• 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.

• 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.

• The Korean Journal of Ceramics
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• v.4 no.3
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• pp.235-239
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• 1998

Ultrafine $SnO_2$ powder was prepared by the diffusion mixing gas-phase reaction of $SnCl_4$(g) and water vapor. The effects of reaction variables, such as the chloride partial pressure, the reaction temperature, and the residence time is the reactor, on the powder size were examined systematically. Calculated concentration and distribution of chemical species, using the Burke-Schumann diffusion mixing model, were compared with the experimetal results. The effects of the reaction variables on the powder size were also discussed qualitatively.

• 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.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2015.05a
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• pp.48-49
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• 2015

High-calcium fly ash (FH) is widely used as mineral admixtures in concrete industry. In this paper, a hydration model is proposed to describe the hydration of high-calcium fly ash blended-cement. This model takes into account the hydration reaction of cement, the chemical reaction of fly ash, and reaction of free CaO in fly ash. Using the proposed model, the development of compressive strength of FH blended concrete is predicted using the amount of calcium silicate hydrate (CSH). The agreement between simulation and experimental results proves that the new model is quite effective.

• Bulletin of the Korean Chemical Society
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• v.25 no.1
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• pp.69-72
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• 2004

The N-alkylation of 4-aminopyrimidine with a tetrahydro-3-aza-cyclopropa[c]inden-5-one, which is a model reaction of the pharmacophore of duocarmycins, was studied with a quantum chemical method. We consider two factors for the acceleration of the N-alkylation; distortion and protonation of the model pharmacophores. The distortion of the spirocyclopropyl moiety in the model spirocyclopropylcyclohexadienone could induce an intrinsic energy of 3-4 kcal/mol, but the protonation on the carbonyl oxygen of the model cyclohexadienone lowers the transition energy of the N-alkylation of 4-aminopyrimidine dramatically (~46 kcal/mol) and is considered to play a major role in the enzyme reaction. The distorted and protonated spirocyclohexadienone is exothermally relieved to a phenol with the heat of reaction of -37 kcal/mol. The protonation process is proposed to be the mode of action of duocarmycins in the DNA alkylation.

• Journal of the Korean Society of Combustion
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• v.19 no.4
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• pp.49-55
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• 2014

Design criterion for the size of micro Pt-catalytic combustor is investigated in terms of heat release rate. One-dimensional plug flow model is applied to determine the surface reaction constants using the experimental data at stoichiometric butane-air mixture. With these reaction constants, the mass fraction of butane and heat release rate predicted by the plug flow model are in good agreement with the experimental data at the combustor exit. The relationship between the size of micro catalytic combustor and mixture flowrate is introduced in the form of product of two terms-the effect of fuel conversion efficiency, and the effect of chemical reaction rate and mass transfer rate.

• Microbiology and Biotechnology Letters
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• v.23 no.4
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• pp.425-431
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• 1995

A kinetic model of the cyclodextrin formation in a heterogeneous enzyme reaction system using swollen extrusion starch as substrate was derived emphasing the structural features of extrusion starch. The degree of gelatinization, the ratio of accessible and inaccessible portion of extrusion starch, adsorption of CGTase on swollen starch, the structural transformation during reaction, and product inhibition caused by produced CDs were considered in deriving kinetic model. Various kinetic constants were also evaluated. The derived kinetic equation was numerically simulated, which result showed that the derived kinetic equations can be used to predict the experimental data reasonably well under the various experimental conditions. Kinetic model can be utilized for the optimization of enzyme reactor and the process development for CD production from swollen extrusion starch.

• International Journal of Railway
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• v.8 no.2
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• pp.42-45
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• 2015

Alkali-silica reaction (ASR) is a chemical reaction in concrete that alkalis in cement react with reactive silica in aggregate in the presence of water. When ASR takes place, it produces gels that absorb water and expand. Swelling of ASR gels can damage concrete and cause cracking and volume expansion in concrete structure. In this paper, mechanical consequences of ASR on concrete are simulated by a finite element (FE) analysis. An FE model of concrete is built. The evolution of concrete mechanical properties subjected to ASR is achieved by FE analyses. The constitutive model of concrete is attained via the FE analysis. A case study is used to demonstrate the proposed method. The simulated results using the proposed model are in good agreement with the observations of concrete with ASR reported in the literature. The results can be used for a basic research to enhance durability of concrete slab tracks and concrete railway sleepers.

• Journal of Korean Society of Water and Wastewater
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• v.18 no.5
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• pp.656-665
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• 2004

An Ozone reaction model combined with CFD(Computational Fluid Dynamics) technique was developed in this research, in the simulation of ozonation, hydrodynamic behavior as well as reaction model is important because ozone is supplied to treated water as gas ozone. In order to evaluate hydrodynamic behavior in an ozone contactor, CFD technique was applied. CFD technique elucidated hydrodynamic behavior in the selected ozone contactor, which consisted of three main chambers. Three back-mixing zones were found in the contactor. The higher velocities of water were observed in the second and third compartments than that in the first compartment. The flow of the opposite direction to the main flow was observed near the water surface. Based on the results of CFD simulation, the ozone contactor was divided into small compartments. Mass balance equations were established were established in each compartment with reaction terms. This reaction model was intended to predict dissolved ozone concentration, especially. We concluded that the model could predict favorably the mass balance of ozone, namely absorption efficiency of gaseous ozone, dissolved ozone concentration and ozone consumption. After establishing the model, we discussed the effect of concentration of gaseous ozone at inlet, temperature and organic compounds on dissolved ozone concentration.