• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2007년도 추계학술대회 논문집
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• pp.80-83
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• 2007

In order to characterize the catalytically active sites on carbon black, acetylene chemisorption had been examined recently at 773 and 873 K by using a pulse technique. As the inject ion was repeated at 773 K, the adsorbed amount gradually decreased and eventually the adsorption did not occur any more. At 873 K a constant amount of $C_2H_2$ was consumed repeatedly after several injections. Good linear relationships were obtained between the methane decomposition rate at 1123 or 1173 K and the cumulative acetylene adsorption at 773 K or the constant acetylene consumption at 873 K. Reasonable models for the associative acetylene chemisorption at 773 K and the constant acetylene consumption at 873 K on the armchair face at the edges of graphene layers were proposed. The constant consumpt ion may be explained by the "$C_2H_2$-addition-hydrogen- abstract ion (CAHA)" mechanism.

• Bulletin of the Korean Chemical Society
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• 제9권6호
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• pp.388-393
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• 1988

The chemisorption of CO molecules on polycrystalline nickel surface has been studied by investigating the resulting chemisorbed species with the X-ray photoelectron spectroscopy at temperatures between 300K through 433K. It is found that the adsorbed CO molecules are dissociated by the simple C-O bond cleavage as well as by the disproportionation reaction at temperatures above 373K. The former type dissociation is more favored at low coverages and at elevated temperatures. The isotherms of CO chemisorption are obtained from the xps intensities of C 1s peaks, and then the activation energy of the dissociative adsorption is estimated as a function of the CO exposure. These activation energies are extrapolated to zero coverage to obtain the activation energy of chemisorption in which thermal C-O bond cleavage takes place. The value obtained is 38.1 kJ/mol.

• Bulletin of the Korean Chemical Society
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• 제34권12호
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• pp.3722-3726
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• 2013

Covalent functionalization of a $Zn_{12}O_{12}$ nano-cage with $CO_2$ molecule in terms of energetic, geometry, and electronic properties was investigated by density functional theory method. For chemisorption configurations, the adsorption energy of $CO_2$ on the $Zn_{12}O_{12}$ nano-cage for the first $CO_2$ was calculated -1.25 eV with a charge transfer of 1.00|e| from the nano-cage to the $CO_2$ molecule. The results show that $CO_2$ molecule was significantly detected by pristine $Zn_{12}O_{12}$ nano-cage, therefore the nano-cage can be used as $CO_2$ storage. Also, more efficient binding could not be achieved by increasing the $CO_2$ concentration. For Physisorption configurations, HOMO-LUMO gap of the configurations has not changed, while slight changes have been observed in the chemisorption configurations.

• Bulletin of the Korean Chemical Society
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• 제29권6호
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• pp.1115-1120
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• 2008

The adsorption of CO on W(110) surfaces was studied using thermal desorption spectroscopy (TDS), and core and valence level spectroscopy. At 120 K, CO forms a tilted structure at lower coverages ($\alpha$ 1), whereas it adsorbs normal to the surface at higher coverages ($\alpha$ 2). Tilted structures have been suggested to be precursors of dissociative chemisorption; however, experimental evidence is provided for the non-dissociative chemisorption of CO at temperatures above 900 K (which is referred to as the $\beta$ -state): TDS shows first order desorption kinetics. The core and valence level spectra of O/W(110) and those of $\beta$ -CO/W(110) are different. Most importantly, the 4$\sigma$ molecular orbital of CO can be identified in the valence level spectra of the $\beta$ -CO.

• 한국안전학회지
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• 제1권1호
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• pp.21-26
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• 1986

Gas sensing materials for detecting inflammable gas such as alcohol, propane, acetic acid, carbon monoxide, hydrogen were developed by utiliting $MgO-Cr_2O_3-TiO_2$ system. Between 30$0^{\circ}C$ and 50$0^{\circ}C$, reversible chemisorption becomes dominant and the electrical canduction of P-type semiconductive with the gas chemisorption. The ceramic sensor exhibits a high sensitivity to particular reducing gas such as alcohol, whereas propane and butane have little effect on the resistivity. The time response of adsorption is estimated to be about 20 sec. On the other hand, the desorption process, which corresponds to oxidation due to oxygen adsorption, take more than 60 sec. Thus the ceramic sensor can be used as a alcohol sensor in an ambient aunosphere. As the oxygen concentration is increased from 0.1 to 10 precent($10^3-10^6ppm$), the resistance decreases rapidly but stabilizes at higher concentration.

