• 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.

• Journal of the Korean Applied Science and Technology
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• v.23 no.4
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• pp.319-327
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• 2006

In order to prepare high-solid coatings, first acrylic resins (HSAs) which contain 80% solid were synthesized, and then the prepared resins were cured with isocyanate at room temperature. In the synthesis of HSAs, viscosity, number average molecular weight $(M_n)$ and conversion were $1372{\sim}2700$ cps, $1520{\sim}1650$ and $83{\sim}87%$, respectively. Among the four kinds of initiators used, tert-amylperoxy-2-ethyl hexanoate was the most proper one in the synthesis of HSAs. With increasing $T_g$ values, viscosity increased rapidly and molecular weight increased slowly. As a result of the examination of coated films, it was found that $60^{\circ}$ specular gloss, impact resistance, heat resistance and cross-hatch adhesion were good, and pencil hardness, drying time and pot life were poor.

• 한국태양에너지학회:학술대회논문집
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• 2012.03a
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• pp.260-266
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• 2012

Syngas and hydrogen from the $CeO_2/ZrO_2$ coated foam devices were investigated under simulated solar radiation. The $CeO_2/ZrO_2$ coated SiC, Ni and Cu foam device were prepared using drop-coating method. Syngas production step was performed at $900^{\circ}C$, and hydrogen production process was performed for ten repeated cycles to compare the CeO2 conversion in syngas production step, $H_2$ yield in hydrogen production step and cycle reproducibility. The produced syngas had the $H_2$/CO ratio of 2, which was suitable for methanol synthesis or Fischer-Tropsch synthesis process. In addition, syngas and hydrogen production process is one of the promising chemical pathway for storage and transportation of solar heat by converting solar energy to chemical energy. After ten cycles of redox reaction, the $CeO_2/ZrO_2$ was analyzed using XRD pattern and SEM image in order to characterize the physical and chemical change of metal oxide at the high temperature.

• Journal of computational fluids engineering
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• v.21 no.1
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• pp.43-49
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• 2016

Thermal cracking is commonly modeled as plug flow reaction, neglecting the lateral gradients present. In this paper, 2-dimensional computational fluid dynamics including turbulence model and molecular reaction scheme are carried out. This simulation is solved by means of coupled implicit scheme for stable convergence of solution. The reactor is modeled as an isothermal tube, whose length is 1.2 m and radius is 0.01 m, respectively. At first, The radial profile of velocity and temperature at each point are predicted in its condition. Then the bulk temperature and conversion curve along the axial direction are compared with other published data to identify the reason why discussed variations of properties are important to product yield. Finally, defining a new non-dimensional number, Effect of interaction with turbulence, heat transfer and chemical reaction are discussed for design of thermal cracking furnace.

• Journal of the Korean Institute of Gas
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• v.20 no.5
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• pp.27-33
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• 2016

The aim of numerical study is the investigation of the solid and fluid temperatures in a reformer tube and chemical reaction characteristics of different steam-carbon ratio. We considered conjugate heat transfer contain radiation, convection and conductive heat transfers. This is because steam reforming reaction of hydrocarbon occurred high temperature conditions up to 800 K- 1000 K by using commercial computational fluid dynamics (CFD) code (Fluent ver. 13.0). For numerical simulation, the Reynolds-Averaged Navier-Stokes, momentum and energy equation were employed. In addition, inside of reformer tube is assumed as the porous medium to consider the Nichrome-based catalyst. To analysis characteristics of tube temperature in chemical reaction, we changed steam-methane ratio(SCR) from 1 to 6. As increased SCR, the higher tube temperature and methane conversion were observed. It was obtained that the highest hydrogen production held in SCR of 5.

• Electrical & Electronic Materials
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• v.8 no.5
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• pp.619-625
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• 1995

Polycrystalline CdTe thin film has been studied for photovoltaic application due to the 1.45 eV band gap energy ideal for solar energy conversion and high absorption coefficient. The formation of low resistance contact to p-CdTe is difficult because of large work function(>5.5eV). Common methods for ohmic contact to p-CdTe are to form a p+ region under the contact by in-diffusion of contact material to reduce the barrier height and modify a p-CdTe surface layer using chemical treatment. In this study, the surface chemical treatment of p CdTe was carried out by H$\_$3/PO$\_$4/+HNO$\_$3/ or K$\_$2/Cr$\_$2/O$\_$7/+H$\_$2/SO$\_$4/ solution to provide a Te-rich surface. And various thin film contact materials such as Cu, Au, and Cu/Au were deposited by E-beam evaporation to form ohmic contact to p-CdTe. After the metallization, post annealing was performed by oven heat treatment at 150.deg. C or by RTA(Rapid Thermal Annealing) at 250-350.deg. C. Surface chemical treatments of p-CdTe thin film improved metal/p-CdTe interface properties and post heat treatment resulted in low contact resistivity to p-CdTe.Of the various contact metal, Cu/Au and Cu show low contact resistance after oven and RTA post-heat treatments, respectively.

