• 한국전산유체공학회:학술대회논문집
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• 2011.05a
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• pp.112-116
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• 2011

In this paper, a preconverter of MCFC for an emergence electric power supplier is numerically simulated to increase the hydrogen production from natural gas (methane). Commercial code is used to simulated the porous catalyst with user subroutine to model three dominant chemical reactions which are Stream Reforming(SR), Water-Gas Shift(WGS), and Direct Stram Reforming(DSR). To get 10% fuel conversion rate in preconverter. the required external heat flux is supplied from outer wall of preconverter. The calculated results show that very nonuniform temperature distribution and chemical reaction happen near the wall of preconverter. These phenomena can be explained by the low heat conductivity of porous catalyst and the endothermic reforming reaction.

• Transactions of the Korean hydrogen and new energy society
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• v.30 no.6
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• pp.485-489
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• 2019

Hydrogen is known to be a clean fuel which does not generate a green house gas during the combustion. However, about 8 kg of carbon dioxide is generated during the course of producing 1 kg of hydrogen through reforming, water gas shift reaction and pressure swing adsorption in order to obtain a high purity hydrogen over 99.999% by volume. In this work, carbon dioxide generation is estimated according to four kinds of natural gas compositions supplied by Korea Gas Corporation and regarding natural gas as pure methane. For the simulation of the modeling, PRO/II with PROVISION V10.2 at AVEVA was utilized and Peng-Robinson equation of state with Twu's alpha function was selected.

• Korean Chemical Engineering Research
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• v.46 no.5
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• pp.931-937
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• 2008

Rigorous multiscale modelling and simulation of the MTR for WGSR was carried out to accurately predict the behavior of process variables and the reactor performance. The MTR consists of 4 fixed bed tube reactors packed with heterogeneous catalysts, as well as surrounding shell part for the cooling purpose. Considering that fluid flow field and reaction kinetics give a great influence on the reactor performance, employing multiscale methodology encompassing Computational Fluid Dynamics (CFD) and process modeling was natural and, in a sense, inevitable conclusion. Inlet and outlet temperature of the reactant fluid at the tube side was $345^{\circ}C$ and $390^{\circ}C$, respectively and the CO conversion at the exit of the tube side with these conditions approached to about 0.89. At the shell side, the inlet and outlet temperature of the cooling fluid, which flows counter-currently to tube flow, was $190^{\circ}C$ and $240^{\circ}C$. From this heat exchange, the energy saving was achieved for the flow at shell side and temperature of the tube side was properly controlled to obtain high CO conversion. The simulation results from this research were accurately comparable to the experimental data from various papers.

• Transactions of the Korean hydrogen and new energy society
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• v.31 no.1
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• pp.57-64
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• 2020

The water-gas shift reaction for the compact reformer was carried out at a gas hourly space velocity of 72,152 h^-1 over the Cu-Nb-CeO₂ catalysts prepared by co-precipitation method. In order to investigate the effect of Nb₂O₅ promotion over a Cu-CeO₂ catalyst, the Nb₂O₅ loading amount was systematically changed from 0 to 5 wt.%. Among the prepared catalysts, the Cu-Nb-CeO₂ (1%) catalyst showed the highest catalytic activity (CO conversion=61% at 400℃) as well as 100% CO₂ selectivity. The high activity and stability of Cu-Nb-CeO₂ (1%) catalyst are correlated to high Brunauer-Emmett-Teller surface area, small metallic Cu crystallite size, and enhanced redox property.

• Journal of Energy Engineering
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• v.22 no.2
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• pp.226-236
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• 2013

The heat distribution and internal flow from the efficiency of actual reformer and specification variation, using the computer simulation and experiment about the steam methane reforming reaction which uses the high temperature reformer. Reaction model from steam refoemer uses the steam response model developed by Xu & Froment.As result we supposed the chemical react Steam Reforming(SR), Water Gas Shift(WGS), and Direct Steam Reforming(DSR) from the inner high temperature reformer dominates the response has dissimilar response. According to result of steam methane reforming reaction exam using high temperature reformer, we figured out when Steam Carbon Ratio(SCR) increase, number of hydrogen yield increases but methane decreases. When comparing and examining between design with one inlet and two inlet, result came out one inlet design is more outstanding at thermal distribution and internal flow, hydrogen yield in one inlet design than two inlet design.

• Applied Chemistry for Engineering
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• v.28 no.3
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• pp.339-344
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• 2017

Reaction characteristics and catalytic activities on reverse water gas shift (RWGS) reaction over $Pt/TiO_2$ catalyst and Pt based catalysts added promoters were investigated. It was confirmed that RWGS reaction activity was affected by the kind of supports and active metals and the $Pt/TiO_2$ catalyst showed the highest catalytic activity. From various inlet $CO_2$ concentration tests and also the evaluation of thermodynamic equilibrium conversion, the catalytic activity of $Pt/TiO_2$ catalyst could be evaluated objectively and it was found to be higher than that of commercial catalysts. The catalytic activity could increase by adding Ca and Na as promoters. The XPS analysis revealed that the catalytic activity is closely correlated with the electron density of surface active sites.

