• 제어로봇시스템학회:학술대회논문집
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• 제어로봇시스템학회 1992년도 한국자동제어학술회의논문집(국제학술편); KOEX, Seoul; 19-21 Oct. 1992
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• pp.100-105
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• 1992

A mathematical model is developed for a CSTR in which free radical solution polymerization of methyl methacrylate(MMA) takes place. It turns out that five ordinary differential equations are to be treated simultaneously in order to predict the reactor performance. Although the reaction proceeds under the conditions of relatively low temperature and pressure, the system shows very complex bifurcation features due to the diffusion limitation (gel effect) and the temperature dependence of the kinetic parameters and physical properties. The effects of various system parameters on the reactor performance as well as on the polymer properties are investigated by using the bifurcation analysis. The application of the singularity theory enables us to divide the parameter space into several different regions, in each of which the system takes a unique steady state structure. Under certain circumstances, complex dynamic features such as HB points and limit cycles are observed and these should be taken into consideration in the reactor design.

• Bulletin of the Korean Chemical Society
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• 제20권11호
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• pp.1329-1334
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• 1999

The curing characteristics of diglycidyl ether of bisphenol A (DGEBA) with diaminodiphenylmethane (DDM) as a curing agent were studied using differential scanning calorimetry (DSC), rheometrics mechanical spectrometry (RMS), and dielectric analysis (DEA). The isothermal curing kinetics measured by DSC were well represented with the generalized auto-catalytic reaction model. With the temperature sweep, the inverse relationship between complex viscosity measured by RMS and ionic conductivity obtained from DEA was established indicating that the mobility of free ions represented by the ionic conductivity in DEA measurement and the chain segment motion as revealed by the complex viscosity measured from RMS are equivalent. From isothermal curing measurements at several different temperatures, the ionic conductivity contribution was shown to be dominant in the dielectric loss factor at the early stage of cure. The contribution of the dipole relaxation in dielectric loss factor became larger as the curing further proceeded. The critical degrees of cure, at which the dipolar contribution in the dielectric loss factor starts to appear, increases as isothermal curing temperature is increased. The dielectric relaxation time at the same degree of cure was shorter for a sample cured at higher curing temperature.

• 한국콘크리트학회:학술대회논문집
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• 한국콘크리트학회 2009년도 춘계 학술대회 제21권1호
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• pp.565-566
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• 2009

Supplementary cementing materials (SCM), such as silica fume, slag, and low-calcium fly ash, have been widely used as mineral admixtures in high strength and high performance concrete. Due to the chemical and physical effect of SCM on hydration, compared with Portland cement, hydration process of cement incorporating SCM is much more complex. This paper presents a numerical hydration model which is based on multi-component concept and can simulate hydration of cement incorporating SCM. The proposed model starts with mixture proportion of concrete and considers both chemical and physical effect of SCM on hydration. Using this proposed model, this paper predicts the following properties of hydrating cement-SCM blends as a function of hydration time: reaction ratio of SCM, calcium hydroxide content, heat evolution, porosity, chemically bound water and the development of the compressive strength of concrete. The prediction results agree well with experiment results.

• 대한기계학회논문집
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• 제18권12호
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• pp.3109-3117
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• 1994

To operate a flexible mechanism in high speed its weight must be reduced as far as the structural strength does not decrease too much, but a light-weighted mechanism causes undesirable elastodynamic responses deteriorating the system performance. Besides, clearance within the connections of mechanisms causes rapid wear, increased noise and vibration. Even if the problems described above must be considered in the initial design stage, there has been no effective design process which takes account of the correlation between dynamic characteristics of flexible mechanism and the clearance effect at the joint. In this study, the generalized elastodynamic governing equations which include dynamic characteristics and boundary conditions of flexible mechanism are derived by variational calculus and solved by using FFM theory. To take the clearance effect at joint into account a new dynamic model is presented and also the method of modified stiffness/damping matrix is proposed to activate the dynamic clearance model, which cooperates with the developed governing equation very easily. As the results of this study, the proposed method(modified stiffness/damping matrix) to calculate clearance effect was proved to be superior to the existing one(force reaction method) in solution convergency and calculation performance. Besides this method can be easily adopted to the complex shape joint without calculation of reaction force direction.

• Bulletin of the Korean Chemical Society
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• 제18권8호
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• pp.868-873
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• 1997

Nucleophilic substitution reactions of 1-phenylethyl chlorides (1-PEC; YC6H4CH(CH3)Cl) with phenoxides (XC6H4O-) and thiophenoxides (XC6H4S-) are investigated theoretically using the PM3 method. The Bronsted α and β values are greater for the phenoxides indicating a more advanced reaction in the transition state (TS) than for the thiophenoxides. This is supported by a greater magnitude of ρX (- 6.4 ∼ - 7.4) and ρXY (- 0.76) for the phenoxides than for the thiophenoxides (ρX = - 3.6 ∼ - 4.4 and ρXY = - 0.60). The percentage bond order changes, %Δn≠, suggest that the extents of bond making and breaking are similar for the phenoxides and hence the TS is symmetrical, but bond making is somewhat greater than bond cleavage for the thiophenoxides indicating an unsymmetrical TS. The reactions in the gas phase for both nucleophile series proceed by a SN2 mechanism with a tight TS and negative charge development on the reaction center carbon, Cα. The reactions in water investigated with model systems of benzyl and 1-phenylethyl chlorides using the Cramer-Truhlar solvation model (PM3-SM3) indicate that the reactions of 1-PEC are far more complex due to enhanced stabilization of the carbocation by the methyl substitution for a benzylic hydrogen.

