• Transactions of the Korean hydrogen and new energy society
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• v.14 no.2
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• pp.146-154
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• 2003

The hybrids of zeolite and metal hydride were prepared to improve the absorption properties as media for hydrogen storage. The zeolites which was deposited on the surface by metal hydride vapor showed excellent absorption properties and sodalite was proved to be better than zeolite-A in the reaction velocity and hydrogen storage capacity. This suggests the metal hydride could be used effectively as catalytic active material for enhancing the hydrogen storage in zeolite containing $\alpha$-cages and furthermore the hydrogen molecules have preference tobe occluded in their cavities containing $\alpha$-cages more effectively than that containing a and $\beta$-cages.

• 한국신재생에너지학회:학술대회논문집
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• 2006.06a
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• pp.9-12
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• 2006

We performed molecular dynamics simulations on the conventional MOF, IRMOF-14 and the catenated MOF with two MOF chains, IRMOF13, to find out rational design and synthetic strategies toward efficient hydrogen storage materials. The molecular dynamics calculations were done using Universal force fields and the analysis of result was performed during the NVE dynamics after preliminary NVT dynamics at 77K. The results showed the density of adsorbed hydrogen molecules was increased in the various pores created by catenation of MOFs while the large amount of volume in conventional MOF was not effectively utilized to store hydrogen. Those calculation results commonly showed the proper control of pore si Be for hydrogen storage into MOF by catenation would be one of the efficient ways to increase hydrogen capacity of MOFs.

• Transactions of the Korean hydrogen and new energy society
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• v.17 no.4
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• pp.389-394
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• 2006

Mg and Mg-based alloys are promising hydrogen storage alloys for renewable clean energy applications. It is a lightweight and low cost material with high hydrogen storage capacity. However, commercial applications of the Mg hydride are currently hindered by its high absorption/desorption temperature, and very slow reaction kinetics. In this work, we aim to study the absorption properties of the $Mg_2Ni$-5mass% Nb composite prepared by mechanical alloying under hydrogen. The absorption capacity of the sample is found to be about 3.0 wt.% at T=573 K and P=1.0 MPa. The absorption characteristics observed have been compared with those of the prepared $Mg_2Ni$.

• Korean Journal of Metals and Materials
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• v.56 no.11
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• pp.829-834
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• 2018

Although magnesium-based alloys are attractive materials for hydrogen storage applications, their activation properties, hydrogenation/dehydrogenation kinetics, thermodynamic equilibrium parameters, and degradation characteristics must be improved for practical applications. Further, magnesium poses several risks, including explosion hazard, environmental pollution, insufficient formability, and industrial damage. To overcome these problems, CaO-added Mg alloys, also called Eco-Mg (environment-conscious Mg) alloys, have been developed. In this study, $Eco-MgH_x$ composites were fabricated from Mg-CaO chips by hydrogen-induced mechanical alloying in a high-pressure atmosphere. The balls-to-chips mass ratio (BCR) was varied between a low and high value. The particles obtained were characterized by X-ray diffraction (XRD), and the absorbed hydrogen was quantified by thermogravimetric analysis. The XRD results revealed that the $MgH_2$ peaks broadened for the high BCR. Further, PSA results revealed particles size were decreased from $52{\mu}m$ to $15{\mu}m$.

• Transactions of the Korean hydrogen and new energy society
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• v.33 no.1
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• pp.8-18
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• 2022

With rapid industrialization and population growth, fossil fuel use has increased, which has a significant impact on the environment. Hydrogen does not cause contamination in the energy production process, so it seems to be a solution, but it is essential to find an appropriate storage method due to its low efficiency. In this study, Mg-based alloys capable of ensuring safety and high volume and hydrogen storage density per weight was studied, and Mg₂NiH_x synthesized with Ni capable of improving hydrogenation kinetics. In addition, in order to improve thermal stability, a hydrogen storage composite material synthesized with CaO was synthesized to analyze the change in hydrogenation reaction. In order to analyze the changes in the metallurgical properties of the materials through the process, XRD, SEM, BET, etc. were conducted, and hydrogenation behavior was confirmed by TGA and hydrogenation kinetics analysis. In addition, in order to evaluate the impact of the process on the environment, the environmental impact was evaluated through "Material Life Cycle Assessments" based on CML 2001 and EI99' methodologies, and compared and analyzed with previous studies. As a result, the synthesis of CaO caused additional power consumption, which had a significant impact on global warming, and further research is required to improve this.

