• 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.

• Transactions of the Korean hydrogen and new energy society
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• v.28 no.5
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• pp.453-458
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• 2017

A study on the modeling of the methane Chemical Looping Reforming system was carried out. It is aimed to predict the temperature and concentration behavior of the product through modeling of oxygen carrier fixed bed reactors composed of multiple stacks. In order to design the reaction system, first of all, the flow rate of the hydrogen to be produced was calculated. The flow rate ratio of the oxidation/reduction reactor was calculated considering the heat of reaction between adjacent reactors. Finally, in this paper, kinetic model including empirical coefficients was suggested.

• Journal of the Korean Electrochemical Society
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• v.2 no.1
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• pp.13-16
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• 1999

A mathematical analysis of bipolar electrode reactor model for complex electrochemical reactions could estimate total current from time-concentration data, which coincided well with experimental total current data. Thus behaviour of bipolar electrode reactor could be described by a proposed simulation model. This paper demonstrates how such a model can be used a useful tool in the design for pilot plant experimentation.

• Journal of the Korean Institute of Gas
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• v.20 no.4
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• pp.65-77
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• 2016

Modeling for complex reacting flow in Fischer-Tropsch reactor is one of the challenges in the field of Computational Fluid Dynamics (CFD). It is hard to derive each and every reaction rate for all chemical species because Fisher-Tropsch reaction produces many kinds of hydrocarbons which include lots of isomers. To overcome this problem, after analyzing the existing methodologies for reaction rate modeling, non-Anderson-Schulz-Flory methodology is selected to model the detailed reaction rates. In addition, the inside flow has feature of multi-phase flow, and the methodologies for modeling multi-phase flow depend on the interference between the phases, distribution of the dispersed phase, flow pattern, etc. However, existing studies have used a variety of inside flow modeling methodologies with no basis or rationale for the feasibility. Modeling inside flow based on the experimental observation of the flow would be the best way, however, with limited resources we infer the probable regime of inside flow based on conventional fluid dynamics theory; select the appropriate methodology of Mixture model; and perform systematic CFD modeling. The model presented in this study is validated through comparisons between experimental data and simulation results for 10 experimental conditions.

• 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.