• International Journal of Fluid Machinery and Systems
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• v.5 no.3
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• pp.134-142
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• 2012

The competition to deliver ultra-low emitting vehicles at a reasonable cost is driving the automotive industry to invest significant manpower and test laboratory resources in the design optimization of increasingly complex exhaust after-treatment systems. Optimization can no longer be based on traditional approaches, which are intensive in hardware use and laboratory testing. The CFD is in high demand for the analysis and design in order to reduce developing cost and time consuming in experiments. This paper describes the development of a comprehensive practical model based on experiments for simulating the performance of automotive three-way catalytic converters, which are employed to reduce engine exhaust emissions. An experiment is conducted to measure species concentrations before and after catalytic converter for different loads on engine. The model simulates the emission system behavior by using an exhaust system heat conservation and catalyst chemical kinetic sub-model. CFD simulation is used to study the performance of automotive catalytic converter. The substrate is modeled as a porous media in FLUENT and the standard k-e model is used for turbulence. The flow pattern is changed from axial to radial by changing the substrate model inside the catalytic converter and the flow distribution and the conversion efficiency of CO, HC and NOx are achieved first, and the predictions are in good agreement with the experimental measurements. It is found that the conversion from axial to radial flow makes the catalytic converter more efficient. These studies help to understand better the performance of the catalytic converter in order to optimize the converter design.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.213-213
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• 2012

It has been known that quantum confinement effect of CdSe nanocrystal was observed by increasing the number of deposition cycle using successive ionic layer adsorption and reaction (SILAR) method. Here, we report on thermally-induced quantum confinement effect of CdSe at the given cycle number using spin-coating technology. A cation precursor solution containing $0.3\;M\;Cd(NO_3)_2{\cdot}4H_2O$ is spun onto a $TiO_2$ nanoparticulate film, which is followed by spinning an anion precursor solution containing $0.3\;M\;Na_2\;SeSO_3$ to complete one cycle. The cycle is repeated up to 10 cycles, where the spin-coated $TiO_2$ film at each cycle is heated at temperature ranging from $100^{\circ}C$ to $250^{\circ}C$. The CdSe-sensitized $TiO_2$ nanostructured film is contacted with polysulfide redox electrolyte to construct photoelectrochemical solar cell. Photovoltaic performance is significantly dependent on the heat-treatment temperature. Incident photon-to-current conversion efficiency (IPCE) increases with increasing temperature, where the onset of the absorption increases from 600 nm for the $100^{\circ}C$- to 700 nm for the $150^{\circ}C$- and to 800 nm for the $200^{\circ}C$- and the $250^{\circ}C$-heat treatment. This is an indicative of quantum size effect. According to Tauc plot, the band gap energy decreases from 2.09 eV to 1.93 eV and to 1.76 eV as the temperature increases from $100^{\circ}C$ to $150^{\circ}C$ and to $200^{\circ}C$ (also $250^{\circ}C$), respectively. In addition, the size of CdSe increases gradually from 4.4 nm to 12.8 nm as the temperature increases from $100^{\circ}C$ to $250^{\circ}C$. From the differential thermogravimetric analysis, the increased size in CdSe by increasing the temperature at the same deposition condition is found to be attributed to the increase in energy for crystallization with $dH=240cal/^{\circ}C$. Due to the thermally induced quantum confinement effect, the conversion efficiency is substantially improved from 0.48% to 1.8% with increasing the heat-treatment temperature from $100^{\circ}C$ to $200^{\circ}C$.

• Journal of Ocean Engineering and Technology
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• v.27 no.2
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• pp.33-38
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• 2013

In the past, a very popular method for reducing the corrosion on zinc involved the use of chemical conversion layer coatings based on $Cr^{+6}$. However, there is an important problem with using chromium salts as a result of restrictive environmental protection legislation. This study investigated the optimum condition for galvanized steel using an organic/inorganic solution with a Ti composition. In the case of a fixed heat treatment time, the corrosion resistance values of LR-0727(1) and LR-0727(2) were improved as the heat treatment temperature increased, and the optimum minimum temperature decreased with the heat treatment time. At the optimum heat treatment condition of two coating solutions, the heat treatment time of the LR-0727(1) solution was shorter than LR-0727(2) for the same heat treatment temperature. LR-0727(1) coated specimens did not show desquamation, and all of the specimens showed a good adhesive property. In contrast, in the case of the LR-0727(2) coated specimens, desquamation arose. Therefore, the adhesive property of LR-0727(1) was superior to that of LR-0727(2). The pencil hardness had a 3H average for all of the coating solutions and heat treatment conditions. In the case of a corrosion resistance test with boiling water, the coated specimens of LR-0727(1) were discolored, but LR-0727(2) was not. Finally, LR-0727(1) was more moisture proof than LR-0727(2).

• Korean Chemical Engineering Research
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• v.52 no.1
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• pp.133-140
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• 2014

The experiment was designed to compare the char combustion kinetics of pulverized Indonesia coals commonly utilized in Korea power plants. The reaction rate of coal char has been formulated using the external and internal effectiveness factors to describe the diffusion effect quantitatively. The Random Pore Model (RPM) was used for applying internal specific surface area as a function of carbon conversion ratio. Reaction rate was obtained from reaction time using the Wire Heating Reactor (WHR) which can heat and measure the char particle temperature at the same time. BET and TGA were used to obtain physical properties such as internal specific surface area and structural parameter. Three kinds of Indonesia Sub-bituminous coals "BARAMULTI, ENERGYMAN, AGM" were used in order to derive the activation energy and pre-exponential factor. The results of this study showed that the effect of internal diffusion than that of external diffusion is the dominant as comparison of kinetics was reflected in external and internal effectiveness factors. For three kinds of coal char, finally, activation energy of intrinsic kinetics indicates 110~118 kJ/mol.