• Transactions of the Korean hydrogen and new energy society
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• v.26 no.5
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• pp.469-476
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• 2015

The purpose of this work is to investigate main factors to design a solid-state hydrogen stroage system with magnesium hydride with 10 wt% graphite using numerical simulation tools. The heat transfer characteristic of this material was measured in order to perform the highly reliable simulation for this system. Based on the measured effective thermal conductivity, a transient heat and mass transfer simulation revealed that the total performance of hydrogen storage system is prone to depend on heat and mass transfer behaviors of hydrogen storage medium instead of its inherent kinetic rate for hydrogen adsorption. Furthermore, we demonstrate that the thermodynamic aspect between equlibrium presssure and temperature is one of key factor to design the hydrogen storage system with high performance using magnesium hydride.

• Transactions of the Korean hydrogen and new energy society
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• v.13 no.1
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• pp.74-82
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• 2002

Ni nanoparticles이 표면에 분산된 mutiwall carbon nanotubes (MWNTs)의 수소저장 특성을 분석하였다. Metal nanoparticles의 분산 방법은 incipient wetness impregnation procedure을 사용하였는데, 이러한 Ni catalysts의 역할은 기존에 알려진 Li, K doping과 같은 개념으로 기상의 수소를 분해하여 carbon 표면에 chemical adsorption 시키는 역할을 하게 된다. 실제로 Ni nanoparticles이 6wt% loading된 경우에는 thermal desorption spectra를 분석한 결과 ~2.8wt% hydrogen이 ~340-520K의 온도범위에서 방출되는 것을 관찰할 수 있었다. Kissingers plot을 통해서 MWNTs와 hydrogen과 interaction energy를 구한 결과 ${\sim}31kJ/molH_2$를 얻을 수 있었으며 이 값은 기존의 SWNTs에 hydrogen이 physi-sorption에서 실험적으로 얻을 수 있었던 값보다 1.5배 큰 값이라고 할 수 있다. 자세한 수소저장 기구를 분석하기 위해서 FT-IR분석을 한 결과 C-Hn stretching vibrations이 관찰되었으며 mono-hydride와 weak di-hydride $sp^3$가 형성된 것으로 해석 될 수 있었다. 이와 같은 결과는 Ni nanoparticle들이 예상과 같이 hydrogen molecules을 dissociation하는 역할을 하는 것을 의미한다. 연속적인 thermal desorption 실험을 통해 가역성도 평가하였다.

• 한국신재생에너지학회:학술대회논문집
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• 2009.06a
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• pp.744-744
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• 2009

The development of safe and suitable hydrogen storage materials is one of key issues for commercializing hydrogen as an energy carrier. Carbon based materials have been investigated for many years to store hydrogen by the adsorption of the gas on the surface of the carbon structure. Recently, it is reported that carbon nitride nanobells have high hydrogen storage capacity since the nitrogen atom plays an important role on attracting hydrogen molecules. Here we report carbon nitride microporous spheres (CNMS) which have the maximum surface area of 995.3 $m^2/g$. Melamine-Formaldehyde resin is the source of carbon and nitrogen in CNMS. Most of the CNMS pores have diameters in the range of 6 to 8 A which could give a penetration energy barrier to a certain molecule. In addition, the maximum hydrogen storage capacities of carbon nitride spheres are 1.9 wt% under 77 K and 1 atm.

• Journal of Korean Society of Environmental Engineers
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• v.30 no.11
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• pp.1132-1138
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• 2008

The study was carried out to investigate adsorption characteristic on hydrogen sulfide (H$_2$S) and methylmercaptan (CH$_3$SH) odor gas using the char made by a thermal decomposition of sewage sludge. The fixed bed adsorption experiments of the optimum L/D ratio could be 1.0, and adsorption capacity and break point increased with the increase of temperature. A simultaneous adsorption characteristic of H$_2$S and CH$_3$SH increased in breakthrough time and adsorption capacity more than single adsorption experiment, and CH$_3$SH had higher effective diffusivities than H$_2$S in same condition. The adsorption capacity of CH$_3$SH increased with fast velocity. When it was compared the produced absorbent with commercial activated carbon, As to adsorbent amount, it was H$_2$S 77% and CH$_3$SH 80% of commercial activated carbon.