• Korean Journal of Materials Research
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• v.12 no.8
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• pp.617-623
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• 2002

In order to improve the hydrogen storage capacity and the activation properties of the hydrogen storage alloys, the rare-earth metal alloy series, $MmNi_{ 4.5}$$Mn_{0.5}$ $Zr_{x}$ (x=0, 0.025, 0.05, 0.1), are prepared by adding the excess Zr in $MmNi_{4.5}$ $Mn_{0.5}$ / alloy for the strong resistance to intrinsic degradation. The hydrogen storage alloys of rare-earth metal such as $LaNi_{5}$ , and $MmNi_{5}$X and $MmNi_{4.5}$ /$_Mn{0.5}$ alloys which substituted La by misch metal properties were characterized as well. The hydrogen storage alloys were produced by melting each metal mixture in arc melting furnace, and the as-cast alloys were heat-treated at $1100^{\circ}C$ for 10 hr. The major elements of misch metal(Mm) were La, Ce, Pr and Nd with some impurities less than 1wt.% determined by ICP-AES. X-ray diffraction indicated that the structure for these samples was a single phase of hexagonal with $CaCu^{5}$ type. As the Zr contents increases, the activation time and the plateau pressure decrease and sloping of the plateau pressure increase. Amount of the 2nd phases increases with increase in Zr contents in $MmNi_{ 4.5}$$Mn_{0.5}$ $Zr_{0.1}$ alloy, This phenomenon indicated that $ZrNi_3$ in this phase, which shows the maximum storage capacity and the strong resistance to intrinsic degradation, is considered as a proper alloy for hydrogen storage..

• Transactions of the Korean hydrogen and new energy society
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• v.24 no.5
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• pp.367-372
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• 2013

Hydrogen storage as a metal hydride is the most promising alternative because of its relatively large hydrogen storage capacities near room temperature. TiMn2-based C14 Laves phases alloys are one of the promising hydrogen storage materials with easy activation, good hydriding-dehydriding kinetics, high hydrogen storage capacity and relatively low cost. In this work, multi-component, hyper-stoichiometric $Ti_{0.85}Zr_{0.13}(Fe_x-V)_{0.56}Mn_{1.47}Ni_{0.05}$ C14 Laves phase alloys were prepared by a vacuum induction melting for a hydrogen storage tank. Since pure vanadium (V) is quite expensive, the substitution of the V element in these alloys has been tried and some interesting results were achieved by replacing V by commercial ferrovanadium (FeV) raw material. In addition, the melt-spinning process, which was applied to the manufacturing of some of these alloys, could make the plateau slopes much flatter, which resulted in the increase of reversible hydrogen storage capacity. The improvement of sloping properties of melt-spun $Ti_{0.85}Zr_{0.13}(Fe_x-V)_{0.56}Mn_{1.47}Ni_{0.05}$ alloys was mainly attributed to the homogeneity of chemical composition.

• Transactions of the Korean hydrogen and new energy society
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• v.13 no.2
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• pp.151-158
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• 2002

The hydorgen storage alloys were produced by melting in arc melting furnace and then solution heat treated at $1,100^{\circ}C$ followed by pulverization. The chemical analysis on the samples showed that the major elements of misch metal(Mm) were La, Ce, Pr and Nd with impurity less than 1wt.%. X-ray diffraction indicated that the structure for these samples were a single phase of hexagonal with $CaCu_5$ type. Compared to the initial particle size $100{\sim}110{\mu}m$, the many fine cracks were found and particle size decreased to $14{\mu}m$ for $MmNi_{4.5}Mn_{0.5}$ after hydriding/dehydring test run. To activate the sample the vessel filled with hydrogen storage alloys was first evacuated for for at $70^{\circ}C$ and then treated for 10.5hr under hydrogen pressure of 20atm for $MmNi_{4.5}Mn_{0.5}$ alloy. The experimental data showed that the hydrogen storage alloy of $MmNi_{4.5}Mn_{0.5}$ had superior adsorption and description properties within a temperature rang of $40^{\circ}C{\sim}80^{\circ}C$ and also they had a good P-C-T curve.

• Nuclear Engineering and Technology
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• v.56 no.2
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• pp.728-744
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• 2024

The presence of hydrogen absorbed by zirconium-based cladding materials during reactor operation can trigger degradation mechanisms and endanger the rod integrity. Ensuring the durability of the rods in extended time-frames like dry storage requires anticipating hydrogen behavior using numerical modeling. In this context, the present paper describes a hydrogen post-processing tool for Falcon - HYPE, a PSI's in-house tool able to calculate hydrogen uptake, transport, thermochemistry, reorientation of hydrides and hydrogen-related failure criteria. The tool extracts all necessary data from a Falcon output file; therefore, it can be considered loosely coupled to Falcon. HYPE has been successfully validated against experimental data and applied to reactor operation and interim storage scenarios to present its capabilities.

• International Journal of Safety
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• v.6 no.1
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• pp.16-21
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• 2007

Carbon nanotubes hold much promise as future materials for safe storage of hydrogen. In this paper, hydrogen transport mechanisms in single-walled carbon nano-tubes (SWNTs) for various temperatures and chiral indices were studied using molecular dynamics simulation method. The SWNT models of zigzag (10,0), chiral (10,5) and armchair (10,10) with hydrogen molecules inside were simulated at temperatures ranging from 253K to 373K. Movements of hydrogen molecules ($H_2$) inside a SWNT were analyzed using mean-square displacements and velocity autocorrelation functions.