• Korean Chemical Engineering Research
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• v.51 no.1
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• pp.10-24
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• 2013

The state-of-arts of multiscale simulation (MSS) in science and engineering is briefly presented and MSS for process development (PD-MSS) is proposed to effectively apply the MSS to the process development. The four-level PD-MSS is composed of PLS (process-level simulation), FLS (fluid-level simulation), mFLS (microfluid-level simulation) and MLS (molecular-level simulation). Characteristics and methods of each level, as well as connectivity between the four levels are described. For example in PD-MSS, absorption column, fluidized-bed reactor, and adsorption process are introduced. For successful MSS, it is necessary to understand the multiscale nature in chemical engineering problems, to develop models representing physical phenomena at each scale and between scales, to develop softwares implementing mathematical models on computer, and to have strong computing facilities. MSS should be performed within acceptable accuracy of simulation results, available computation capacity, and reasonable efficiency of calculation. Macroscopic and microscopic scale simulations have been developed relatively well but mesoscale simulation shows a bottleneck in MSS. Therefore, advances on mesoscale models and simulation tools are required to accurately and reliably predict physical phenomena. PD-MSS will find its way into a sustainable technology being able to shorten the duration and to reduce the cost for process development.

• Journal of the Korean Institute of Gas
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• v.10 no.2 s.31
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• pp.1-6
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• 2006

In this study we proposed on effect of the photodecomcomposition of coated nanofiber by $Pd/TiO_2$ for the removal of formaldehyde gas as indoor air pollutant. The photocatalytic reactor was setup in the inside of rectangular box (volume 2 l), UV lamp and the coating nanofiber with $Pd/TiO_2$. This study investigated the reaction rate and the adsorption constant of Langmuir-Heinshelwood, conversion of formaldehyde gas on temperature ($40^{\circ}C{\sim}80^{\circ}C$), effect of conversion (%) under different concentration, and effect of conversion (%) with humidity level on added $SO_2$ gas. As results, the rate constant (k) and adsorption constant (ft) were 114.94ppmv/min, $0.0036ppmv^{-1}$, respectively. and the conversion (%) of formaldehyde gas on temperature ($40^{\circ}C{\sim}80^{\circ}C$) was decreased to about 24%, compare with the first conversion (%). In conversion effect of increasing humidity levels, the presence of sulfur dioxide further decreased than without sulfur dioxide. the decreasing reason of conversion with presence sulfur dioxide judged as a cause of interference factor on the decrease of contact chance with photocatalysts.

• Journal of Advanced Marine Engineering and Technology
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• v.39 no.5
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• pp.563-569
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• 2015

A chemical reaction occurring in CSTR (Continuous Stirred Tank Reactor) is significantly affected by the concentration, temperature, pressure, and reacting time of materials, and thus it has strong nonlinear and time-varying characteristics. Also, when an existing linear PID controller with fixed gain is used, the performance could deteriorate or could be unstable if the system parameters change due to the change in the operating point of CSTR. In this study, a technique for the design of a fuzzy PD plus I controller was proposed for the temperature control of a CSTR process. In the fuzzy PD plus I controller, a linear integral controller was added to a fuzzy PD controller in parallel, and the steady-state performance could be improved based on this. For the fuzzy membership function, a Gaussian type was used; for the fuzzy inference, the Max-Min method of Mamdani was used; and for the defuzzification, the center of gravity method was used. In addition, the saturation state of the actuator was also considered during controller design. The validity of the proposed method was examined by comparing the set-point tracking performance and the robustness to the parameter change with those of an adaptive controller and a nonlinear proportional-integral-differential controller.

