• Transactions of the Korean hydrogen and new energy society
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• v.15 no.2
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• pp.108-118
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• 2004

To find out rational design and synthetic strategies toward efficient hydrogen storage materials, molecular modeling and quantum mechanical studies have been carried out on the MOFs(Metal-Organic Frameworks) having various organic linkers and nanocube frameworks. The calculation results about the free volume ratio, surface area, and electron density variation of the frameworks indicated that the capacity of the hydrogen storage of MOFs was largely dependent on the specific surface area and electron localization around benzene ring rather than the free volume of MOFs. The prediction of the modeling study could be supported by the hydrogen adsorption experiments using IRMOF-1 and -3, which showed more enhanced hydrogen storage capacities of IRMOF-3 compared with the IRMOF-1's at both experimental conditions, 77K, ∠ $H_2$ 1 atm and ambient temperature, ∠ $H_2$ 35 atm.

• Clean Technology
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• v.13 no.4
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• pp.287-292
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• 2007

[ $M/Al_2O_3$ ] (M = Mn, Fe, Co, Ni, Cu) catalysts supported on commercial alumina ($Al_2O_3$) were prepared by an impregnation method, and were applied to the hydrogen production by auto-thermal reforming of ethanol. It was revealed that each catalyst retained its own metallic phase and product distribution strongly depended on the identity of active metal. Among the catalysts prepared, $Ni/Al_2O_3$ and $Co/Al_2O_3$ showed the best catalytic performance in the auto-thermal reforming of ethanol. However, the reaction mechanisms over these two catalysts were different. Ni/Al_2O_3 catalyst showed 100% ethanol conversion at $500^{\circ}C$, but it exhibited a rapid decrease in hydrogen selectivity. Although $Co/Al_2O_3$ catalyst showed an excellent performance in hydrogen selectivity, on the other hand, no significant improvement in hydrogen yield was observed due to the low ethanol conversion over the catalyst.

• Bulletin of the Korean Chemical Society
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• v.33 no.5
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• pp.1719-1721
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• 2012

We have investigated the $H_2$ adsorption structures and binding energies of the metal (M)-doped (M = Li, Na, K, Mg, and Al) silicon complexes, $M-Si_{19}H_{11}$ and $M-Si_{24}H_{12}$, using density functional calculations. Alkali metals are preferred as doping elements because the Mg-Si and Al-$H_2$ interactions are weak. The maximum numbers of $H_2$ molecules that can be adsorbed are four and five for M=Li and K, respectively. We propose that the K-decorated silicon material might be an effective hydrogen storage material with high hydrogen capacity and high reversibility.

• Journal of the Korean Chemical Society
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• v.59 no.5
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• pp.429-433
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• 2015

The binding ability and hydrogen storage capacity of nitrogen doped carbon nanotube with divacancy (4NDCN_xNT) that is decorated with transition metals was investigated based on density functional theory calculations. Results indicate that scandium shows an ideal reversible hydrogen binding capability with promising system-weight efficiency compared with other transition metals when functionalized with 4ND-CN_xNT. The (Sc/4ND)₁₀-CN_xNT can store up to 50H₂ molecules, corresponding to a maximum gravimetric density of 5.8 wt%. Detailed structural stability and electronic properties were reported as hydrogen molecules were absorbed. It takes about 0.16 eV/H₂ to add one H₂ molecule, which assures reversible storage of H₂ molecules under ambient conditions.

• Transactions of the Korean hydrogen and new energy society
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• v.17 no.1
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• pp.21-30
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• 2006

[ $M/Fe_2O_3$ ] (M=Rh, Ce and Zr) mixed oxides were prepared using urea method to develop a medium for chemical hydrogen storage by their redox cycles. And their redox behaviors by repeated cycles were studied using temperature programmed reaction(TPR) technique. Additives such as Rh, Ce and Zr were added to iron oxides in order to lower the reaction temperature for reduction by hydrogen and re-oxidation by water-splitting. From the results, concentration of urea used as a precipitant had little effect on particle size and reduction property of iron oxide. TPR patterns of iron oxide consisted of two reduction peaks due to the course of $Fe_2O_3\;{\rightarrow}\;Fe_3O_4\;{\rightarrow}\;Fe$. The results of repeated redox tests showed that Rh added to iron oxide have an effect on lowering the re-oxidation temperature by water-splitting. Meanwhile, Ce and Zr additives played an important role in prevention of deactivation by repeated cycles. Finally, Fe-oxide(Rh, Ce, Zr) sample added with Rh, Ce and Zr showed the lowest re-oxidation temperature by water-splitting and maintained high $H_2$ recovery in spite of the repeated redox cycles. Consequently, it is expected that Fe-oxide(Rh, Ce, Zr) sample can be a feasible medium for chemical hydrogen storage using redox cycle of iron oxide.

