• 대한화학회지
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• 제8권1호
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• pp.20-24
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• 1964

종합 오비탈을 모형식으로 결합하여 분자 오비탈을 만드는 방법(linear combination of bond orbitals method, LCBO법)을 응용하여 할로겐화메탄($CH_nX_{4-n}$)과 이를 공변하는 원자(혹은 자유기)와의 추출반응(abstraction reaction $CH_nX_{4-n}\;+\;A\;{\to}\;CH_nX_{3-n}\;+\;XA$)에 대한 반응성을 연구하려는 것이 이 논문의 목적이다. 이 반응의 활성화에테르기 ${\eta}$를 계산하려고 다음과 같은 특정을 하였다. $CH_nX_{4-n}$분자가 활성화복합물로 변할때 그의 반응성 결합(reactive bond) C-X에 있는 두 전자는 완전히 이 분자의 타 ${\eta}전자계로부터 분리된다.이런 모델은 자미있는 직감적인 관념을 유인하게 되니 즉 반응성종합과 그의 주위에 있는 화학종합과의 상호작용에 의하여 ${\eta}$전자계의 반응성이 좌우된다는 것이다. 저자들의 이론적계산에 의하면 ${\eta}$는 다음식으로 표시된다. ${\varepsilon}={\zeta}+{\sum}_{i=1}^3{\eta}c-I,$ c-4 (1) Subscript C-i (i=1,2,3)는 C와 원자 i(i=H, Cl, Br, F,${\cdots}$)간의 화학결합을 표시하며 C-4 (4=(4=Cl, Br${\cdots}$) 는 반응성결합을 가르킨다. ${\zeta}$ξ는 상수한 바와 같이 완전분리상태에 있는 C-4종합과 공변원자 A간의 가상적 반응의 활성화에테르기이며 ${\eta}$C-i, C-4는 C-4와 그의 주위결합 C-i간의 상호작용에 의하여 안정화되는 에테르기를 표시한다. 결합강도와 양립하는 ${\eta}$치는 추출하여 (1)식에 대입하면 차식이 유도된다. ${\varepsilon}={\zeta}\;+\;N{\eta}c$-H, C-4 (2) N은 $CH_nX_{4-n}$분자중에 있는 C-4이상의 C-H 및 C-F결합들의 총수이다. 실험치의 를 N에 대하여 도시하면 $CH_nCo_{4-n}\;+\;H\;{\to}\;HCl\;+\;CH_nCl_{3-n},\;CH_nX_{4-n}\;+\;Na\;{\to}\;NaCl\;+\;CH_nCl_{3-n},\;CH_nX_{4-n} \;Na\;{\to}\;NaBr\;+\;CH_nCl_{3-n}$反應系들에 對하여 좋은 直線을 주니 (2)식이 實驗과 一致한다는 것이다

• 한국에너지공학회:학술대회논문집
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• 한국에너지공학회 2001년도 추계 학술발표회 논문집
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• pp.69-76
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• 2001

The coal gasification process of a slurry feed type, entrained-flow coal gasifier was numerically predicted in this paper. By divding the complicated coal gasification process into several simplified stages suh as slurry evaporation, coal devolitilisation and two-phase reactions coupled with turbulent flow and two-phase heat transfer, a comprehensive numerical model was constructed to simulate the coal gasification process. The k-$\varepsilon$turbulence model was used for the gas phase flow while the Random-trajectory model was applied to describe the behavior of the coal slurry particles. The unreacted-core shrinking model and modified Eddy Break-Up(EBU) model were used to simulate the heterogeneous and homogeneous reactions, respectively. The simulation results obtained the detailed informations about the flow field, temperature inside the gasifier. Meanwhile, the simulation results were compared with the experimental data as function of $O_2$/coal ratio. It illustrated that the calculated carbon conversions agreed with the measured ones and that the measurd quality of the atngas was better than the calculated one when the $O_2$/coal ratio increases. The result was related with the total heat loss through the gasifier and uncertain kinetics for the heterogeneous reactions.