• Transactions of the Korean hydrogen and new energy society
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• v.31 no.2
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• pp.177-183
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• 2020

To utilize hydrogen energy, high-yield, high-purity hydrogen needs to be produced; therefore, hydrogen separation membrane studies are being conducted. The membrane reactor that fabricates hydrogen needs to have high hydrogen permeability, selective permeability, heatresistant and a stable mechanical membrane. Dense membranes of Pd and Pd alloys are usually used, but these have drawbacks associated with high cost and durability. Therefore, many researchers have studied replacing Pd and Pd alloys. Dense TiN membrane is highly selective and can separate high-purity hydrogen. The porous alumina has a high permeation rate but low selectivity; therefore, separating high-purity hydrogen is difficult. To overcome this drawback, the two materials are combined as composite reclamations to produce a separation membrane with a high penetration rate and high selectivity. Accordingly, TiN-alumina was manufactured using a high-energy ball mill. The TiN-alumina membrane was characterized by X-ray diffraction analysis, scanning electron microscopy, and energy dispersive spectroscopy. The hydrogen permeability of the TiN-alumina membrane was estimated by a Sievert-type hydrogen permeation membrane apparatus. Due to the change in the diffusion mechanism, the transmittance value was lower than that of the general TiN ceramic separator.

• Analytical Science and Technology
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• v.16 no.6
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• pp.431-437
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• 2003

Metalization yield of uranium oxide to uranium metal from lithium reduction process of spent pressurized water reactor (PWR) fuels was measured using thermogravimetric analyzer. A reduced metal produced in the process was divided into a solid and a powder part, and each metalization yield was measured. Metalization yield of the solid part was 90.7~95.9 wt%, and the powder being 77.8~71.5 wt% individually. Oxidation behaviour of the quartemary alloy was investigated to take data on the thermal oxidation stability necessary for the study on dry storage of the reduced metal. At $600{\sim}700^{\circ}C$, weight increments of alloy of Mo, Ru, Rh and Pd was 0.40~0.55 wt%. Phase change on the surface of the alloy was started at $750^{\circ}C$. In particular, Mo was rapidly oxidized and then the alloy lost 0.76~25.22 wt% in weight.

• Journal of the Korea Institute of Military Science and Technology
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• v.20 no.4
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• pp.528-535
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• 2017

Fuel cells have been spotlighted in the world for being highly efficient and environmentally friendly. A hydrogen which is the fuel of fuel cell can be obtained from a number of sources. Hydrogen source for operating the polymer electrolyte membrane fuel cell(PEMFC) in the current underwater environment, such as a submarine and unmanned underwater vehicles are currently from the metal hydride cylinder. However, metal hydride has many limitations for using hydrogen carrier, such as large volume, long charging time, limited storage capacity. To solve these problems, we suggest diesel reformer for hydrogen supply source. Diesel fuel has many advantages, such as high hydrogen storage density, easy to transport and also well-infra structure. However, conventional diesel reforming system for PEMFC requires a large volume and complex CO removal system for lowering the CO level to less than 10 ppm. In addition, because the preferential oxidation(PROX) reaction is the strong exothermic reaction, cooling load is required. By changing this PROX reactor to hydrogen separation membrane, the problem from PROX reactor can be solved. This is because hydrogen separation membranes are small and permeable to pure hydrogen. In this study, we conducted the pressurized diesel reforming and water-gas shift reaction experiment for the hydrogen separation membrane application. Then, the hydrogen permeation experiments were performed using a Pd alloy membrane for the reformate gas.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.16 no.2
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• pp.1579-1584
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• 2015

In photocatalytic reaction, the doping of metal matter can alter the titania surface properties. As such the metal matter can increase the rate of the reaction. The influence of metal doping and calcination condition of $TiO_2$ photocatalyst was investigated at the batch-type photoreactor. Several metal matters were doped to the $TiO_2$ catalyst to improve photodegradation efficiency. During the experiments, water content was 3wt%, and reactor temperature was $40^{\circ}C$. Palladium-doped $TiO_2$ was found to be the best, where as platinum or tungsten-added also showed good results. Additional doping of platinum or tungsten on Pd/$TiO_2$ had no increase on the removal efficiency. To obtain proper calcination condition, various experiments about calcination temperature and time were carried out. As a result, the optimum calcination condition was temperature of $400^{\circ}C$, time of 1 hour.

