• 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 Science International
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• v.20 no.1
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• pp.119-126
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• 2011

In this study, reaction model and reactions rate accelerated by o-iodosobenzoate ion(IB$^{\ominus}$) on hydrolysis reaction of p-nitrophenyl valate(NPV) using ethyl tri-octyl ammonium mesylate(ETAMs) for quaternary ammonium salts, the phase transfer catalysis(PTC) reagent, were investigated. The effect of IB$^{\ominus}$ on hydrolysis reaction rate constant of NPV was weak without ETAMs solutions. Otherwise, in ETAMs solutions, the hydrolysis reactions exhibit higher first order kinetics with respect to the nucleophile, IB$^{\ominus}$, and ETAMs, suggesting that reactions are occurring in small aggregates of the three species including the substrate(NPV), whereas the reaction of NPV with OH$^{\ominus}$ is not catalyzed by ETAMs. Different concentrations of NPV were tested to measure the change of rate constants to investigate the effect of NPV as substrate and the results showed that the effect was weak. This means the reaction would be the first order kinetics with respect to the nucleophile. This behavior for the drastic rate-enhancement of the hydrolysis is referred as 'Aggregation complex model' for reaction of hydrophobic organic ester with o-iodosobenzoate ion(IB$^{\ominus}$) in hydrophobic quarternary ammonium salt(ETAMs) solutions.

• Bulletin of the Korean Chemical Society
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• v.26 no.1
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• pp.139-145
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• 2005

Artificial neural networks (ANNs), for a first time, were successfully developed for the modeling and prediction of solvent effects on rate constant of [2+2] cycloaddition reaction of diethyl azodicarboxylate with ethyl vinyl ether in various solvents with diverse chemical structures using quantitative structure-activity relationship. The most positive charge of hydrogen atom (q$^+$), dipole moment ($\mu$), the Hildebrand solubility parameter (${\delta}_H^2$) and total charges in molecule (q$_t$) are inputs and output of ANN is log k$_2$ . For evaluation of the predictive power of the generated ANN, the optimized network with 68 various solvents as training set was used to predict log k$_2$ of the reaction in 16 solvents in the prediction set. The results obtained using ANN was compared with the experimental values as well as with those obtained using multi-parameter linear regression (MLR) model and showed superiority of the ANN model over the regression model. Mean square error (MSE) of 0.0806 for the prediction set by MLR model should be compared with the value of 0.0275 for ANN model. These improvements are due to the fact that the reaction rate constant shows non-linear correlations with the descriptors.

• Nuclear Engineering and Technology
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• v.29 no.2
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• pp.99-109
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• 1997

A dynamic model for hydrogen generation by Fuel-Coolant Interactions(FCI) is developed with separate models for each FCI stage, coarse mixing and stratification. The model includes the physical concept of FCI, semi-empirical heat and mass transfer correlation and the concentration diffusion equation with the general non-zero boundary condition. The calculated amount of hydrogen, which is mainly generated in stratification, is compared with the FITS experiments. The model developed in this study shows a good agreement within a range of 10 % fuel oxidation rate and predicts the controlled mechanism of the chemical reaction very well. And this model predicts more accurately than the previous works. It is shown from the sensitivity study that the higher initial temperature of fuel particle is, the larger the reaction rate is. Up to 2700 K of temperature of the particle, the reaction rate increases rapid, which can lead to metal ignition.

• Applied Chemistry for Engineering
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• v.27 no.1
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• pp.56-61
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• 2016

In this study, the effect of natural minerals on the reaction kinetics for lignite-$CO_2$ gasification was investigated. After physical mixing of lignite from Meng Tai area with 5 wt% of each natural mineral catalysts among Dolomite, Silica sand, Olivine and Kaolin, $CO_2$ gasification was performed using TGA at each 800, $850^{\circ}C$ and $900^{\circ}C$. The experimental data was analyzed with volumetric reaction model (VRM), shrinking core model (SCM) and modified volumetric reaction model (MVRM). MVRM was the most suitable among three models. As increasing the reaction temperature, the reaction rate constant became higher. With natural mineral catalysts, the reaction rate constant was higher and activation energy was lower than that of without catalysts. The lowest activation energy, 114.90 kJ/mol was obtained with silica sand. The highest reaction rate constant at $850^{\circ}C$ and $900^{\circ}C$ and lower reaction rate constant at $800^{\circ}C$ were obtained with Kaolin. Conclusively, the better catalytic performance could be observed with Kaolin than that of using other catalysts when the reaction temperature increased.

