• 공업화학
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• 제23권2호
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• pp.204-209
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• 2012

상업용 루테늄 촉매 상에서 에탄의 수증기 개질 반응에 대한 kinetics 데이터를 얻기 위하여 반응온도, 에탄의 분압, 수증기/에탄의 비 등을 변화시키면서 반응 실험을 수행하였다. Kinetics 데이터를 사용하여 Power rate law kinetic model 과 Langmuir-Hinshelwood model의 parameter를 구하였다. 또한 kinetic model식을 적용하여 PRO/II를 이용한 공정 모사를 통해서 에탄의 수증기 개질 반응기 sizing을 수행하였다. 동일한 전환율을 얻기 위해서는 Power rate law model을 적용하였을 경우가 Langmuir-Hinshelwood model을 적용하였을 경우보다 개질 반응기의 부피가 더 큼을 알 수 있었다. Langmuir-Hinshelwood model에 의해 계산된 반응 속도가 반응 실험 결과에 의해 구해진 반응 속도와 더 잘 일치했기 때문에 Langmuir-Hinshelwood model을 적용하여 계산된 반응기의 크기가 실제 반응기 설계에 더 적절하다고 판단된다.

• The Korean Journal of Ceramics
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• 제4권3호
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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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• 제29권2호
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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.

• 한국건축시공학회:학술대회논문집
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• 한국건축시공학회 2015년도 춘계 학술논문 발표대회
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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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• 제25권1호
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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.

• 한국연소학회지
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• 제19권4호
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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.

• 한국미생물·생명공학회지
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• 제23권4호
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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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• 제8권2호
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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.

• 상하수도학회지
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• 제18권5호
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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.

• 자원리싸이클링
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• 제24권6호
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• pp.3-8
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• 2015

일정 온도에서 중량 변화를 통하여 가스화 반응 특성을 살펴볼 수 있는 열중량 분석기(thermobalance)를 이용하여 하수슬러지의 수증기 가스화 특성 및 발생 가스의 농도 분석을 실시하였다. 반응 온도 및 수증기의 분압이 증가할수록 가스화 반응이 촉진되어 반응 속도가 증가하는 것으로 나타났다. 반응 kinetics 해석은 기체-고체 화학반응의 세 가지 모델이 이용되었다. 이 중 하수슬러지 촤의 수증기 가스화는 modified volumetric reaction model이 반응 kinetics를 가장 잘 나타내었으며, 이 때 activation energy와 빈도 인자는 각각 155.5 kJ/mol, $14,087s^{-1}atm^{-1}$로 분석되었다. 또한, 수증기의 분압에 따른 반응 차수는 0.68이었다. 합성가스의 발생 특성을 살펴보고자 $900^{\circ}C$에서 생성 합성가스를 분석한 결과 수소의 농도가 가장 높았으며 수증기 분압이 증가할수록 생성기체의 농도 특히 수소 농도가 급격히 증가하였다. 가스화와 동시에 수성가스화 변환반응이 진행되어 생성기체의 수소 생성 농도가 일산화탄소에 비하여 2-4배 높은 값을 나타내었다.