• Korean Chemical Engineering Research
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• v.50 no.1
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• pp.83-87
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• 2012

Activated carbon fiber (ACF) was used to remove four kinds of trihalomethanes(THMs) from tap water which were remained as by-products during the chlorination of water. Adsorption capacity was investigated as a function of THMs concentration and solution temperature, and adsorption mechanism was studied in relating to the surface characteristics of ACF. All the four kinds of THMs were rapidly adsorbed on the surface of ACF by physical adsorption due to the enormous surface micropores and chemical adsorption due to the hydrogen bonds, showing a Langmuir type adsorption isotherm. Langmuir type is especially profitable for the adsorption of low level adsorptives. ACF was very effective for the removal of THMs from tap water because the THMs concentration is below $30{\mu}g/L$ in tap water. The adsorption amount of THMs on ACF increased in order of the number of brom atom; chloroform, bromodichloromethane, dibromochloromethane, and bromoform. The adsorption capacity increased as increasing the number of brom atom due to the decrease of polarity in solution. The adsorption capacity of THMs on ACF can be enhanced by proper surface treatment of ACF.

• Journal of the Korean Electrochemical Society
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• v.4 no.4
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• pp.146-151
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• 2001

The Frumkin adsorption isotherm of the over-potentially deposited hydrogen (OPD H) for the cathodic $H_2$ evolution reaction (HER) at the poly-Ni|0.05M KOH aqueous electrolyte interface has been studied using the phase-shift method. The behavior of the phase shift $(0^{\circ}\leq{\phi}\leq90^{\circ})$ for the optimum intermediate frequency corresponds well to that of the fractional surface coverage $(1\geq{\theta}\geq0)$ at the interface. The phase-shift method, i.e., the Phase-shift profile $(-{\phi}\;vs.\;E)$ for the optimum intermediate frequency, can be used as a new method to estimate the Frumkin adsorption isotherm $(\theta\;vs.\;E)$ of the OPD H for the cathodic HER at the interface. At the poly-Ni|0.05M KOH aqueous electrolyte interface, the rate (r) of change of the standard free energy of the OPD H with $\theta$, the interaction parameter (g) for the Frumkin adsorption isotherm, the equilibrium constant (K) for the OPD H with $\theta$, and the standard free energy $({\Delta}G_{\theta})$ of the OPD H with ${\theta}$ are $24.8kJ mol^{-1},\;10,\;5.9\times10^{-6}{\leq}K{\leq}0.13,\;and\;5.1\leq{\Delta}G_{\theta}\leq29.8kJ\;mol^{-1}$. The electrode kinetic parameters $(r,\;g,\;K,\;{\Delta}G_{\theta})$ depend strongly on ${\theta} (0{\leq}{\theta}{\leq}1)$.

• 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.

• Korean Journal of Materials Research
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• v.26 no.6
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• pp.332-336
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• 2016

Three kinds of porous polymer were synthesized using a solvothermal of tri-4,4'-diphenylmethane diisocyanate (MDI-trimer) and different diamino monomers. The effects of the synthesis conditions and the monomer selection on the synthesis of porous polymer properties were studied. The results show that the synthesis of $NH_2$-containing monomer molecules smaller the microporous polymers was easy to implement; the specific surface areas of the polymers are related to the monomer ratio and the reaction time. The results show that the synthesized porous polymer had good hydrogen storage performance; the hydrogen storage ability improved with the addition of heterocyclic nitrogen.

• 한국전기화학회:학술대회논문집
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• 2005.07a
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• pp.329-334
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• 2005

In order to find out rational design and synthetic strategies toward efficient hydrogen storage materials, we performed quantum mechanical calculations on a series of the Metal-Organic Frameworks (MOFs) containing functionalized organic linkers. Based on the shape of frontier orbitals and the electrostatic potential map of various MOFs from density functional theory calculations, it was found that the delocalization of electron and asymmetric polarization of the organic linker play an important role in the hydrogen storage capacity of Metal-Organic Frameworks. The prediction of the modeling study could be supported by the hydrogen adsorption experiments using MOF-5 and amine substituted MOF-5, which showed more enhanced hydrogen storage capacity of amine substituted MOF-5 compared with that of MOF-5.

• 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.