• Applied Chemistry for Engineering
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• v.23 no.2
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• pp.204-209
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• 2012

In this study, kinetics data was obtained for steam reforming reaction of ethane over the commercial ruthenium catalyst. The variables of ethane steam reforming were the reaction temperature, partial pressure of ethane, and steam/ethane mole ratio. Parameters for the power rate law kinetic model and the Langmuir-Hinshelwood model were obtained from the kinetic data. Also, sizing of steam reforming reactor was performed by using PRO/II simulator. The reactor size calculated by the power rate law kinetic model was bigger than that of using the Langmuir-Hinshelwood model for the same conversion of ethane. Reactor size calculated by the Langmuir-Hinshelwood model seems to be more suitable for the reactor design because the Langmuir-Hinshelwood model was more consistent with the experimental results.

• Korean Journal of Metals and Materials
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• v.47 no.2
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• pp.107-113
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• 2009

Molten iron with 2 mass % carbon content was decarbonized at 1823 K~1923 K by bubbling $Ar+O_2$ gas through a submerged nozzle. The reaction rate was significantly influenced by the oxygen partial pressure and the gas flow rate. Little evolution of CO gas was observed in the initial 5 seconds of the oxidation; however, this was followed by a period of high evolution rate of CO gas. The partial pressure of CO gas decreased with further progress of the decarbonization. The overall reaction is decomposed to two elementary reactions: the decarbonization and the dissolution rate of oxygen. The assumptions were made that these reactions are at equilibrium and that the reaction rates are controlled by mass transfer rates within and around the gas bubble. The time variations of carbon and oxygen contents in the melt and the CO partial pressure in the off-gas under various bubbling conditions were well explained by the mathematical model. Based on the present model, it was explained that the decarbonization rate of molten iron was controlled by gas-phase mass transfer at the first stage of reaction, but the rate controlling step was transferred to liquid-phase mass transfer from one third of reaction time.

• Journal of the Korean Society of Combustion
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• v.20 no.3
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• pp.35-42
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• 2015

Investigating coal combustion in a large-scale boiler using computational fluid dynamics (CFD) requires a combination of flow and reaction models. These models include a number of rate constants which are often difficult to determine or validate for particular coals or furnaces. Nonetheless, CFD plays an important role in developing new combustion technologies and improving the operation. In this study, the model selection and rate constants for coal devolatilization, char conversion, and turbulent reaction were evaluated for a commercial wall-firing boiler. The influence of devolatilization and char reaction models was found not significant on the overall temperature distribution and heat transfer rate. However, the difference in the flame shapes near the burners were noticeable. Compared to the coal conversion models, the rate constant used for the eddy dissipation rate of gaseous reactions had a larger influence on the temperature and heat transfer rate. Based on the operation data, a value for the rate constant was recommended.

• International Commerce and Information Review
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• v.10 no.1
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• pp.329-347
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• 2008

The purpose of this study is to examine the causal relationship between the exchange rate and economic growth, and to induce policy implications. In order to test whether time series data is stationary and the model is fitness or not, we put in operation unit root test, cointegration test. And we apply Granger causality based on an error correction model. The results indicate that uni-dierctional causality between exchange rate and economic growth is detected. Exchange rate impacts on economic growth, but economic growth don't impact on exchange rate. The analysis of impulse reaction function shows that the impulse of exchange rate impacts on Korean economic growth in negative direction. We can infer policy suggestion as follows: The fluctuation of exchange rate much affects economic growth, thus we must make a stable policy of exchange rate to continue economic growth.

• Journal of Environmental Science International
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• v.30 no.5
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• pp.399-406
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• 2021

The dissolution of ionized gas in dielectric barrier plasma, similar to the principle of ozone generation, is a major performance-affecting factor. In this study, the plasma gas dissolving performance of a gas mixing-circulation plasma process was evaluated using an experimental design methodology. The plasma reaction is a function of four parameters [electric current (X₁), gas flow rate (X₂), liquid flow rate (X₃) and reaction time (X₄)] modeled by the Box-Behnken design. RNO (N, N-Dimethyl-4-nitrosoaniline), an indictor of OH radical formation, was evaluated using a quadratic response surface model. The model prediction equation derived for RNO degradation was shown as a second-order polynomial. By pooling the terms with poor explanatory power as error terms and performing ANOVA, results showed high significance, with an adjusted R² value of 0.9386; this indicate that the model adequately satisfies the polynomial fit. For the RNO degradation, the measured value and the predicted values by the model equation agreed relatively well. The optimum current, gas flow rate, liquid flow rate and reaction time were obtained for the highest desirability for RNO degradation at 0.21 A, 2.65 L/min, 0.75 L/min and 6.5 min, respectively.