• Journal of Industrial and Engineering Chemistry
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• 제67권
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• pp.316-325
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• 2018

Aluminum based metal-organic framework using a di-carboxylate linker succinic acid (Al-SA MOF), are synthesized in water with minimal generation of secondary pollutants. The physicochemical properties of Al-SA MOF were examined, followed by its utility for the adsorption of Acid Black 1 (AB1) in aqueous media. Influences of key parameters such as pH, contact time, initial AB1 concentration,temperature, and selectivity on the adsorption process were assessed. A series of adsorption mechanisms are proposed, which involve electrostatic, hydrogen bonding, and hydrophobic interactions. These findings suggest that Al-SA MOF is a potent candidate in removing complex azo dyes molecules from aqueous media.

• 대한금속재료학회지
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• 제46권5호
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• pp.296-303
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• 2008

Hydrogen permeation through dense palladium-based membranes has attracted the attention of many scientists largely due to their unmatched potential as hydrogen-selective membranes for membrane reactor applications. Although it is well known that the permeation mechanism of hydrogen through Pd involves various processes such as dissociative adsorption, transitions to and from the bulk Pd, diffusion within Pd, and recombinative desorption, it is still unclear which process mainly limits hydrogen permeation at a given temperature and hydrogen partial pressure. In this study, we report an all-electron density-functional theory study of hydrogen permeation through Pd membrane (using VASP code). Especially, we focus on the variation of the energy barrier of the penetration process from the surface to the bulk with hydrogen coverage, which means the large reduction of the fracture stress in the brittle crack propagation considering Griffith's criterion. It is also found that the penetration energy barrier from the surface to the bulk largely decreases so that it almost vanishes at the coverage 1.25, which means that the penetration process cannot be the rate determining process.

• 한국수소및신에너지학회논문집
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• 제34권2호
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• pp.169-177
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• 2023

Phase stability diagrams were constructed for magnesium alanate (Mg(AlH₄)₂) nanoparticles to investigate the reversible hydrogen storage reaction by using density functional theory. Our findings indicate that bulk Mg(AlH₄)₂ shows favorable hydrogen release, but unfavorable hydrogen uptake (adsorption) reactions. However, for Mg(AlH₄)₂ nanoparticles, it was observed that hydrogen release and recharge can be achieved by controlling the particle size and temperature. Furthermore, by predicting the decomposition phase diagram of Mg(AlH₄)₂ nanoparticles with varying hydrogen partial pressure, it was discovered that reversible dehydrogenation reactions can occur even in relatively large nanoparticles by controlling the hydrogen partial pressure.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 춘계학술대회 초록집
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• pp.158.1-158.1
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• 2011

In this work, we prepared ultramicroporous carbons (UC) prepared by pyrolyzing poly(vinylidene fluoride) with different carbonization temperatures, and investigated the hydrogen storage behaviors. The surface functional groups and specific elements of UC were confirmed by Fourier-transform infrared spectroscopy (FT-IR) and X-ray photoelectron spectroscopy (XPS), respectively. Textural properties were analyzed using $N_2$ adsorption isotherms at 77 K. The hydrogen storage capacity of the UC samples were investigated by BEL-HP at 298 K/10 MPa. From the results, it was found that the hydrogen storage capacity was enhanced with increasing of specific surface area, resulting from the formation of ultramicropore on the UC.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2006년도 추계학술대회
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• pp.336-339
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• 2006

With the steady depletion off fossil fuel reserves, hydrogen based energy sources become increasingly attractive. Therefore hydrogen production or separation technologies, such as Bas separation membrane based on adsorption technology, have received enormous attention in the industrial and academic fields. In this study, the transport mechanisms of the MTES (methyltriethoxysilane) templating silica/a-alumina composite membrane were evaluated by using unary, binary and quaternary hydrogen gas mixtures permeation experiments at unsteady- and steady-states. Since the permeation flux in the MTES membrane, through the experimental and theoretical study, was affected by molecular sieving effects as well as surface diffusion properties, the kinetic and equilibrium separation should be considered simultaneously in the membrane according to molecular properties. In order to depict the transient multi-component permeation on the templating silica membrane, the GMS (generalized Maxwell-Stefan) and DGM (dust Bas model) were adapted to unsteady-state material balance

• 한국수소및신에너지학회논문집
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• 제27권4호
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• pp.349-356
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• 2016

Volumetric capacity metrics at cryogenic condition are critical for technological and commercial development. It must be calculated and reported in a uniform and consistent manner to allow comparisons among different materials. In this paper, we propose a simple and universal protocol for the determination of volumetric capacity of sorbent materials at cryogenic condition. Usually, the sample container volume containing porous sample at RT can be directly determined by a helium expansion test. At cryogenic temperatures, however, this direct helium expansion test results in inaccurate values of the sample container volume for microporous materials due to a significant helium adsorption, resulting significant errors in hydrogen uptake. For reducing this container volume error, therefore, we introduced and applied the indirect method such as 'volume correction using a non-porous material', showing a reliable cold volume correction.

