• Journal of Industrial and Engineering Chemistry
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• v.67
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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.

• Korean Journal of Metals and Materials
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• v.46 no.5
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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.

• Transactions of the Korean hydrogen and new energy society
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• v.34 no.2
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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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• 2011.05a
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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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• 2006.11a
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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

• Transactions of the Korean hydrogen and new energy society
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• v.27 no.4
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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.

• Proceedings of the KIEE Conference
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• 1999.11b
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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.

• Korean Journal of Materials Research
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• v.24 no.11
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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.

• Applied Chemistry for Engineering
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• v.19 no.1
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• pp.31-36
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• 2008

In hydrogen production for fuel cell by reforming ADG, sulfur compounds, odorant in ADG, are detrimental to reforming catalyst and fuel cell electrodes. We prepared alkali metal impregnated activated carbon to remove sulfur compounds in ADG by adsorption. The sulfur breakthrough adsorption capacity was changed depending on the oxygen concentration and relative humidity. Oxygen 0.2 vol% and RH 90% showed the highest sulfur breakthrough capacity. Adsorption characteristics of $H_2S$ on KI impregnated activated carbon were evaluated using dynamic adsorption method in a fixed bed. Based on the results, adsorption tower was designed and field-tested.

• Journal of the Korean Vacuum Society
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• v.15 no.4
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• pp.360-366
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• 2006

We have performed density functional theory calculations for the surface structure of O/Pd(100)-p($2{\times}2$), formed by the adsorption of oxygen atoms of 0.25 ML. The oxygen atoms adsorb preferentially at the fourfold hollow site, and the calculated O-Pd bond length is $2,15{\AA}$, The first interlayer spacing ($d_{12}$) of Pd(100) expands by +0.8% due to the oxygen adsorption, which differs from the experimental value of +3.6% reported by a previous LEED study. Assuming that the LEED sample was possibly contaminated by hydrogen atoms, we also examined the effect of hydrogen impurities on the surface structure. Hydrogen atoms adsorbed on O/Pd(100)-p($2{\times}2$) are found to result in large expansions of $d_{12}$ of Pd(100). Our analysis estimates the amount of hydrogen atoms remaining on the LEED sample as -0.3 ML.