• Wind and Structures
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• 제18권5호
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• pp.549-566
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• 2014

In spite of progress in the numerical simulation of typhoon wind field in atmospheric boundary layer (ABL), using typhoon wind field model in conjunction with Monte Carlo simulation method can only accurately evaluate typhoon wind field over a general terrain. This method is not enough for a reliable evaluation of typhoon wind field over the actual complex terrain with surface roughness and topography variations. To predict typhoon wind field over the actual complex terrain in ABL, a hybrid numerical simulation method combined typhoon simulation used the typhoon wind field model proposed by Meng et al. (1995) and CFD simulation in which the Reynolds averaged Navier-Stokes (RANS) equations and k-${\varepsilon}$ turbulence model are used. Typhoon wind filed during typhoon Dujuan and Imbudo are simulated using the hybrid numerical simulation method, and compared with the results predicted by the typhoon wind field model and the wind field measurement data collected by Fugro Geotechnical Services (FGS) in Hong Kong at the bridge site from the field monitoring system of wind turbulence parameters (FMS-WTP) to validate the feasibility and accuracy of the hybrid numerical simulation method. The comparison demonstrates that the hybrid numerical simulation method gives more accurate prediction to typhoon wind speed and direction, because the effect of topography is taken into account in the hybrid numerical simulation method.

• 한국대기환경학회지
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• 제23권2호
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• pp.214-224
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• 2007

A three-dimensional computational fluid dynamics (CFD) model with the renormalization group (RNG) $k-{\varepsilon}$ turbulence model is used to examine the effects of difference in building height on flow and pollutant dispersion in asymmetric street canyons. Three numerical experiments with different street canyons formed by two isolated buildings are performed. In the experiment with equal building height, a portal vortex is formed in the street canyon and a typical recirculation zone is formed behind the downwind building. In the experiment with the downwind building being higher than the upwind building, the ambient flow comes into the street canyon at the front of the downwind building and incoming flow diverges strongly in the street canyon. Hence, pollutants released therein are strongly dispersed through the lateral sides of the street canyon. In the experiment with the upwind building being higher than the downwind building, a large recirculation zone is formed behind the upwind building, which is disturbed by the downwind building. Pollutants are weakly dispersed from the street canyon and the residue concentration ratio is largest among the three experiments. This study shows that the difference in upwind and downwind building height significantly influences flow and pollutant dispersion in and around the street canyon.

• Membrane and Water Treatment
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• 제1권2호
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• pp.139-158
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• 2010

This work focuses on the application of nanofiltration (NF) to the concentration of a pharmaceutical product, Clavulanate ($CA^-$), from clarified fermentation broths, which show a complex composition with six main identified ions ($K^+$, $Cl^-$, ${NH_4}^+$, $H_2{PO_4}^-$, ${SO_4}^{2-}$ and $CA^-$), glucose and glycerol. The solutes transport through the NF membrane pores was investigated using the SEDE (Steric, Electric and Dielectric Exclusion) model. This model was applied to predict the rejection rates of the initial feed solution and the final concentrated solution (10-fold concentrated solution). The best results were achieved with a single fitted parameter, ${\varepsilon}_p$ (the dielectric constant of the solution inside pores) and considering that the membrane selectivity is governed by steric, electric (Donnan) and Born dielectric exclusion mechanisms. While the predicted intrinsic rejections of solutions comprising up to six ions and uncharged solutes were in good agreement with the experimental values, the deviations were much larger for the 10-fold concentrated solution.

• 한국산업융합학회 논문집
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• 제10권2호
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• pp.89-96
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• 2007

For the environment protection, carbon dioxide as a natural refrigerant has been studied to use in an automotive air conditioning system. Hence, a numerical model has been developed to describe the evaporation phenomena of carbon dioxide flowing through very small diameter tubes. The two dimensional low-Reynolds $k-{\varepsilon}$ model was used to predict the flow phenomena of carbon dioxide in the two phase during its evaporation. Furthermore, the results obtained from the model were compared with the experiments for the validation. The heat transfer coefficient is lower, as the tube inner diameter becomes smaller. However, the amount of heat absorbed by a unit mass of carbon dioxide is greater due to more surface area. Therefore, the small diameter tube has advantage in terms of compact design of evaporator. When the inlet condition of pressure and temperature is low, the heat transfer coefficient is slightly high at the same size of tube because of the thermal properties of carbon dioxide.