• 한국수소및신에너지학회논문집
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• 제14권4호
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• pp.305-312
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• 2003

A study is presented of the adsorption capacity of a number of different activated carbons for hydrogen at 100 bar aad 298 K. The hydrogen adsorption isotherm was measured by isothermal gravimetric analysis, using a microbalance. The effect of activated carbon's porosity on hydrogen adsorption capacity is surveyed. It is concluded that hydrogen adsorption capacity of activated carbon is lineally increased according to the increase of specific surface area and total pore volume, It seems that microporosity is more contributive than mesoporosity. Most of the adsorbed quantity is due to physical adsorption and chemisorption is negligible, In this work, 0.79 wt.% of hydrogen adsorption capacity is reached.

• Bulletin of the Korean Chemical Society
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• 제26권7호
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• pp.1075-1078
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• 2005

Hydrogen adsorption on various porous materials have been studied with a volumetric method at low temperature in the pressure of 0-760 torr. Their hydrogen uptakes depend at least partly on microporosity rather than total porosity. However, it is also necessary to consider other parameters such as pore size and pore architecture to explain the adsorption capacity. The heat of adsorption and adsorption-desorption-readsorption experiments show that the hydrogen adsorption over the porous materials are composed of physisorption with negligible contribution of chemisorption. Among the porous materials studied in this work, SAPO-34 has the highest adsorption capacity of 160 mL/g at 77 K and 1 atm probably due to high micropore surface area, micropore volume and narrow pore diameter.

• 한국전기전자재료학회논문지
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• 제24권11호
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• pp.929-934
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• 2011

The adsorption kinetic study of ruthenium complex, N3, onto nanoporous titanium dioxide ($TiO_2$) photoanodes has been carried out by measuring dye uptake in-situ. Three simplified kinetic models including a pseudo first-order equation, pseudo second-order equation and intraparticle diffusion equation were chosen to follow the adsorption process. Kinetic parameters, rate constant, equilibrium adsorption capacities and related coefficient coefficients for each kinetic model were calculated and discussed. It was shown that the adsorption kinetics of N3 dye molecules onto porous $TiO_2$ obeys pseudo second-order kinetics with chemisorption being the rate determining step. Additionally the heterogeneous surface and the pore size distribution of porous $TiO_2$ adsorbents were also discussed.

• Korean Chemical Engineering Research
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• 제59권2호
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• pp.260-268
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• 2021

Adsorption is the most promising technology used to adsorb CO2 to reduce its concentration in the atmosphere due to its functional effectiveness. Various porous materials have been extensively synthesized to boost CO2 adsorption efficiency, for example, zeolite. Here, we report the synthesis process of zeolite adsorbent impregnated with amine, combining the benefit of these two substances. We compared conventional heating with microwave-assisted heating by varying concentrations of monoethanolamine in methanol (10% v/v and 40% v/v) as a liquid solution. The results showed that monoethanolamine impregnation helps significantly increase adsorption capacity, where adsorption occurs as a physisorption and not as chemisorption due to the adsorbent's steric hindrance effect. The highest adsorption capacity of 0.3649 mmol CO2 / gram adsorbent was reached by microwave exposure for 10 minutes. This work also reveals that a decrease in CO2 adsorption capacity was observed at a longer exposure period, and it reached a constant 40-minute adsorption rate. Impregnating activated zeolite with 40% monoethanolamine for 10 minutes in addition to microwave exposure (0.8973 mmol CO2 / gram adsorbent) is the maximum adsorption ability achieved.

• 한국재료학회지
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• 제30권5호
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• pp.267-271
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• 2020

Cerium oxide (ceria, CeO₂) is one of the most wide-spread oxide supporting materials for the precious metal nanoparticle class of heterogeneous catalysts. Because ceria can store and release oxygen ions, it is an essential catalytic component for various oxidation reactions such as CO oxidation (2CO + O₂ 2CO₂). Moreover, reduced ceria is known to be reactive for water activation, which is a critical step for activation of water-gas shift reaction (CO + H₂O → H₂ + CO₂). Here, we apply van der Waals-corrected density functional theory (DFT) calculations combined with U correction to study the mechanism of water chemisorption on CeO₂(111) surfaces. A stoichiometric CeO₂(111) and a defected CeO₂(111) surface showed different water adsorption chemistry, suggesting that defected CeO₂ surfaces with oxygen vacancies are responsible for water binding and activation. An appropriate level of water-ceria chemisorption energy is deduced by vdW-corrected non-local correlation coupled with the optB86b exchange functional, whereas the conventional PBE functional describes weaker water-ceria interactions, which are insufficient to stabilize (chemisorb) water on the ceria surfaces.