• Bulletin of the Korean Chemical Society
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• 제12권5호
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• pp.574-582
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• 1991

The CO molecules adsorbed on Ni(111) surface is studied in the cluster approximation employing EH method with self-consistent charge iteration. The effect of CO coverage is simulated by allowing the variation of valence state ionization potentials of each Ni atom in model cluster according to the self-consistent charge iteration method. The CO coverage dependent C-O stretching frequency shift, adsorption site conversion, and metal work function change are attributed to the charge transfer between metal surface and adsorbate. For CO/Ni(111) system, net charge transfer from Ni surface to chemisorbed CO molecules makes surface Ni atoms be more positive with increasing coverage, and lowers Ni surface valence band. This leads to a weaker interaction between metal surface valence band and Co $2{\pi}^{\ast}$ MO, less charge transfer to a single CO molecule, and the bule shift of C-O stretching frequency. Further increase of coverage induces the conversion of 3-fold site CO to lower coordination site CO as well as the blue shift of C-O stretching frequency. This whole process is accompanied by the continuous increase of metal work function.

• 청정기술
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• 제13권4호
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• pp.287-292
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• 2007

상용 알루미나($Al_2O_3$)에 담지된 $M/Al_2O_3$ (M = Mn, Fe, Co, Ni, Cu) 촉매를 함침법에 의해 제조하였으며, 이를 에탄을 자열개질반응에 의한 수소제조에 적용하였다. 각각의 촉매는 고유한 금속상을 가지는 것으로 나타났으며, 생성물의 분포는 활성금속의 종류에 크게 의존하였다. 제조된 촉매 중에서, $M/Al_2O_3$ 및 Co/$Co/Al_2O_3$는 에탄을 자열개질반응에서 매우 우수한 촉매활성을 보였다. 그러나 두 촉매상에서의 반응메커니즘은 서로 다른 것으로 나타났다. $Ni/Al_2O_3$ 촉매는 $500^{\circ}C$의 반응온도에서 100%의 에탄올 전환율을 보였으나, 수소 선택도에서는 시간에 따라 급격한 저하현상을 나타내었다. 한편 $Co/Al_2O_3$ 촉매는 수소 선택도 면에서 우수한 활성을 보였으나, 에탄올 전환율이 저조하여 수소 수율에는 큰 변화가 나타나지 않았다.

• 한국수소및신에너지학회논문집
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• 제23권1호
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• pp.83-92
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• 2012

Syngas combustion characteristics of mass produced oxygen carrier particle (OCN706-1100) were investigated in a pressurized fluidized bed reactor using simulated syngas and air as reactants for reduction and oxidation, respectively. The oxygen carrier showed high fuel conversion, high $CO_2$ selectivity, and low CO concentration at reduction conditions and no NO emission at oxidation conditions. Moreover, OCN706-1100 particle showed good regeneration ability during successive reduction-oxidation cyclic tests up to the 10th cycle. Fuel conversion and $CO_2$ selectivity decreased and CO emission increased as temperature increased. These results can be explained by trend of calculated equilibrium CO concentration with temperature. However, fuel conversion and $CO_2$ selectivity increased and CO emission decreased as pressure and gas residence time increased.

• 한국수소및신에너지학회논문집
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• 제23권4호
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• pp.337-345
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• 2012

To check effects of operating variables on reaction characteristics of WGS catalyst for SEWGS process, water gas shift reaction tests were carried out in a pressurized fluidized bed reactor using commercial WGS catalyst and sand(as a substitute for $CO_2$ absorbent) as bed materials. Simulated syngas(mixed with $N_2$) was used as a reactant gas. Operating temperature was $210^{\circ}C$ and operating pressure was 20 bar. WGS catalyst content, steam/CO ratio, gas velocity, and syngas concentration were considered as experimental variables. CO conversion increased as the catalyst content and steam/CO ratio increased. CO conversion at fluidized bed condition was higher than that of fixed bed condition. However, CO conversion were maintained almost same value within the fluidized bed condition. CO conversion decreased as the syngas concentration increased. The optimum operation condition was confirmed and long time water gas shift reaction test up to 24 hours at the optimum operating conditions was carried out.

• 한국분말재료학회지
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• 제10권4호
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• pp.228-234
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• 2003

In the present study, the focus is on the synthesis of titanium carbide/cobalt composite powder by the spray thermal conversion process using metallic salt solution as the raw materials. Two types of oxide powders of Ti-Co-O system were prepared by the spray drying of two types of metallic salt solutions : titanium chloride-cobalt nitrate and $TiO_2$ powder-cobalt nitrate solutions. These oxide powders were mixed with carbon black, and then these mixtures were carbothermal reduced under a flowing argon atmosphere. The changes in the phase structure and thermal gravity of the mixtures during carbothermal reduction were analysed using XRD and TG-DTA. In the case of using the titanium chloride-cobalt nitrate solution, it could not be obtained TiC/Co composite powder due to contamination of the impurities during the spray drying of the solution. However, in tile case of using the $TiO_2$ powder-cobalt nitrate scullion, TiC-15 wt. %Co composite powder could be synthesized by the spray thermal conversion process. The synthesized TiC-15 wt. %Co composite powder at 120$0^{\circ}C$ for 2 hours has average particle size of 150 nm.

