• Journal of the Korean Electrochemical Society
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• v.8 no.4
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• pp.155-161
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• 2005

In this paper, commercial CFD program FLUENT v5.3 is used for simulation of MCFC stack. Besides using conservation equations included in FLUENT by default, mass change, mole fraction change and heat added or removed due to electrochemical reactions and water gas shift reaction are considered by adding several equations using user defined function. The stacks calculated are 6 and 25 kW class coflow stack which are composed of 20 and 40 unit cells respectively. Simulation results showed that pressure drop took place in the direction of gas flow, and the pressure drop of cathode side is more larger than that of anode side. And the velocity of cathode gas decreased along with the gas flow direction, but the velocity of anode gas increased because of the mass and volume changes by the chemical reactions in each electrodes. Simulated temperature profile of the stack tended to increase along with the gas flow direction and it showed similar results with the experimental data. Water gas shift reaction was endothermic at the gas inlet side but it was exothermic at the outlet side of electrode respectively. Therefore water gas shift reaction played a role in increasing temperature difference between inlet and outlet side of stack. This results suggests that the simulation of large scale commercial stacks need to consider water gas shift reaction.

• Transactions of the Korean hydrogen and new energy society
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• v.35 no.2
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• pp.162-167
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• 2024

Fossil fuels have been main energy source to people. However, enormous amount of CO₂ was emitted over the world , resulting in global climate crisis today. Recently, solid oxide electrolyzer cell (SOEC) is getting attention as an effective way for producing H₂, a clean energy resource for the future. Also, SOEC could be applicable to reverse water-gas shift reaction process due to its high-temperature operating condition. Here, SOEC system was utilized for both H₂ production and CO₂ reduction process, allowing product gas composition change by controlling operating conditions.

• Journal of the Korean Institute of Gas
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• v.8 no.3 s.24
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• pp.16-23
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• 2004

A membrane reactor concept, which combines the typical characteristics of chemical reaction with separation process, has been analyzed and simulated in this study. The advantages of the use of a membrane reactor include chemical equilibrium shift towards higher reactant conversion and purer product than the traditional reactors. A membrane reactor model which incorporates a catalytic reaction zone and a separation membrane is proposed. The water-gas shift reaction to produce hydrogen was chosen as a model reaction to be investigated. The membrane reactor is divided into smaller parts by number of n and each part (named cell), which contains both reaction and product separation function is modeled. One of the membrane outlet streams is connected to the next cell, which is repeated up to the last cell. The simulation results can be used for various purposes including decision of optimum operating condition and membrane reactor design.

• Transactions of the Korean hydrogen and new energy society
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• v.30 no.2
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• pp.103-110
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• 2019

Cu-Zn-Al catalysts were prepared via co-precipitation method for low-temperature water-gas shift (LT-WGS) reaction under practical reaction condition. Aging time was systematically changed to find optimum point for LT-WGS under practical condition. The Cu-Zn-Al catalyst aged for 72 hours showed the highest CO conversion within low-temperature range as well as very stable catalytic activity for 200 hours despite the practical reaction condition.

• Korean Chemical Engineering Research
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• v.43 no.3
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• pp.331-343
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• 2005

Development of hydrogen station system is an important technology to commercialize fuel cells and fuel cell powered vehicles. Generally, hydrogen station consists of hydrogen production process including desulfurizer, reformer, water gas shift (WGS) reactor and pressure swing adsorption (PSA) apparatus, and post-treatment process including compressor, storage and distributer. In this review, we investigate the R&D trends and prospects of hydrogen station in domestic and foreign countries for opening the hydrogen economy society. Indeed, the reforming of fossil fuels for hydrogen production will be essential technology until the ultimate process that may be water hydrolysis using renewable energy source such as solar energy, wind force etc, will be commercialized in the future. Hence, we also review the research trends on unit technologies such as the desulfurization, reforming reaction of fossil fuels, water gas shift reaction and hydrogen separation for hydrogen station applications.

