• Transactions of the Korean hydrogen and new energy society
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• v.27 no.5
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• pp.494-502
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• 2016

A 1-dimensional heterogeneous reactor model with the gas-solid interfacial phase gradients was developed for the simulation of the packed bed reactor where the exothermic reversible water gas shift reaction for the natural gas steam reformed gas was proceeding in adiabatic mode. Experimental results obtained over the WGS catalyst, C18-HA, were best simulated when the frequency factor of the reaction rate constant was adjusted to a half the value reported over another WGS catalyst, EX-2248, having the same kinds of active components as the C18-HA. For the reactor of the inside diameter 158.4 mm and the bed length 650 mm, the optimum feeding temperature of the reformed gas was simulated to be $194^{\circ}C$, giving the lowest CO content in the product gas by 1.68 mol% on the basis of dried gas. For reactors more extended in the bed length, the possible lowest CO content in the product gas with the optimum feeding temperature of the reformed gas were suggested.

• Membrane Journal
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• v.20 no.3
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• pp.228-234
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• 2010

In this study, dynamic simulation of membrane reactor was performed for water gas shift reaction and temperature, hydrogen concentration, etc. were investigated as a function of time and position. Simulation results indicated that differences of hydrogen concentration, hydrogen partial pressure, and temperature in the radial direction, were larger in the entrance than in the exit. In addition, the hydrogen flux was the largest in the entrance, where the hydrogen partial pressure difference was the largest, and the conversion of carbon monoxide in the exit was about 0.65.

• Korean Chemical Engineering Research
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• v.45 no.6
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• pp.582-590
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• 2007

In view of the analysis of the phenomena and the prediction of the performance, mathematical modelling and simulation of a high temperature pilot reactor for water gas shift reaction (WGSR) has been carried out. Multiscale simulation incorporated computational fluid dynamics (CFD) technique, which has the capability to deal with the reactor shape, fluid and energy transport with extensive degree of accuracy, and process modeling technique, which, in turn is responsible for reaction kinetics and mass transport. This research employed multiscale simulation and the results were compared with those from process simulation. From multiscale simulation, the maximum conversion of was predicted approximately 0.85 and the maximum temperature at the reactor was calculated 720 K, resulting from the heat of reaction. Dynamic simulation was also performed for the time transient profile of temperature, conversion, etc. Considering the results, it is concluded that multiscale simulation is a safe and accurate technique to predict reactor behaviors, and consequently will be available for the design of commercial size chemical reactors as well as other commercial unit operations.

• Transactions of the Korean hydrogen and new energy society
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• v.22 no.6
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• pp.905-912
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• 2011

In this study, the novel concept catalytic reactor was designed for water-gas shift reaction (WGS) under high pressure. The novel concept catalytic reactor was composed of an autoclave, the catalyst, and liquid water. Cu-ZnO/$Al_2O_3$ as the low temperature shift catalyst was used for WGS reaction. WGS in the novel concept catalytic reactor was carried out at the ranges of 150~$250^{\circ}C$ and 30~50 atm. The liquid water was filled at the bottom of the autoclave catalytic reactor and the catalyst of pellet type was located at the gas-liquid water interface. It was concluded that WGS reaction occurred over the surface of catalysts partially wetted with liquid water. The conversion of CO for WGS was also controlled with changing content of Cu and ZnO used as the catalytic active components. Meanwhile, the catalyst of honey comb type coated with Cu-ZnO/$Al_2O_3$ was used in order to increase the contact area between wet-surface of catalyst and the reactants of gas phase. It was confirmed from these experiments that $H_2$/CO ratio of the simulated coal gas increased from 0.5 to 0.8 by WGS at gas-liquid water interface over the wet surface of honey comb type catalyst at $250^{\circ}C$ and 50 atm.

• Transactions of the Korean hydrogen and new energy society
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• v.22 no.4
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• pp.465-473
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• 2011

To find the optimum mixing ratio of WGS catalyst with $CO_2$ absorbent for SEWGS process, water gas shift reaction tests were carried out in a fluidized bed reactor using commercial WGS catalyst and sand (as a substitute for $CO_2$ absorbent). WGS catalyst content, gas velocity, and steam/CO ratio were considered as experimental variables. CO conversion increased as the catalyst content increased during water gas shift reaction. Variations of the CO conversion with the catalyst content were small at low gas velocity. However, those variations increased at higher gas velocity. Within experimental range of this study, the optimum operating condition(steam/CO ratio=3, gas velocity = 0.03 m/s, catalyst content=10 wt.%) to get high CO conversion and $CO_2$ capture efficiency was confirmed. Moreover, long time water gas shift reaction tests up to 20 hours were carried out for two cases (catalyst content = 10 and 20 wt.%) and we could conclude that the WGS reactivity at those conditions was maintained up to 20 hours.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.31 no.10
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• pp.855-859
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• 2007

Hydrogen as an energy carrier in fuel cell offers perhaps the largest potential benefits of reduced emissions of pollutants and greenhouse gases. The generation of high-purity hydrogen from hydrocarbon fuels is essential for efficient operation of fuel cell. Reduction of carbon monoxide to an acceptable level of 10ppm involves high temperature and low temperature water gas shift (WGS), followed by selective oxidation of residual carbon monoxide. The WGS reactor was designed and tested in this study to produce hydrogen-rich gas with CO to less than 5000 ppm. In the water gas shift operation, gas emerges from the reformer is taken through a high temperature shift (HTS) catalyst to reduce the CO concentration to about $2{\sim}4%$ followed to about 5000 ppm via a low temperature shift (LTS) catalyst.

• 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.

• 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.

• 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.

• 한국신재생에너지학회:학술대회논문집
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• 2009.06a
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• pp.731-734
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• 2009

KIER has been developed a compact and highly efficient fuel processor which is one of the key component of the residential PEM fuel cells system. The fuel processor uses methane steam reforming to convert natural gas to a mixture of water, hydrogen, carbon dioxide, carbon monoxide and unreacted methane. Then carbon monoxide is converted to carbon dioxide in water-gas-shift reactor and preferential oxidation reactor. A start-up time of the fuel processor is about 1h and CO concentration among the final product is maintained less than 5 vol. ppm. To achieve high thermal efficiency of 80% on a LHV basis, an optimal thermal network was designed. Internal heat exchange of the fuel processor is so efficient that the temperature of the reformed gas and the flue gas at the exit of the fuel processor remains less than $100^{\circ}C$. A compact design considering a mixing and distribution of the feed was applied to reduce the reactor volume. The current volume of the fuel processor is 17L with insulation.