• Bulletin of the Korean Chemical Society
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• v.22 no.7
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• pp.693-698
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• 2001

Ab initio density functional calculations on the structural isomers, the hydration energies, and the hydrogen bond many-body interactions for gauche-, trans-protonated ethylenediamine-(water)3 complexes (g-enH+(H2O)3, t-enH+(H2O)3) have been performed. The structures and relative stabilities of three representative isomers (cyclic, tripod, open) between g-enH+(H2O)3 and t-enH+(H2O)3 are predicted to be quite different due to the strong interference between intramolecular hydrogen bonding and water hydrogen bond networks in g-enH+(H2O)3. Many-body analyses revealed that the combined repulsive relaxation energy and repulsive nonadditive interactions for the mono-cyclic tripod isomer, not the hydrogen bond cooperativity, are mainly responsible for the greater stability of the bi-cyclic isomer.

• Journal of Hydrogen and New Energy
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• v.33 no.2
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• pp.142-147
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• 2022

Along with the global discussion on climate change prevention, regulations on hazardous substances emitted from ships were also carried out. Batteries have been regularly proposed as a solution for transportation, but lack of energy density has presented hydrogen as a final alternative. This study conducted legal issues regarding the method of providing hydrogen fuel on land and providing hydrogen fuel at sea. It is necessary to study how to institutionalize hydrogen bunkering in the legal system of the licensing system and distribution system.

• Journal of Hydrogen and New Energy
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• v.19 no.6
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• pp.529-536
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• 2008

Cyanobacteria Synechocystis PCC 6803 or the extracted thylakoid membrane from this strain was appled to photosynthetic bio-electrochemical fuel cell(PBEFC) for the production of hydrogen under the illumination of 48Klux using halogen lamp. PBEFC was composed of anode, cathode and membrane between them. Electrode material was carbon paper while electron mediator and receptor were added phenazine methosulfate(PMS) and potassium ferricyanide respectively. When water and 50 mM tricine buffer and $300{\mu}M$ PMS were added to the anode under the light condition, PBEFC produced the current density $4.4{\times}10^{-5}\;mA/cm^2$, $1.4{\times}10^{-4}\;mA/cm^2$ and $2.4{\times}10^{-4}\;mA/cm^2$, respectively. And the addition of the thylakoid membrane to the system increased current density to $1.3{\times}10^{-3}\;mA/cm^2$. Two times increase of the thylakoid membrane into the anode doubled the current density to $2.6{\times}10^{-3}\;mA/cm^2$. But the current density was not increased proportionally to the amount of thylakoid membrane increased. The system was unstable to measure the electricity output due to the foam production in the anode. Addition of triton X-100 and tween 80 stabilized the system to measure the electricity output but the current density was not increased higher than $8.4{\times}10^{-4}\;mA/cm^2$ and $2.3{\times}10^{-3}\;mA/cm^2$. When the thylakoid membrane was substituted to Synechocystis PCC 6803 cells of four-day culture which has chlorophyll contents $20.5{\mu}g/m{\ell}$, maximum current density was $1.3{\times}10^{-3}\;mA/cm^2$ with $1\;k{\Omega}$ resistance.

• Corrosion Science and Technology
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• v.16 no.6
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• pp.317-327
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• 2017

The change in the oxidation behavior of three types of B-added ultrahigh strength martensitic steels containing Ti and Nb induced by applying constant cathodic current was investigated. In a 3% NaCl+0.3% $NH_4SCN$ solution, the overall polarization behavior of the three alloys was similar, and degradation of the oxide film was observed in the three alloys after applying constant cathodic current. A significant increase in the anodic current density was observed in the Nb-added alloy, while it was diminished in the Ti-added alloy. Both Ti and Nb alloying decreased the hydrogen overpotential by forming NbC and TiC particles. In addition, the thickest oxide film was formed on the Ti-added alloy, but the addition of Nb decreased the film thickness. Therefore, it was concluded that the remarkable increase in the anodic current density of Nb-added alloy induced by applying constant cathodic current density was attributed to the formation of the thinnest oxide film less protective to hydrogen absorption, and the addition of Ti effectively blocked the hydrogen absorption by forming TiC particles and a relatively thick oxide film.

