• Bulletin of the Korean Chemical Society
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• v.34 no.1
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• pp.225-230
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• 2013

A new heteropolyanion-based ionic ($[Hmim]_5PMo_{10}V_2O_{40}$) was synthesized by the reaction of molybdovanadophosphoric acid ($H_5PMo_{10}O_{40}$) with N-methylimidazole. [$[Hmim]_5PMo_{10}V_2O_{40}$ showed a high catalytic activity in the oxidative desulfurization of sulfur-containing compounds in 1-methylimidazolium tetrafluoroborate ($[Hmim]BF_4$) ionic liquid using 30% aqueous $H_2O_2$ as the oxidant. The catalytic system was of high activity, simplified workup and flexible recyclability. The catalytic oxidation reactivity of sulfur-containing compounds decreased in the order dibenzothiophene (DBT) > 4,6-dimethyldibenzothiophene (4,6-DMDBT) > benzothiophene (BT). The influences of various parameters including reaction time (t) and temperature (T), catalyst dosage, and oxidant to sulfur molar ratio n(O)/n(S) on the desulfurization of model oil were investigated in details. 99.1% of DBT conversion in the model oil was achieved at atmospheric pressure under the optimal conditions: n(O)/n(S) = 4:1, $60^{\circ}C$, 100 min and molar ratio of catalyst to sulfur of 0.062. The ionic liquid can be recycled six times without significant decrease in activity.

• International Journal of Naval Architecture and Ocean Engineering
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• v.13 no.1
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• pp.659-673
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• 2021

This study aims to investigate the impact of the High Pressure Selective Catalytic Reduction system (SCR-HP) on a large marine two-stroke engine performance parameters by employing thermodynamic modelling. A coupled model of the zero-dimensional type is extended to incorporate the modelling of the SCR-HP components and the Control Bypass Valve (CBV) block. This model is employed to simulate several scenarios representing the engine operation at both healthy and degraded conditions considering the compressor fouling and the SCR reactor clogging. The derived results are analysed to quantify the impact of the SCR-HP on the investigated engine performance. The SCR system pressure drop and the cylinder bypass valve flow cause an increase of the engine Specific Fuel Oil Consumption (SFOC) in the range 0.3-2.77 g/kWh. The thermal inertia of the SCR-HP is mainly attributed to the SCR reactor, which causes a delayed turbocharger response. These effects are more pronounced at low engine loads. This study supports the better understanding of the operating characteristics of marine two-stroke diesel engines equipped with the SCR-HP and quantification of the impact of the components degradation on the engine performance.

• Journal of Hydrogen and New Energy
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• v.32 no.3
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• pp.180-188
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• 2021

This paper conducted a study on the ortho-para hydrogen conversion in the cryogenic heat exchanger filled with catalysts for hydrogen liquefaction by utilizing the numerical model of plate-fin heat exchanger considering catalytic reaction of ortho-para hydrogen conversion, heat and mass transfer phenomena and fluid dynamics in a porous medium. Various numerical analyzes were performed to investigate the characteristics of ortho-para hydrogen conversion, the effects of space velocity and activated catalyst performance.

• Journal of Microbiology and Biotechnology
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• v.23 no.2
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• pp.195-204
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• 2013

While structured packing modules are known to be efficient for surface wetting and gas-liquid exchange in abiotic surface catalysis, this model study explores structured packing as a growth surface for catalytic biofilms. Microbial biofilms have been proposed as selfimmobilized and self-regenerating catalysts for the production of chemicals. A concern is that the complex and dynamic nature of biofilms may cause fluctuations in their catalytic performance over time or may affect process reproducibility. An aerated continuous trickle-bed biofilm reactor system was designed with a 3 L structured packing, liquid recycling and pH control. Pseudomonas diminuta established a biofilm on the stainless steel structured packing with a specific surface area of 500 $m^2m^{-3}$ and catalyzed the oxidation of ethylene glycol to glycolic acid for over two months of continuous operation. A steady-state productivity of up to 1.6 $gl^{-1}h^{-1}$ was achieved at a dilution rate of 0.33 $h^{-1}$. Process reproducibility between three independent runs was excellent, despite process interruptions and activity variations in cultures grown from biofilm effluent cells. The results demonstrate the robustness of a catalytic biofilm on structured packing, despite its dynamic nature. Implementation is recommended for whole-cell processes that require efficient gas-liquid exchange, catalyst retention for continuous operation, or improved catalyst stability.