• 한국수소및신에너지학회논문집
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• 제23권2호
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• pp.173-182
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• 2012

Effects of temperature, pressure, and gas residence time on methane combustion characteristics of mass produced oxygen carrier particle (OCN706-1100) were investigated in a pressurized fluidized bed reactor using methane and air as reactants for reduction and oxidation, respectively. The oxygen carrier showed high fuel conversion, high $CO_2$ selectivity, and low CO concentration at reduction condition and very low NO emission at oxidation condition. Moreover OCN706-1100 particle showed good regeneration ability during successive reduction-oxidation cyclic tests up to the 10th cycle. Fuel conversion and $CO_2$ selectivity decreased and CO emission increased as temperature increased. These results can be explained by trend of calculated equilibrium CO concentration. However, $CO_2$ selectivity increased as pressure increased and fuel conversion increased as gas residence time increased.

• 한국연소학회지
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• 제13권4호
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• pp.47-53
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• 2008

The reaction mechanism of methane dry reforming has been investigated using an arc-jet reactor. The effects of input power, $CO_2/CH_4$ and added $O_2$ were investigated by product analysis, including CO, $H_2$, $C_{2}H_{Y}$ and $C_{3}H_{Y}$ as well as $CH_4$ and $CO_2$. In the process, input electrical power activated the reactions between $CH_4$ and $CO_2$ significantly. The increased feed ratio of the $CO_2$ to $CH_4$ in the dry reforming does not affect to the $CH_4$ conversion. but we could observe increase in CO selectivity together with decreasing $H_2$ generation. Added oxygen can also increase not only CO selectivity but also $CH_4$ conversion. However, hydrogen selectivity was decreased significantly due to a increased $H_{2}O$ formation.

• 청정기술
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• 제29권1호
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• pp.39-45
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• 2023

To investigate the effects of Mg addition at different aging times and temperatures, Cu/MgO/Al₂O₃ catalysts were synthesized for the low-temperature water gas shift (LT-WGS) reaction. The co-precipitation method was employed to prepare the catalysts with a fixed Cu amount of 30 mol% and varied amounts of Mg/Al. Synthesized catalysts were characterized using XRD, BET, and H₂-TPR analysis. Among the prepared catalysts, the highest CO conversion was achieved by the Cu/MgO/Al₂O₃ catalyst (30/40/30 mol%) with a 60 ℃ aging temperature and a 24 h aging time under a CO₂-rich feed gas. Due to it having the lowest reduction temperature and a good dispersion of CuO, the catalyst exhibited around 65% CO conversion with a gas hourly space velocity (GHSV) of 14,089 h-1 at 300 ℃. However, it has been noted that aging temperatures greater or less than 60 ℃ and aging times longer than 24 h had an adverse impact, resulting in a lower surface area and a higher reduction temperature bulk-CuO phase, leading to lower catalytic activity. The main findings of this study confirmed that one of the main factors determining catalytic activity is the ease of reducibility in the absence of bulk-like CuO species. Finally, the long-term test revealed that the catalytic activity and stability remained constant under a high concentration of CO₂ in the feed gas for 19 h with an average CO conversion of 61.83%.

• 한국산업융합학회 논문집
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• 제25권6_3호
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• pp.1275-1284
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• 2022

This study provides an investigating the electrolyte reaction characteristics during thermal runaway of a lithium-ion battery(LIB). Dimethyl carbonate(DMC) is known as the main substance that makes up the electrolyte. The mono-molecular decomposition characteristics of DMC were derived through numerical analysis. Cobalt oxide can release oxygen under high temperature conditions. Also, DMC is converted to CH₄, H₂, CO, and CO₂. Especially, it was found that the decomposition of the DMC begins at a temperature range of 340-350℃, which dramatically increases the internal pressure of the LIB. In the by-products gases, the molar ratio of CO and CO₂ changed according to the molecular structure of DMC and temperature conditions. The correlation of the [CO]/[CO₂] ratio according to the temperature during thermal runaway was derived, and the characteristics of the reaction temperature could be estimated using the molar ratio as an indicator. In addition, the oxidation and decomposition characteristics of DMC according to the residence time for each temperature were estimated. When DMC is exposed to low temperature for a long time, both oxidation and decomposition may occur. There is possibility of not only increasing the internal pressure of the LIB, but also promoting thermal runaway. In this study, internal environment of LIB was identified and the reaction characteristics between the active materials of the cathode and electrolyte were investigated.

• Korean Chemical Engineering Research
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• 제51권1호
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• pp.116-120
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• 2013

관상의 광촉매 반응기에서 Pt가 담지된 $TiO_2$ 광촉매를 사용한 CO 전환 반응에 의해 CO를 제거하는 광촉매 공정에 대해 고찰하였다. $TiO_2$ 촉매에 Pt를 담지하는 방법, CO를 포함한 기체흐름속도, 기체흐름에 포함된 CO의 농도 그리고 기체의 수분함량이 CO를 $CO_2$로 전환하는 반응의 전환율에 미치는 영향을 검토하였다. Pt/$TiO_2$ 광촉매가 관의 내부에 코팅된 관상광촉매 반응기에서 진행된 실험결과 기체의 흐름속도 범위가 0.01~0.25 m/s, CO의 농도가 20~100 ppm 그리고 기체의 상대습도가 20~40%의 범위에서 CO는 UV의 조사 조건에서 거의 100% 정도 제거될 수 있었다. 기체흐름에 포함된 CO의 전환율은 기체의 흐름속도가 증가할수록 그리고 포함된 CO의 농도가 증가할수록 점점 감소하였다. 기체 흐름에 포함된 수분은 OH 라디칼을 형성함으로써 CO의 제거를 촉진할 수 있었다.