• 한국신재생에너지학회:학술대회논문집
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• 2010.11a
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• pp.111.1-111.1
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• 2010

This paper focuses on a systematic configuration of steam reforming fuel processor, particularly designed for small and medium sized hydrogen production application. In a typical integration of the fuel processor, there exist significant temperature gradients over the entire system which has negative effect on both catalyst life-time and system performance. Also, the volumetric inefficiency should be avoided to obtain the possible compactness for the commercial purpose. In the present work, the computational analysis will be performed to gain the fundamental insight on the transport phenomena and chemical reactions in the reformer consisting of preheating, steam reforming (SR), and water gas shift (WGS) reaction beds in the flow direction. Also, the fuel processing system includes a top-fired burner providing necessary thermal energy for endothermic catalytic reactor. A fully two-dimensional numerical modeling for a integrated fuel processing system is introduced for in-depth analysis of the heat and mass transport phenomena based on surface kinetics and catalytic process. In the model, water gas shift reaction and decomposition reaction were assumed to be at equilibrium. A kinetic model was developed and then computational results were compared with the experimental data available in the literature. Finally, the case study was done by considering the key parameters, i.e. steam to carbon (S/C) ratio and temperature. The computer-aided models developed in this study can be greatly utilized for the design of advanced fast-paced compact fuel processors research.

• Applied Chemistry for Engineering
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• v.16 no.2
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• pp.282-287
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• 2005

Palladium membranes, which are permselective to hydrogen separation, were used for the hydrogen purification and in membrane reactors for improving conversions by shifting the reaction equilibrium. Palladium/ceramic composite membranes were prepared by electroless plating technique and then etched in titanium chloride ($TiCl_4$) as a post treatment to enhance the membrane's durability. These membranes were used for membrane reactors in water gas shift (WGS) reaction. CO conversions for the membrane reactor were obtained according to experimental parameters and compared to the traditional reactor without a palladium/ceramic membrane. As a result, CO conversion using palladium membrane reactor at an appropriate condition was over 20~25% greater than that without the membrane reactor. The stability in the long-term test of up to 120 h for WGS reaction with the membrane reactor was good without the degredation of CO conversion.

• Applied Chemistry for Engineering
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• v.25 no.2
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• pp.204-208
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• 2014

This study investigated the effect of hydrogen permeance and selectivity, catalyst amount, $H_2O/CO$ ratio in a feed stream, and Ar sweep gas on the performance of a water gas shift reaction in a membrane reactor. It was observed that a minimum hydrogen selectivity of 100 was needed in a membrane reactor to obtain a hydrogen yield higher than the one at equilibrium and the hydrogen yield enhancement gradually decreased as the hydrogen permeance increased. The CO conversion in a membrane reactor initially increased with the catalyst amount and reached a plateau later for a membrane reactor with a low hydrogen permeance while the high CO conversion independent of a catalyst amount was observed for a membrane reactor with a high hydrogen permeance. For the $H_2O/CO$ ratio in a feed stream higher than 1.5, a hydrogen permeance had little effect on the CO conversion in a membrane reactor and it was found that a minimum Ar molar flow rate of $6.7{\times}10^{-6}mol\;s^{-1}$ was needed to achieve the CO conversion higher than the one at equilibrium in a membrane reactor.

• Korean Chemical Engineering Research
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• v.49 no.1
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• pp.21-27
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• 2011

The comparison work was conducted for the methanol steam reforming among commercial Cu-based catalysts, viz. ICI-M45, which is for the methanol synthesis, MDC-3 and MDC-7, which are for the water-gas shift reaction. The catalytic activity for the water-gas shift reaction was also compared over three catalysts. Among them, MDC-7 showed the highest methanol conversion and formation rate of hydrogen and carbon dioxide at 473 K for the methanol steam reforming. To find out any promotional effect between ICI-M45 and MDC-7, three different packing methods with these two catalysts were examined. However, no synergistic effect was observed. The catalytic activity for watergas shift reaction decreased in the following order: MDC-7 > MDC-3 > ICI-M45. The highest activity of MDC-7 for the methanol steam reforming as well as the water-gas shift reaction can be due to its high surface area, copper dispersion, and an adequate Cu/Zn ratio.

• Clean Technology
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• v.29 no.1
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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%.