• Archives of Metallurgy and Materials
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• v.67 no.4
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• pp.1491-1495
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• 2022

The present research deals with the effect of pre-strain on the hydrogen embrittlement behavior of intercritically annealed medium-Mn steels. A slow strain-rate tensile test was conducted after hydrogen charging by an electrochemical permeation method. Based on EBSD and XRD analysis results, the microstructure was composed of martensite and retained austenite of which fraction increased with an increase in the intercritical annealing temperature. The tensile test results showed that the steel with a higher fraction of retained austenite had relatively high hydrogen embrittlement resistance because the retained austenite acts as an irreversible hydrogen trap site. As the amount of pre-strain was increased, the hydrogen embrittlement resistance decreased notably due to an increase in the dislocation density and strain-induced martensite transformation.

• 제어로봇시스템학회:학술대회논문집
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• 2001.10a
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• pp.50.1-50
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• 2001

Dynamic optimization with partially structured model in a slurry-phase HDPE reactor is implemented by the modified hierarchical dynamic optimization. Optimal trajectories of MI and density of HDPE are calculated as controlled variables and optimal profiles of the concentrations of ethylene, hydrogen and comonomer are calculated as manipulated variables in dynamic optimization. MI, density, the concentrations of ethylene, hydrogen and comonomer are used as controlled variables and flow rates of ethylene, hydrogen and comonomer are sued as manipulated variables in control implementation. Two-level hierarchical method is applied in dynamic optimization to reduce computation time. In the upper level formulation ...

• Mass Spectrometry Letters
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• v.2 no.1
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• pp.16-19
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• 2011

Oxidation products of ceftiofur were formed in hydrogen peroxide solution. The structures of the ceftiofur oxidation products were characterized by high-performance liquid chromatography/electrospray ionization/tandem mass spectrometry (HPLC/ESI/MS/MS). The products were identified as compounds oxidized at the sulfur of a cephem ring. For further analysis, experiments were performed using $O^{18}$-labeled hydrogen peroxide. In addition, density-functional calculations were carried out for six possible oxidation products to support the experimental results.

• 한국전기화학회:학술대회논문집
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• 2004.06a
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• pp.287-292
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• 2004

In order to understand the relationship between molecular structure of Metal-Organic Framework(MOF) and capacity of hydrogen absorption, quantum mechanical calculations and grand canonical Monte Carlo simulations have been carried out on a series of MOF-5 having various organic linkers. The calculation results about specific surface area and electron density for various frameworks indicated that the capacity of the hydrogen storage is largely dependent on effective surface area rather than the free volume. Based on the iso-electrostatic potential surface from density functional calculation and the amount of adsorbed hydrogens from grand canonical Monte Carlo calculation, it was also found that the electron localization ground organic linker plays an important role in hydrogen capacity of MOFs.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2007.11a
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• pp.157-158
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• 2007

Effects of post-metallization anneal (PMA) on interface trap characteristics of Si-$SiO_2$ are studied. The conventional PMA method utilizes forming gas anneal, where 10% hydrogen in nitrogen atmosphere is used. A new PMA method utilizes hydrogen rich PECVD- silicon nitride $(SiN_x)$ film as a hydrogen diffusion source and a out-diffusion blocking layer. It can be shown through charge pumping current measurement that the new PMA is indeed effective to decrease Si-$SiO_2$ interface trap density.

• Journal of the Korean Society for Heat Treatment
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• v.31 no.6
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• pp.283-289
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• 2018

This present study deals with the hydrogen embrittlement properties of austenitic Fe-30Mn-0.2C(-1.5Al) high-manganese steels for cryogenic applications. They were electrochemically charged with hydrogen and then subjected to tensile tests for evaluating hydrogen embrittlement behavior. Tensile test results showed that after hydrogen charging the tensile strength and elongation of the Al-free steel were more remarkably decreased with increasing current density when compared to the Al-added steel. After hydrogen charging of the Al-added steel, it was found that the measured hydrogen content was small and silver particles were relatively less decorated. Therefore, the Al-added steel has a superior hydrogen embrittlement resistance to the Al-free steel because the addition of Al suppresses the injection of hydrogen during electrochemical hydrogen charging.