• Transactions of the Korean hydrogen and new energy society
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• v.15 no.2
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• pp.152-158
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• 2004

Hydrogen has been considered as an important and essential future energy source. But the storage of the hydrogen is a difficult problem and many studies were focused on this matter. However, the MTH-system (methylcyclohexane, toluene, hydrogen) was proposed for storage of hydrogen by Taube et al. and that is the reaction of hydrogen with toluene to give methylcyclohexane. One toluene molecule can store six hydrogen atoms to form methylcyclohexane. In this form the hydrogen can be easily stored in liquid organic hydrides and transported at ambient pressure in tanks. Hence, this study is focused on the catalytic dehydrogenation of methylcyclohexane. Since supported platinum and nickel were employed as catalysts in literature, in this study, porous Pt and Ni were prepared and tested for the dehydrogenation reaction. When the porous Pt catalyst was applied to the dehydrogenation it showed higher activity in the reaction and higher selectivity to toluene. Specially at higher pressure, it showed almost 100 % conversion and 100 % selectivity and hence porous platinum could be considered as best for the given reaction.

• Journal of the Korean Institute of Gas
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• v.28 no.2
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• pp.7-16
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• 2024

This study presents investigation on the technical characteristics and field cases of the salt cavern storage method for large-scale hydrogen storage. The salt cavern storage method enables effective hydrogen storage compared to other methods due to the low porosity and permeability of the rock salt that constitutes the cavern, which is not likely to leak and requires a small amount of cushion gas for operation. In addition, there is no chemical reaction between rock salt and hydrogen, and multiple injection/withdrawl cycles can be performed making it effective for peak shaving and short-term storage. The salt cavern is formed in three stages: leaching, debrining, and filling, and leakage tests are conducted to ensure stable operation. Field applications are currently performing to meet industrial demand in the surrounding area of four sites in the UK and Texas, USA, and salt cavern operation is being prepared for energy storage in European countries such as Germany and France. The investigated results in this study can be utilized as a basic guideline for the design of future hydrogen storage projects.

• Applied Chemistry for Engineering
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• v.18 no.2
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• pp.99-110
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• 2007

Efficient and inexpensive hydrogen storage is an essential prerequisite for the utilization of hydrogen, one of the new and clean energy sources for $21^{st}$ century. In this review, several storage techniques are briefly reviewed and compared. Especially, adsorption/storage via physisorption at low temperature, by using nanoporous adsorbents, is reviewed and evaluated for further developments. The adsorption over a porous material at low temperature is currently investigated deeply to fulfill the storage target. In this review, several characteristics needed for the high hydrogen adsorption capacity are introduced. It may be summarized that following characteristics are necessary for high storage capacity over porous materials: i) high surface area and micropore volume, ii) narrow pore size, iii) strong electrostatic field, and iv) coordinatively unsaturated sites, etc. Moreover, typical results demonstrating high storage capacity over nanoporous materials are summarized. Storage capacity up to 7.5 wt% at liquid nitrogen temperature and 80 atm is reported. Competitive adsorbents that are suitable for hydrogen storage may be developed via intensive and continuous studies on design, synthesis, manufacturing and modification of nanoporous materials.

• Transactions of the Korean hydrogen and new energy society
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• v.16 no.2
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• pp.122-129
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• 2005

The characteristics of hydrogen storage have been investigated in the Ti-Cr-Mo and Ti-Cr-V ternary alloys with bcc structure. The alloys were melted by arc furnace and remelted 4-5 times for homogeneity. The lattice parameters, microstructures and phases of the alloys were examined by SEM, EDX and XRD, and the Pressure-Composition isotherms of the alloys were measured. From these data the relationship of the maximum and effective hydrogen storage capacities vs. chemical composition, lattice parameter and the radius of tetrahedral site were analyzed and discussed. The results showed that all of these alloy, in the range of the this study, had mainly bcc solid solutions with small amount of Ti segregation due to a lower melting point of Ti compared with other elements. Lattice parameters of the alloys were very near to the atomic average values of lattice parameters of the constituent elements. It was also found that maximum hydrogen storage capacities of the Ti-Cr-Mo alloys increased with increasing Ti content and the radius of tetrahedral site but the effective hydrogen storage capacities decreased after showing the maximum. The hydrogen storage capacities of the Ti-Cr-V alloys were almost same even though the V contens were quite different from alloy to alloy and this could be attributed to the almost same Ti/Cr ratio of the alloys. The maximum effective hydrogen storage capacity of the Ti-Cr-Mo alloys was revealed at Ti content of about 40${\sim}$50 at% and radius of tetrahedral site of 0.43${\sim}$0.45 nm. The Ti-Cr-V alloys showed the hydrogen storage capacities of 3.0 wt% and effective hydrogen storage capacities of 1.5 wt%.

• 한국태양에너지학회:학술대회논문집
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• 2012.03a
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• pp.260-266
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• 2012

Syngas and hydrogen from the $CeO_2/ZrO_2$ coated foam devices were investigated under simulated solar radiation. The $CeO_2/ZrO_2$ coated SiC, Ni and Cu foam device were prepared using drop-coating method. Syngas production step was performed at $900^{\circ}C$, and hydrogen production process was performed for ten repeated cycles to compare the CeO2 conversion in syngas production step, $H_2$ yield in hydrogen production step and cycle reproducibility. The produced syngas had the $H_2$/CO ratio of 2, which was suitable for methanol synthesis or Fischer-Tropsch synthesis process. In addition, syngas and hydrogen production process is one of the promising chemical pathway for storage and transportation of solar heat by converting solar energy to chemical energy. After ten cycles of redox reaction, the $CeO_2/ZrO_2$ was analyzed using XRD pattern and SEM image in order to characterize the physical and chemical change of metal oxide at the high temperature.