• Food Science and Biotechnology
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• 제18권1호
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• pp.66-72
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• 2009

An aqueous ribose-cysteine model system (initial pH 5.6) was conventionally heated to the same browning at varying temperatures ($120-180^{\circ}C$), supercritical carbon dioxide (SC-$CO_2$, 20 MPa) was also applied on the same matrices for same periods at each temperature and about 20% reduction of the absorbance at 420 nm was observed as compared with sole thermal treatment. The headspace volatiles from Maillard reaction mixtures were analyzed by solid-phase microextraction (SPME) in combination with gas chromatography and mass spectrometry (GC-MS), and predominated with sulfur containing compounds, such as thienothiophenes, polysulfur alicyclics, thiols, and disulfides. Reaction temperature exhibited complex effects on volatiles formation and those effects became further complicated by the SC-$CO_2$ treatment. The formation of noncarbonyl polysulfur heterocyclic compounds and thienothiophenes was generally favored at high temperatures. Most volatiles were inhibited in SC-$CO_2$ as compared with thermal treatment alone, however, the well-known meaty aromatic compounds, such as thiols and disulfides, were obviously enhanced.

• 한국수자원학회:학술대회논문집
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• 한국수자원학회 1993년도 수공학연구발표회논문집
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• pp.175-182
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• 1993

The complex nature of low flow transport and tranformation of nonconservative pollutants in natural streams with pools and riffles has been investigated using a numerical solution of a proposed mathematical model that is based on a set of mass balance equations describing hydrodynamic processes (advection, dispersion, and mass exchange mechanicms in streams and in storage zones) and chemical processes (reaction or decay). In this study, a mathematical model (named "Storage-Transformation Model") has been developed to predict adequately the non-Fickian nature of mixing and transformation mechanisms for decaying substances in natural streams under low flow conditions. Comparisons between the concentration-time curves predicted usingthe proposed model and the measured stream data shows that the Storage-Transformation Model yields better agreements in the goneral shape, peak concentration and time to peak than the 1-D dispersion model. The result of this study also demonstrates the differences between transport in pool-and-riffle streams versus transport in more uniform channels. The proposed model shows significant improvement over the conventional 1-D disperision model in predicting natural mixing and stroage processes in streams through pools and riffles.

• 대한화학회지
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• 제53권5호
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• pp.499-504
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• 2009

금속은 생명현상에 필수적인 효소반응에서 핵심적인 역할을 수행한다. 따라서 금속효소 안에서 일어나는 반응에 대한 구체적인 메커니즘은 많은 과학자의 오랜 관심사였다. Methane MonoOxygenase (MMO)는 메탄을 메탄올로 산화시키는 반응을 일으키는 효소이며 최근 Tolman등은 MMO의 모델로서 Bis(μ-oxo)dicopper Complexes의 Hydroxide Transfer 반응에 대한 몇 가지 가능한 메커니즘을 제시하였다. 이후 Hydrogen Transfer와 Hydroxide Rebound의 2단계로 이루어지는 메커니즘이 이론적으로 제시 되었다. 본 연구에서는 Bis($\mu$-oxo)dicopper Complexes 의 반응단계 중 첫 번째 단계인 Hydrogen Transfer 반응과정의 반응물과 전이상태, 생성물의 구조를 최근에 개발된 M06계열의 M06, M06L, M06-2X를 비롯한 여러 가지 DFT방법을 이용하여 계산하였다. M06/6-31G(d,p)/LANL2DZ방법을 사용하여 계산된 반응물의 구조가 실험에서 얻은 XRD구조와 가장 잘 일치했으며 기저함수의 크기에 따라 전이상태의 구조, 활성화 에너지 및 반응에너지에 큰 차이를 보였다.

• 한국재료학회지
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• 제29권12호
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• pp.753-756
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• 2019

Orthorhombic dysprosium manganite DyMnO₃ with single phase is synthesized using solid-state reaction technique and the crystal structure and dielectric properties as functions of temperature and frequency are investigated. Thermally activated dielectric relaxations are shown in the temperature dependence of the complex permittivity, and the respective peaks are found to be shifted to higher temperatures as the measuring frequency increases. In Arrhenius plots, activation energies of 0.32 and 0.24 eV for the high- and low-temperature relaxations are observed, respectively. Analysis of the relationship between the real and imaginary parts of the permittivity and the frequencies allows us to explain the dielectric behavior of DyMnO₃ ceramics by the universal dielectric response model. A separation of the intrinsic grain and grain boundary properties is achieved using an equivalent circuit model. The dielectric responses of this circuit are discerned by impedance spectroscopy study. The determined grain and grain boundary effects in the orthorhombic DyMnO₃ ceramics are responsible for the observed high- and low-temperature relaxations in the dielectric properties.

• 제어로봇시스템학회논문지
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• 제13권2호
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• pp.173-178
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• 2007

This paper is to establish an appropriate model for predicting the temperature decreases in the batch transferred from the refining process to the caster in steel-making companies. Mathematical modeling of the temperature decreases between the processes is difficult, since the reaction mechanism by which the temperature changes in a molten steel batch is dynamic, uncertain and complex. Three soft computing techniques are examined using the same data, namely the multiple regression, fuzzy regression, and neural net (NN) models. To compare the accuracy of these three models, a limited number of input variables are selected from those variables significantly affecting the temperature decrease. The results show that the difference in accuracy between the three models is not statistically significant. Nonetheless, the NN model is recommended because of its adaptive ability and robustness. The method presented in this paper allows the temperature decrease to be predicted without requiring any precise metallurgical knowledge.