• 한국소음진동공학회논문집
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• 제12권6호
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• pp.461-468
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• 2002

Computer simulation is essential to design the suspension elements of railway vehicle. By computer simulation, engineers can assess the feasibility of the given design factors and change them to get a better design. But if one wishes to perform complex analysis on the simulation, such as railway vehicle dynamic, the computational time can become overwhelming. Therefore, many researchers have used a surrogate model that has a regression model performed on a data sampling of the simulation. In general, metamodels(surrogate model) take the form y($\chi$)＝f($\chi$)＋$\varepsilon$, where y($\chi$) is the true output, f($\chi$) is the metamodel output, and is the error. In this paper, a second order polynomial equation is used as the RSM(response surface model) for high speed train that have twenty-nine design variables and forty-six responses. After the RSM is constructed, multi-objective optimal solutions are achieved by using a nonlinear programming method called VMM(variable matric method) This paper shows that the RSM is a very efficient model to solve the complex optimization problem.

• Management Science and Financial Engineering
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• 제19권2호
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• pp.31-36
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• 2013

We propose a war-game model that is appropriate for a raid-type warfare in which, a priori, the maneuver of the attacker is relatively certain. The model is based on a multi-weapon extention of the Lanchester's law. Instead of a continuous time dynamic game with the differential equations from the Lanchester's law, however, we adopt a multi-period model relying on a time-discretization of the Lanchester's law. Despite the obvious limitation that two players make a move only on the discrete time epochs, the pragmatic model has a manifold justification. The existence of an equilibrium is readily established by its equivalence to a finite zero-sum game, the existence of whose equilibrium is, in turn, well-known to be no other than the LP-duality. It implies then that the war-game model dictates optimal strategies for both players under the assumption that any strategy choice of each player will be responded by a best strategy of her opponent. The model, therefore, provides a sound ground for finding an efficient reinforcement of a defense system that guarantees peaceful equilibria.

• Journal of Biosystems Engineering
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• 제32권6호
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• pp.422-429
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• 2007

To prevent deterioration of agricultural products during cold transportation, optimized temperature control is essential. Because the control of temperature and thermal uniformity of transported products are mainly governed by cooling air flow pattern in the transportation equipment, the accurate understanding and removal of appearance of stagnant air zone by poor ventilation is key to design of optimized cooling environment. The objectives of this study were to develop simulation model to predict the airflow and heat transfer phenomena in the cold container and to evaluate the effect of fan blowing velocity on the temperature level and uniformity of products using the CFD approach. Comparison of CFD prediction with PIV measurement showed that RSM turbulent model reveals the more reasonable results than standard $k-{\varepsilon}$ model. The increment of fan blowing velocity improved the temperature uniformity of product and reduced almost linearly the averaged temperature of product.

• Wind and Structures
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• 제14권5호
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• pp.435-447
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• 2011

A Computational Fluid Dynamics model is presented in this study for the simulation of the complex fluid flows with free surfaces inside the Tuned Liquid Column Dampers in horizontal motion. The characteristics of the fluid model of the TLCD in horizontal motion include the free surface of the multiphase flow and the horizontal moving frame. In this study, the time depend unsteady Standard ${\kappa}-{\varepsilon}$ turbulent model based on Navier-Stokes equations is chosen. The volume of fluid (VOF) method and sliding mesh technique are adopted to track the free surface of water inside the vertical columns of TLCD and treat the moving boundary of the walls of TLCD in horizontal motion. Several model solution parameters comprising different time steps, mesh sizes, convergence criteria and discretization schemes are examined to establish model parametric independency results. The simulation results are compared with the experimental data in the dimensionless amplitude of the water column in four different configured groups of TLCDs with four different orifice areas. The predicted natural frequencies and the head loss coefficient of TLCDs from CFD model are also compared with the experimental data. The predicted numerical results agree well with the available experimental data.