledge about the hydrogen charging station, and the lower the degree of feeling the risk of the hydrogen charging station, the higher the acceptability. In the case of public acceptability, it was confirmed that the higher the benefit, the better the attitude toward the environment, and the lower the risk-taking characteristics of the individual, the higher the acceptability. Therefore, in this study, based on the potential factors verified in previous studies, the main factors affecting the acceptance on hydrogen refueling stations were identified. And the acceptance model was developed using structural equation modeling. This study is expected to provide basic data to seek ways to improve the acceptance of public when implementing national policies such as hydrogen refueling stations, and to be used analysis data for scientific communication.

• Applied Chemistry for Engineering
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• v.34 no.3
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• pp.307-312
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• 2023

In this study, a catalytic oxidation-heat recovery system was designed that can remove unreacted with a concentration of about 1% to 6% in the exhaust gas of hydrogen fuel cells and recover heat to ensure safety in the hydrogen economy. The safety system was devised by filling hydrogen oxidation catalysts at room temperature that can remove unreacted hydrogen without any energy source, and an exhaust-heat recovery device was integrated to efficiently recover the heat released from the oxidation reaction. Through CFD analysis, variations in pressure and fluid within the system were shown depending on the filling conditions of the hydrogen oxidation system. In addition, it was found that waste heat could be recovered by optimizing the temperature of the exhaust gas, flow rate, and pressure conditions within the heat recovery system and securing hot water above 40 ℃ by utilizing the exhaust gas oxidation heat source above 300 ℃. Through this study, it was possible to confirm the potential of utilizing hydrogen processes, which are applied in small to medium-sized systems such as hydrogen fuel cells, as a safety system by evaluating them at a pilot scale. Additionally, it could be a safety guideline for responding to unexpected hydrogen safety accidents through further pilot-scale studies.

• Journal of the Korean Institute of Illuminating and Electrical Installation Engineers
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• v.20 no.7
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• pp.46-52
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• 2006

The effects of surface treatment on the hydrogen storage properties of a $Mg_2Ni$ alloy particle were investigated by the microvoltammetric technique, in which a carbon-filament microelectrode was manipulated to make electrical contact with the particle in a KOH aqueous solution. It was found that the hydrogen storage properties of $Mg_2Ni$ at room temperature were improved by the surface treatment with a nickel plating solution. The sodium salts(sodium phosphate and sodium dihydrogen citrate) contained in the nickel plating solution made the alloy form an amorphous-like state, resulting in an improved hydrogen charge/discharge capacity at room temperature as high as about 150[mAh/g] from the original value of 17[mAh/g]. Potential-step experiment was carried out to determine the apparent chemical diffusion coefficient of hydrogen atom($D_{app}$) in the alloy. Since the alloy particle we used here was a dense, conductive sphere, the spherical diffusion model was employed for data analysis. $D_{app}$ was found to vary the order between $10^{-8}{\sim}10^{-9}[cm^2/s]$ over the course of hydrogenation and dehydrogenation process.

• Journal of the Korean Ceramic Society
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• v.30 no.10
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• pp.819-822
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• 1993

The purpose of this paper is a investigation of sensing mechanism for the carbon monoxide gas in CuO infiltrated ZnO ceramics. Potential barriers between CuO and ZnO can explain the selective sensing of carbon monoxide gas in the physically contacted CuO/ZnO ceramics. A specimen having no potential barrier between CuO and ZnO was prepared to see whether the gas sensing mechanism is related to the potential barrier. CuO and ZnO was prepared to see whether the gas sensing mechanism is related to the potential barrier. CuO was painted on the non electrode sides of ZnO ceramics. The CuO painted ZnO ceramics showed that the sensitivityfor the carbon moxnoxide gas was 1.3 times as high as that for the hydrogen gas. It is almost same gas sensitivity as that of the CuO infiltrated ZnO ceramics.

• Bulletin of the Korean Chemical Society
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• v.3 no.3
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• pp.83-88
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• 1982

Viscosity and zeta-potential of 11.0 wt. % aqueous bentonite suspension containing various electrolytes and hydrogen-ion concentration were measured by using a Couette type automatic rotational viscometer and Zeta Meter, respectively. The effects of pH and elcctrolytes on the rheological properties of the suspension were investigated. A system, which has a large zeta-potcntial, has a small intrinsic relaxation time ${\beta}$ and a small intrinsic shear modulus $1/{\alpha}$ in the Ree-Eyring generalized viscosity equation, i.e., such a system has a small viscosity value, since ${\eta}={\beta}/{\alpha}$. In general, a stable suspension system has large zeta-potential. The stability condition of clay-water suspension can be estimated by viscometric method since stable suspension generally has small viscosity. The correlation between the stability, viscosity and zeta-potential has been explained by the Ree-Eyring theory of viscous flow.

• Progress in Superconductivity and Cryogenics
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• v.22 no.3
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• pp.20-24
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• 2020

The purpose of this analytic study is to design and examine an efficient hydrogen liquefaction cycle by using a pre-cooler. The liquefaction cycle is primarily comprised of a pre-cooler and a refrigerator. The fed hydrogen gas is cooled down from ambient temperature (300 K) to the pre-cooling coolant temperature (either 77 K or 120 K approximately) through the pre-cooler. There are two pre-cooling methods: a single pre-coolant pre-cooler and a cascade pre-cooler which uses two levels of pre-coolants. After heat exchanging with the pre-cooler, the hydrogen gas is further cooled and finally liquefied through the refrigerator. The working fluids of the potential pre-cooling cycle are selected as liquid nitrogen and liquefied natural gas. A commercial software Aspen HYSYS is utilized to perform the numerical simulation of the proposed liquefaction cycle. Efficiency is compared with respect to the various conditions of the heat exchanging part of the pre-cooler. The analysis results show that the cascade method is more efficient, and the heat exchanging part of the pre-coolers should have specific UA ratios to maximize both spatial and energy efficiencies. This paper presents the quantitative performance of the pre-cooler in the hydrogen liquefaction cycle in detail, which shall be useful for designing an energy-efficient liquefaction system.