• Journal of the Korean Institute of Gas
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• v.20 no.2
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• pp.1-9
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• 2016

Combined removal of n-heptane and carbon monoxide (CO) using a plasma-catalytic process was investigated. The performance of the plasma-catalytic process was compared with that of the catalyst-alone process to characterize the decomposition of n-heptane and CO with the operation parameters such as the type of catalyst, reaction temperature, and discharge power. From several sets of experiments, it was found that the decomposition efficiency of n-heptane mainly depended on the specific input energy rather than the reactor temperature, whereas the oxidation of CO on both the energy density and the reaction temperature. The results conducted over several metal oxide catalysts exhibited that the decomposition efficiency of n-heptane was in the order: $Pd/{\gamma}-Al_2O_3$ > $Ru/{\gamma}-Al_2O_3{\approx}Ag/{\gamma}-Al_2O_3$. Especially, $Pd/{\gamma}-Al_2O_3$ catalyst did hardly generate CO as a byproduct during the decomposition of n-heptane under an appropriate condition, revealing $CO_2$ selectivity of nearly 100%. The CO oxidation efficiency was largely affected by the type of catalyst ($Pd/{\gamma}-Al_2O_3$ > $Ru/{\gamma}-Al_2O_3$ > $Ag/{\gamma}-Al_2O_3$). At temperatures below $180^{\circ}C$, the plasma-catalytic process was more effective in the oxidation of CO, while above $180^{\circ}C$, the catalytic process resulted in slightly higher CO oxidation efficiency.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2002.09a
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• pp.187-190
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• 2002

Reductive dechlorination of endosulfans was studied with zero valent metals (ZVMs) and bimetals in aqueous batch reactors. The effect of surfactants was evaluated. Endosulfan was successfully dechlorinated with zero valent iron. However, a bimetal, palladium coated iron (Pd/Fe) showed a highly enhanced reactivity for both endosulfan I and II indicating palladium act as a dechlorination catalyst on the iron. The effect of surfactants on degradation with ZVM has been very controvertible. Variable concentration of a nonionic surfactant, Triton X-100 and an anionic surfactant, SDS were added into the reactor with ZVM. The reaction rates of endosulfan were increased with both surfactants. In the case of Triton X-100, the reaction rate was increased with the increasing surfactant concentration up to 400 mg/L. Addition of small amount of surfactant under the CMC, the reaction rate was increased. However, the enhancing effect was diminished when a higher concentration of surfactant (1,000 mg/L) was used. Current study implicate that the surfactant adsorbed on the metal surface might increase the surface concentration of endosulfan resulting in the increased reaction rate. However, partitioning of endosulfan into the micelle formed at the high concentration of surfactant diminish the enhancing effect by reducing the contact chance between target compound and the metal surface.

• Journal of Korean Society of Water and Wastewater
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• v.27 no.1
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• pp.49-58
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• 2013

A selected halogenated organic contaminant, monochlorophenol was successfully degraded by photocatalytic reaction in a circulating batch system. The photocatalytic degradation in most cases follows first-order kinetics. The photocatalytic reaction rate increased in the $TiO_2$ dosage range of 0.1 g/L to 0.4 g/L, then decreased with further increase of the dosage. Also the degradation rate increased over the range of the retention time from 0.49 min. to 0.94 min., then decreased with further increase of the retention time in the circulating batch reactor. The photocatalytic activity was enhanced by addition of metal impurities, platinum(Pt) and palladium(Pd) onto the photocatalysts. The photocatalytic degradation rate increased with the increase of Pt and Pd in the content range of 0 to 2wt %, then decreased with further increase of the metal contents. Therefore the metal loading to $TiO_2$ influence the degradation rate of a halogenated organic compound by acting as electron traps, consequently reducing the electron/positive hole pair recombination rate.