• 대한기계학회:학술대회논문집
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• 대한기계학회 2000년도 추계학술대회논문집B
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• pp.328-334
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• 2000

The hybrid catalytic(catalytic+thermal) combustor of a lean methane-air mixture on platinum catalyst was investigated numerically using a 2-D boundary layer model with detailed homogeneous and heterogeneous chemistries. For the more accurate calculations, the actual surface site density of monolith coated with platinum was decided by the comparison with experimental data. It was found that the homogeneous reactions in the monolith had little effect on the change of temperature profile, methane conversion rate and light off location. However, the radicals such as OH and CO were produced rapidly at exit by homogeneous reactions. Thus the homogeneous reactions were important to predict the productions of CO and NOx exactly. In thermal combustor, the production of $N_2O$ was more dominant than that of NO due to the relative important of the reaction $N_2+O(+M){\to}N_2O(+M)$. Finally the production of CO and NOx by amount of methane addition were studied.

• 한국전산유체공학회지
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• 제18권3호
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• pp.87-93
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• 2013

A computational study has been performed to examine the effects of catalytic walls on the stagnation region heat transfer. The boundary conditions for none, finite, and fully catalytic walls have been incorporated into a multi-block compressible Navier-Stokes solver. In the present study, both chemical and thermal non-equilibrium effects were included. The flows over a blunt body model were simulated by varying surface catalytic recombination rates. A full range of catalycities was explored in the context of a constant wall temperature assumption. Detailed information on species concentrations, temperature, and surface heat flux are presented. Comparison with available flight data of surface heat flux is also made.

• 한국자동차공학회논문집
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• 제14권6호
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• pp.137-142
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• 2006

This research represents the catalytic converter for application in the motorcycle. Present research model type is monolithic catalytic converter and this type have been widely used for satisfaction on and the regulations of pollutant emissions in automobiles. The flow characteristics in a single monolith automotive catalytic converter were investigated by using a computational simulation method without chemical reaction. So we limit the discussion to the effect of flow uniformity in the catalytic converter. Simulation result shows that the flow uniformity of megaphone type catalytic converter is higher than that of a base type. Therefore, the megaphone type is more suitable to motorcycle.

• 공업화학
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• 제32권6호
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• pp.706-710
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• 2021

In the current research, thermal and catalytic thermogravimetric (TG) analysis of polyethylene terephthalate (PET) over natural zeolite (NZ), olivine, bentonite, HZSM-5, and HAl-MCM-41 were investigated using a TG analyzer and model-free kinetic analysis. Catalytic TG analysis of PET was carried out at multi-heating rates, 10, 20, 30, and 40 ℃/min, under nitrogen atmosphere. Apparent activation energy (Ea) values for the thermal and catalytic pyrolysis of PET were calculated using Flynn-Wall-Ozawa method. Although natural catalysts, NZ, olivine, and bentonite, could not lead the higher PET decomposition efficiency than synthetic zeolites, HZSM-5 and HAl-MCM-41, maximum decomposition temperatures on the differential TG (DTG) curves for the catalytic pyrolysis of PET, 436 ℃ over olivine, 435 ℃ over bentonite, and 434 ℃ over NZ, at 10 ℃/min, were definitely lower than non-catalytic pyrolysis. Calculated Ea values for the catalytic pyrolysis of PET over natural catalysts, 177 kJ/mol over olivine, 168 kJ/mol over bentonite, and 171 kJ/mol over NZ, were also not lower than those over synthetic zeolites, however, those were also much lower than the thermal decomposition, suggesting their feasibility as the proper and cost-effective catalysts on the pyrolysis of PET.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2008년도 추계학술대회B
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• pp.3049-3052
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• 2008

MCFC(molten carbonate fuel cell) power generation system is prime candidate for the utilization of fossil based fuels to generate ultra clean power with a high efficiency. In the MCFC power plant system, a combustor performs a role to supply high temperature mixture gases for cathode and heat for reformer by using the stack off-gas of the anode which includes a high concentration of $H_2O$ and $CO_2$. Since a combustor needs to be operated in a very lean condition and to avoid excessive local heating, catalytic combustor is usually used. The catalytic combustion is accomplished by the catalytic chemical reaction between fuel and oxidizer at catalyst surface, different from conventional combustion. In this study, a mathematical model for the prediction of internal flow and catalytic combustion characteristics in the catalytic combustor adopted in the MCFC power plant system is suggested by using the numerical methods. The numerical simulation models are then implemented into the commercial CFD code. After verifying result by comparing with the experimental data and calibrated kinetic parameters of catalytic combustion reaction, a numerical simulation is performed to investigate the variation of flow and combustion characteristics by changing such various parameters as inlet configuration and inlet temperature. The result show that the catalytic combustion can be effectively improved for most of the case by using the perforated plate and subsequent stable catalytic combustion is expected.