• Korean Journal of Chemical Engineering
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• v.35 no.12
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• pp.2327-2335
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• 2018

Fluid catalytic cracking (FCC) is an important chemical process that is widely used to produce valuable petrochemical products by cracking heavier components. However, many difficulties exist in modeling the FCC process due to its complexity. In this study, a dynamic process model of a FCC process is suggested and its structural observability is analyzed. In the process modeling, yield function for the kinetic model of the riser reactor was applied to explain the product distribution. Hydrodynamics, mass balance and energy balance equations of the riser reactor and the regenerator were used to complete the modeling. The process model was tested in steady-state simulation and dynamic simulation, which gives dynamic responses to the change of process variables. The result was compared with the measured data from operating plaint. In the structural analysis, the system was analyzed using the process model and the process design to identify the structural observability of the system. The reactor and regenerator unit in the system were divided into six nodes based on their functions and modeling relationship equations were built based on nodes and edges of the directed graph of the system. Output-set assignment algorithm was demonstrated on the occurrence matrix to find observable nodes and variables. Optimal locations for minimal addition of measurements could be found by completing the whole output-set assignment algorithm of the system. The result of this study can help predict the state more accurately and improve observability of a complex chemical process with minimal cost.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.403.2-403.2
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• 2016

Porous materials play a significant role in energy storage and conversion applications such as catalyst support for polymer electrolyte membrane fuel cell. In particular, hierarchical porous materials with both micropores (poresize, ${\delta}$ < 2 nm) and regularly arranged mesopores (2 nm < ${\delta}$ < 50 nm) are known to greatly enhance the efficiency of catalytic reactions by providing enormous surface area as well as fast mass transport channels for both reactants and products from/to active sites. Although it is generally agreed that the microscopic structure of the porous materials directly affects the performance of these catalytic reactions, neither detailed mechanisms nor fundamental understanding are available at hand. In this study, we propose an atomistic model of hierarchical nanostructured porous carbons (HNPCs) in molecular dynamics simulations. By performing a systematic study, we found that structural features of the HNPC can be independently altered by tuning specific synthesis parameters, while remaining other structures unchanged. In addition, we show some structure-property relations including mechanical and gas transport properties.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 1997.04a
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• pp.30-34
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• 1997

This paper Describe a modelling method for SCR(selective Catalytic reduction) system in refuse incineration plant. We consider the SCR system as a single input single output system. For modelling the SCR system, an auto regressive exogeneous(ARX) modelling method is used. In this case, we should design the white noise input for modelling and put it on the system as an input (.NH/sap2/.), and taken an outlet NOx as an output. From these two relations, we design the ARX model with 45 second delay time and transform to discrete system with 0.5 sampling time. Using the obtained SCR model, we simulate the SCR system to reduce the outlet NOx content by a conventional PID control method.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.32 no.11
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• pp.870-877
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• 2008

Numerical analysis is applied to model Pt-catalyzed reaction in a micro-scale combustor fueled by butane. The reaction constants of catalytic oxidation are determined from plug flow model with the experimental data. Orders of magnitude between the chemical reaction rate and the mass transfer rate are carefully compared to reveal which mechanism plays a dominant role in the total fuel conversion rate. For various conditions of fuel flow rate and surface temperature, the profiles of Sherwood number are investigated to study the characteristics of the mass transport phenomena in the micro-tube combustor.

• Journal of environmental and Sanitary engineering
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• v.15 no.4
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• pp.44-51
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• 2000

The reactivity of a range of volatile organic compounds with differing functional groups observed over 0.5% $Pt/{\gamma}-Al_2O_3$ catalyst. In general, the reactivity pattern observed was alcohols > aromatics > ketones > cycloalkane > alkanes. The deep conversion was increased as reaction temperature was increased. A correlation was found between the reactivity of the individual and the strength of the weakest C-Hbond in structure. The conversion of volatile organic compounds increases in order methanol > benzene > cyclohexane > MEK > n-hexane. That is the effect of differences in total dissociation energy. An apparent zeroth-order kinetics with respect to inlet concentration have been observed. A simple multicomponent model based on two-stage redox model made reasonably good predictions of conversion over the range of parameters studied. thus, the catalytic process was suggested as the new VOCs control technology.

• Journal of Industrial and Engineering Chemistry
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• v.67
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• pp.448-460
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• 2018

Copper nanoparticle-doped and graphitic carbon nanofibers-covered porous carbon beads were used as an efficient catalyst for treating synthetic phenolic water by catalytic wet air oxidation (CWAO) in a packed bed reactor over 10-30 bar and $180-230^{\circ}C$, with air and water flowing co-currently. A mathematical model based on reaction kinetics assuming degradation in both heterogeneous and homogeneous phases was developed to predict reduction in chemical oxygen demand (COD) under a continuous operation with recycle. The catalyst and process also showed complete COD reduction (>99%) without leaching of Cu against a high COD (~120,000 mg/L) containing industrial wastewater.