• 대한전기학회:학술대회논문집
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• 대한전기학회 1999년도 추계학술대회 논문집 학회본부 A
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• pp.442-445
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• 1999

In this work, to detect of hydrogen in DI water in the generator area of nuclear power plants was fabricated Pd/Pt gate MISFET sensor using Pd membrane. $H_2$ permeation through Pd accounts for external mass transfer, surface adsorption and desorption, transitions to and from the bulk metal, and diffusion within the metal. The identification of pinholes in the generator area of plant is an important safety consideration, as hydrogen build-up gives rise to explosion. For this type of application the sensor needs to be isolated in DI water, accordingly, a Pd membrane was used to separate the DI water. The hydrogen in the DI water was then absorbed on the Pd thin film and diffused into the oil through the thin film. The Pd/Pt gate MISFET sensor, encapsulated by oil, will thereby detect permeated hydrogen.

• 한국재료학회지
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• 제24권11호
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• pp.573-577
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• 2014

The existing metal getters are invariably covered with thin oxide layers in air and the native oxide layer must be dissolved into the getter materials for activation. However, high temperature is needed for the activation, which leads to unavoidable deleterious effects on the devices. Therefore, to improve the device efficiency and gas-adsorption properties of the device, it is essential to synthesize the getter with a method that does not require a thermal activation temperature. In this study, getter material was synthesized using palladium oxide (PdOx) which can adsorb $H_2$ gas. To enhance the efficiency of the hydrogen and moisture absorption, a porous layer with a large specific area was fabricated by an etching process and used as supporting substrates. It was confirmed that the moisture-absorption performance of the $SiO_2/Si$ was characterized by water vapor volume with relative humidity. The gas-adsorption properties occurred in the absence of the activation process.

• 공업화학
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• 제19권1호
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• pp.31-36
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• 2008

혐기성소화가스(ADG)를 원료로 수소를 제조하여 연료전지에 활용할 경우 ADG에 포함된 황화합물이 개질기의 촉매와 연료전지의 전극에 독으로 작용하므로 금속이온이 담지된 활성탄을 이용하여 황화합물을 제거하였다. 수분과 산소농도에 따라 고정층 흡착량이 변화하였으며, 산소 0.2 vol%, RH 90% 이상일 때 가장 높은 흡착량을 나타내었다. 본 연구에서는 KI 첨착한 활성탄에서 황화합물의 흡착특성을 고정층에서 동특성 실험을 통해 관찰하고 그 결과를 기준으로 흡착탑을 설계 제작 현장실험을 실시하였다.

• 한국진공학회지
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• 제15권4호
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• pp.360-366
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• 2006

0,25 ML의 산소원자가 흡착하여 이루는 O/Pd(100)-p($2{\times}2$) 표면의 원자구조를 밀도범함수 이론 계산을 통해 연구하였다, Pd(100) 표면의 fourfold hollow 위치가 가장 안정된 산소 흡착위치로 밝혀졌고 O-Pd 결합거리는 $2,15{\AA}$으로 계산되었다. 산소 흡착에 의해 Pd(100) 표면의 첫 번째 층간격 ($d_{12}$) 은 +0,8%의 팽창을 보이는데 이 계산결과는 +3,6%의 팽창을 보고 한 LEED 실험 결과와 차이를 보인다. 차이의 원인으로 시료 표변에 수소 불순물이 존재하였을 가능성을 고려하여 계산한 결과, O/Pd(100)-p($2{\times}2$)에 수소원자가 흡착할 때 $d_{12}$의 팽창이 유발됨을 확인하였다. 수소 흡착량에 따른 구조변화를 분석하여 LEED 시료 표변에 잔존할 것으로 예상되는 수소의 양을 약 0,3 ML로 추정하였다.