• 한국자기공명학회논문지
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• 제5권2호
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• pp.130-137
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• 2001

Backbone dynamics of the catalytic residues in free and steroid-bound $\Delta$$^{5}$ -3- ketosteroid isomerase from Pseudomonas testosteroni has been examined by $^{15}$ N relaxation measurements. The relaxation data were analyzed using the model-free formalism to extract the model-free parameters (S$^2$, $\tau$$_{e}$, and R$_{ex}$). Tyr-34 and Asp-99 exhibit enhanced high-frequency (pico- to nanosecond) internal motions in the free enzyme, which are restricted upon ligand binding, while Asp-38 experiences severe restriction of the internal motions in the fee enzyme, suggesting that Tyr-14 and Asp-99 are more actively involved in the ligand binding than Asp-38. The results also indicate that the H-bond network in the catalytic cavity might be slightly strengthened upon ligand binding, which may have some implications on the enzyme mechanism.he enzyme mechanism.m.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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• pp.132-132
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• 2013

Colloidal synthesis of nanoparticles with well-controlled size, shape, and composition, together with development of in situ surface science characterization tools, such as ambient pressure X-ray photoelectron spectroscopy (APXPS), has brought new opportunities to unravel the surface structure of working catalysts. Recent studies suggest that surface oxides on transition metal nanoparticles play an important role in determining the catalytic activity of CO oxidation. In this talk, I will outline the recent studies on the influence of surface oxides on Rh, Pt, Ru and Co nanoparticles on the catalytic activity of CO oxidation [1-3]. Transition metal nanoparticle model catalysts were synthesized in the presence of poly(vinyl pyrrolidone) polymer capping agent and deposited onto a flat Si support as two-dimensional arrays using the Langmuir-Blodgett deposition technique. APXPS studies exhibited the reversible formation of surface oxides during oxidizing, reducing, and CO oxidation reaction [4]. General trend is that the smaller nanoparticles exhibit the thicker surface oxides, while the bigger ones have the thin oxide layers. Combined with the nature of surface oxides, this trend leads to the different size dependences of catalytic activity. Such in situ observations of metal nanoparticles are useful in identifying the active state of the catalysts during use and, hence, may allow for rational catalyst designs for practical applications. I will also show that the surface oxide can be engineered by using the simple surface treatment such as UV-ozone techniques, which results in changing the catalytic activity [5]. The results suggest an intriguing way to tune catalytic activity via engineering of the nanoscale surface oxide.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 추계학술대회 초록집
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• pp.74.1-74.1
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• 2011

As a demand for energy, many studies are increasing about energy resource. One of these resources is coal which reserves of underground. A lot of research to use coal is going on as method of IGCC (Integrated Gasification Combined Cycle). In addition, SNG(Substitute Natural Gas) and IGFC (Integrated Gasification Fuel Cell) are also being developed for fuel & electricity. This technology which uses synthesis gas after gasification is to produce electricity from the Fuel Cell. At this point, important thing is the components of synthesis gas. The main objective is to increase the proportion of methane and hydrogen in synthesis gas. The catalytic gasification is suitable to enhance the composition of methane and hydrogen. In this study, Exxon Predevelopment catalyst gasification study was served as a good reference and then catalytic gasification simulation process is conducting using Aspen Plus in this research. For this modelling, kinetic value should be calculated from Exxon's report which is used for modeling catalytic gasification. Catalytic gasification model was performed by following above method and was analyzed by thermodynamic method through simulation results.

• 한국생물정보학회:학술대회논문집
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• 한국생물정보시스템생물학회 2005년도 BIOINFO 2005
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• pp.173-182
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• 2005

A three dimensional (3D) model for the catalytic region of Type II Pseudomonas sp. USM 4-55 PHA synthase 1 (PhaC1$_{P.sp\;USM\;4-55}$) from residue 267 to residue 484 was developed. Sequence analysis demonstrated that PhaC1$_{P.sp\;USM\;4-55}$ lacked homology with all known structural databases. PSI-BLAST and HMM Superfamily analyses demonstrated that this enzyme belongs to the ${\alpha}/{\beta}$ hydrolase fold family. Threading approach revealed that the most suitable template to use was the Human gastric lipase (1HLG). The superimposition of the predicted PhaC1$_{P.sp\;USM\;4-55}$ model with the 1HLG template structure covering 86.2% of the backbone atoms showed an RMSD of 1.15 ${\AA}$ The catalytic residues comprising of Cys296, Asp451, His452 and His479 were found to be conserved and were located adjacent to each other. We proposed that the catalytic mechanism involved the formation of two tetrahedral intermediates.

• 대한기계학회논문집B
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• 제33권3호
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• pp.149-155
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• 2009

In this work a numerical study to find the characteristics of the internal flow and mixing process has been conducted in a static mixer used in the system of catalytic combustor of the fuel cell power plant. After introducing the model description and final governing equations the present numerical approach is applied to the analysis of static mixer, which may have one or more helical elements inside the circular tube by changing such various parameters as incoming mass flow rates and the number of helical elements. The results show that although the static mixer is efficient in mixing fuel and air, more optimization processes are required to achieve the appropriate mixing characteristics in front of the honeycomb type catalytic combustor used in the MCFC power plant