• 멤브레인
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• 제13권4호
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• pp.268-282
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• 2003

불완전 분리의 실질적인 분리투과 특성을 근거로 하는 모사모델을 이용하여 투과증발 막촉진 에스터화 반응의 실질적인 거동을 연구하였다. 막의 분리효율, 막의 물제거 능력을 모델에 포함시킴으로써 반응모사를 통하여 이들이 막촉진반응에 어떻게 영향을 끼치는지를 체계적으로 관찰할 수 있었다. 막을 통한 비완전분리가 일어날 경우에 초기 반응물 몰비율이 1이 아닐 때 반응 혼합물중 소량으로 존재하는 반응성분이 투과되거나, 혹은 초기 반응물 몰비율이 1인 반응 혼합물중 어느 반응성분이 투과되든지 반응이 완결될 수 없었다. 생성물인 에스터가 물과 함께 일부 투과될 경우 정방향 반응속도를 증가시켜 시간에 따른 반응 전환률을 증가시킨다. 막을 통한 불완전 분리시 막을 통한 투과로 인하여 발생하는 반응혼합물의 부피감소로 인하여 반응성분 뿐 아니라 생성성분의 농도가 증가되는데 이들 농도증가가 반응속도에 상반된 영향을 끼친다; 반응물 농축은 반응속도를 증가시키나 생성물 농축은 역방향의 반응을 촉진시킴으로서 반응속도를 감소시킨다. 반응초기에는 반응물 농축효과가 우세하나 반응이 진행됨에 따라 생성물 농축효과가 우세하여 반응속도를 저하시킴이 모사결과 관찰되었다.

• Bulletin of the Korean Chemical Society
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• 제26권1호
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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.

• 대한수학회지
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• 제57권1호
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• pp.249-281
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• 2020

A reaction-diffusion model with spatiotemporal delay modeling the dynamical behavior of a single species is investigated. The parameter regions for the local stability, global stability and instability of the unique positive constant steady state solution are derived. The conditions of the occurrence of Turing (diffusion-driven) instability are obtained. The existence of time-periodic solutions, the existence and nonexistence of nonconstant positive steady state solutions are proved by bifurcation method and energy method. Numerical simulations are presented to verify and illustrate the theoretical results.

• 대한인간공학회지
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• 제11권2호
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• pp.47-56
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• 1992

In this paper, a mathematical model of learning curve is proposed to study the fi- nger's reaction time. The model is a logarithmic linear type which represents a lear- ning curve appropriately, and parameters are estimated by the linear. The learning coefficient and percentage of a reaction time can easily computed in the mathematical model. This quantitative approach provieds an important information to be used fot the working capqbility qualification of re-employment as well as the adaptability estimation of aged workers.

• 대한인간공학회:학술대회논문집
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• 대한인간공학회 1992년도 추계학술대회논문집
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• pp.113-120
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• 1992

In this paper, a mathematical model of learning curve is proposed to study the finger's reaction time. The model is a logarithmic linear type which represents a learning curve appropriately, and parameters are estimated by the linear. The learning coefficient and percentage of a reaction time can be easily computed in the mathematical model. This quantitative approach provides an important information to be used for the working capability qualification for re-employment as well as for the adaptability estimation of aged workers.

• International Journal of Concrete Structures and Materials
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• 제6권3호
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• pp.155-163
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• 2012

In order to predict the neutralization of concrete which is the reaction of carbonation dioxide from the outside and cement hydration product, such as calcium hydroxide and C-S-H, it was studied the numerical analysis method considering change of the pore structure and relative humidity during the neutralization reaction. Diffusion-reaction neutralization model was developed to predict the neutralization depth of concrete with coating finishing material. In order to build numerical analysis models considering outdoor environment and finishing materials, the adaption of proposed model was shown the results of existing outdoor exposure test results and accelerated carbonation test.

• 한국결정성장학회지
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• 제26권5호
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• pp.209-214
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• 2016

Foam reaction injection molding (FRIM) is a widely used process for manufacturing polyurethane foam with complex shapes. Numerical model for polyurethane foam forming reaction during FRIM process has been intensively investigated by a number of researchers to precisely predict final shapes of polyurethane foams. In this study, we have identified a problem related with a previous theoretical model for polyurethane foam forming reaction. Thus, previous theoretical model was modified based on experimental and computational results.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2007년도 춘계학술대회B
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• pp.1997-2002
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• 2007

The reformer is one of the most important chemical processes for the production of high purity hydrogen from fossil fuel. This study compares zero-dimensional model with CFD models for reaction analysis of methane-steam reformer. The zero-dimensional model is an empirical equation, however CFD model uses reactions of Arrhenius type. Because the reaction coefficients of the steam-methane catalytic reforming have not been reported before in the form of Arrhenius type, the present study aims to find the appropriate reaction coefficients. The used CFD code is Fluent 6.2 version. Several models are compared for the case of various operating temperature, mass of catalyst and steam to methane ratio.

• Computers and Concrete
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• 제16권1호
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• pp.37-48
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• 2015

Alkali aggregate reaction affects numerous civil engineering structures and causes irreversible expansion and cracking. This work aims at developing model to predict the potential expansion of concrete containing alkali-reactive aggregates. First, the paper presents the experimental results concerning the influence of particle size of an alkali-reactive aggregate on mortar expansion studied at 0.15-0.80 mm, 1.25-2.50 mm and 2.5-5.0 mm size fractions and gives data necessary for model development. Results show that no expansion was measured on the mortars using small particles (0.15-0.80 mm) while the particles (1.25-2.50 mm) gave the largest expansions. Finally, model is proposed to simulate the experimental results by studying correlations between the measured expansions and the size of aggregates and to calculate the thickness of the porous zone necessary to take again all the volume of the gel created by this chemical reaction.

• 한국건축시공학회:학술대회논문집
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• 한국건축시공학회 2014년도 추계 학술논문 발표대회
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• pp.13-14
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• 2014

Ultra high performance concrete (UHPC) consists of cement, silica fume (SF), sand, fibers, water and superplasticizer. Typical water/binder-ratios are 0.15-0.20 with 20-30% of silica fume. The development off properties of hardening UHPC relates with both hydration of cement and pozzolanic reaction of silicafume. In this paper, by considering the production of calcium hydroxide in cement hydration and its consumption in the pozzolanic reaction, a numerical model is proposed to simulate the hydration of UHPC. The degree of hydration of cement and degree of reaction of silica fume are obtained as accompanied results from the proposed hydration model. The properties of hardening UHPC, such as degree of hydration of cement, calcium hydroxide contents, and compressive strength, are predicted from the contribution of cement hydration and pozzolanic reaction. The proposed model is verified through experimental data on concrete with different water-to-binder ratios and silica fume substitution ratios.