• Journal of the Korean Chemical Society
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• v.46 no.3
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• pp.265-278
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• 2002

A concept test was administered to college students and teachers to identify their understanding of chemical equilibrium and equilibrium shift. The subjects were 53 freshmen in the General Chemistry class, 28 juniors in the Physical Chemistry class and 26 seniors from a university and 10 high school teachers in Seoul. Test items include the calculations of partial pressure and concentration of the gas in the mixture, the equilibrium constant cal-culation and the prediction of equilibrium shift when an inert gas is added to the gaseous reaction system, and the equilibrium concentration calculation and the prediction of equilibrium shift when water or common ion is added to the weak acid solution. The test was focused to identify whether the subjects can predict equilibrium shift using the reaction quotient change for the situations in which Le Chatelier principle is difficult to apply. The results showed that the achievements of teachers and juniors were significantly higher than those of freshmen and seniors. Many stu-dents had difficulties in predicting equilibrium shift using the reaction quotient while they could calculate partial pres-sure and concentration for the same situation. It means they are lack of conceptual understanding of chemical equilibrium shift.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.32 no.8
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• pp.636-644
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• 2008

The objective of this paper is to investigate characteristics of an autothermal reformer at various operating conditions. Numerical method has been used, and simulation model has been developed for the analysis. Pseudo-homogeneous model is incorporated because the reactor is filled with catalysts of a packed-bed type. Dominant chemical reactions are Full Combustion reaction, Steam Reforming(SR) reaction, Water-Gas Shift(WGS) reaction, and Direct Steam Reforming(DSR) reaction. Simulation results are compared with experimental results for code validation. Operating parameters of the autothermal reformer are inlet temperature, Oxygen to Carbon Ratio(OCR), Steam to Carbon Ratio(SCR), and Gas Hourly Space Velocity(GHSV). Temperature at the reactor center, fuel conversion, species at the reformer outlet, and reforming efficiency are shown as simulation results. SR reaction rate is improved by increased inlet temperature. Reforming efficiency and fuel conversion reached the maximum at 0.7 of OCR. SR reaction and WGS reaction are activated as SCR increases. When GHSV is increased, reforming efficiency increases but pressure drop from the increased GHSV may decrease the system efficiency.

• Korean Membrane Journal
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• v.1 no.1
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• pp.1-7
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• 1999

Pd-ceramic composite membranes and catalytic membrane reactors(CMR) have been studied for hydrogen and its isotopes (deuterium and tritium) purification and recovery in the fusion reactor fuel cycle. Particularly a closed-loop process has been studied for recovering tritium from tritiated water by means of a CMR in which the water gas shift reaction takes place. The development of the techniques for coating micro-porous ceramic tubes with Pd and Pd/Ag thin layers is described : P composite membranes have been produced by electroless deposition (Pd/Ag film of 10-20 $\mu$m) and rolling of thin metal sheets (Pd and Pd/Ag membranes of 50-70 $\mu$m). Experimental results of the electroless membranes have shown a not complete hydrogen selectivity because of the presence of some defects(micro-holes) in the metallic thin layer. Conversely the rolled thin Pd and Pd/ag membranes have separated hydrogen from the other gases with a complete selectivity giving rise to a slightly larger (about a factor 1.7) mass transfer resistance with respect to the electroless membranes. Experimental tests have confirmed the good performances of the rolled membranes in terms of chemical stability over several weeks of operation. Therefore these rolled membranes and CMR are adequate for applications in the fusion reactor fuel cycle as well as in the industrial processes where high pure hydrogen is required (i.e. hydrocarbon reforming for fuel cell)

• 한국신재생에너지학회:학술대회논문집
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• 2009.06a
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• pp.745-748
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• 2009

수소는 지구상에 풍부하게 존재하는 원소로 최근 수소경제시대에 대한 기대와 함께 청정 에너지 carrier로 주목받고 있다. 본 연구에서는 고순도 수소 생산을 위해 water gas shift (WGS) 반응과 $CO_2$의 분리를 하나의 unit operation의 형태로 수행하는 신개념의 thermal swing sorption enhanced reaction (TSSER) 공정의 타당성을 테스트하는데 목적을 두고 있다. Le Chatelier 원리를 기본으로 하는 흡착분리 동시 반응 (sorption enhanced reaction, SER)에서는 수소생산 반응의 열역학적 한계를 극복할 수 있고 정반응의 속도를 증대시킬 수 있다. 본 연구에서는 $K_2CO_3$가 첨가된 hydrotalcite에 대한 고온에서의 $CO_2$ 화학흡착 평형 및 거동 데이터를 실험을 통하여 측정하였다. 또한 WGS 상용촉매와 화학 흡착제를 이용하여 흡착분리 동시 반응을 실험과 수치해석 시뮬레이션으로 수행하였고, 연구결과로부터 연료전지에 사용할 수 있는 고순도의 수소 (~10 ppm CO)를 직접 생산할 수 있으며, 동시에 고압상태의 $CO_2$를 고순도로 포집할 수 있음을 확인할 수 있었다. 고압, 고순도의 $CO_2$ 포집은 이후 $CO_2$ 저장에 용이하게 이용되어 온실가스 저감에 기여할 수 있을 것으로 기대된다.