• 산업기술연구
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• 제18권
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• pp.267-275
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• 1998

Continuous thermodynamics has been applied for modeling of phase equilibria in multicomponent mixtures, to avoid disadvantages of the pseudo-component and key-component method. In this paper continuous thermodynamic relations formulated by using the Pate-Teja equation of state were adopted for calculations of phase equilibria in natural gas mixtures, crude oil mixtures and mixtures extracted by supercritical $CO_2$ fluids. Calculations of phase equilibria were performed by two procedures ; a moment method coupled with the beta distribution function and a quadrature method combined with Gaussian-Legendre polynomials. Calculated results were compared with experimental data. It was showed that continuous thermodynamic frameworks considered in this paper were well-matched to experimental data.

• 산업기술연구
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• 제18권
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• pp.277-287
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• 1998

In this work continuous thermodynamics was adopted for describing the influence of copolymer polydispersity on phase separations in random copolymer solutions. Continuous themodynamic frameworks were formulated using the Flory-Huggin's excess Gibbs free energy model in which the concentration- and temperature-depentent terms of interaction parameter x were modified. Cloud-point curves and coexistence curves of poly(ethylene-vinylactate)/methylacetate solutions and poly(ehtylene-vinylacetate)/ethylacetate solutions were measured, and experimental data were fitted with theoretical relations formulated in this work. Calculated could-point curves were more good ageeable with experimental data than the modified Flory-Huggins's relations. Coexistence curves which were evaluated by using parameters of x estimated from experimental cloud-point curves, were found to coincide with experimental data.

• 산업기술연구
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• 제15권
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• pp.5-13
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• 1995

Natural gas, which is getting more important as a fuel, should be liquefied and shipped in a special tank. During transportation, a spill of liquefied natural gas(LNG) could occur by a collision or even an accident. As a result, violent explosion called the superheat-limit explosion(SLE) can take place in some cases, unexpectedly. Such explosion may result from the formation of a superheated liquid which has attained the superheat-limit temperature when hot(water) and cold(LNG) liquids come into contact. Natural gas mixtures can be considered as discrete light components plus continuous heavy fractions where several continuous distribution function can be adopted. This work is aiming at prediction of the superheat-limit explosion condition by suing continuous thermodynamics development of algorithm to predict.

• 자원환경지질
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• 제28권3호
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• pp.305-309
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• 1995

There is a deep and useful connection between thermodynamics (the behavior of systems with many degrees of freedom in thermal equilibrium at a finite temperature) and combinational or continuous optimization (finding the minimum of a given multiparameter function). At the heart of the method of simulated annealing is an analogy with the way that liquids freeze and crystallize, or metals cool and anneal. This paper provides a detailed description of simulated annealing. Although computationaly intensive, when it is carefully implemented, simulated annealing is found to give superior results to more traditional methods of nonlinear optimization.

• 한국재료학회지
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• 제19권9호
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• pp.473-480
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• 2009

In order to provide the mechanism of nozzle clogging, recovered nozzles for high strength steel grade were examined carefully after continuous casting. The thickness of clogged material in SEN is increased in the following order: from the bottom to the top of the nozzle, upper part of slag line, and the pouring hole. Nozzle clogging material begins to form due the adhesion of metal to nozzle wall, the decarburization, and reduction of oxide in the refractory by Al and Ti in the melt. The reduction of oxide in the refractory by Al and Ti improves the wettability of the melt on the refractory and forms a thin Al-Ti-O layer. Metal containing micro alumina inclusions is solidified on the Al-Ti-O layer, and the solid layer grows due to the heat evolution through the nozzle wall. Thermodynamic calculation has been made for the related reactions. The effect of superheat to the nozzle clogging is discussed on ultra low carbon steel and low carbon steel.

• Steel and Composite Structures
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• 제10권2호
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• pp.129-149
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• 2010

The objective of this study is to formulate a general 3D material-structural analysis framework for the thermomechanical behavior of steel-concrete structures in a fire environment. The proposed analysis framework consists of three sequential modeling parts: fire dynamics simulation, heat transfer analysis, and a thermomechanical stress analysis of the structure. The first modeling part consists of applying the NIST (National Institute of Standards and Technology) Fire Dynamics Simulator (FDS) where coupled CFD (Computational Fluid Dynamics) with thermodynamics are combined to realistically model the fire progression within the steel-concrete structure. The goal is to generate the spatial-temporal (ST) solution variables (temperature, heat flux) on the surfaces of the structure. The FDS-ST solutions are generated in a discrete form. Continuous FDS-ST approximations are then developed to represent the temperature or heat-flux at any given time or point within the structure. An extensive numerical study is carried out to examine the best ST approximation functions that strike a balance between accuracy and simplicity. The second modeling part consists of a finite-element (FE) transient heat analysis of the structure using the continuous FDS-ST surface variables as prescribed thermal boundary conditions. The third modeling part is a thermomechanical FE structural analysis using both nonlinear material and geometry. The temperature history from the second modeling part is used at all nodal points. The ABAQUS (2003) FE code is used with external user subroutines for the second and third simulation parts in order to describe the specific heat temperature nonlinear dependency that drastically affects the transient thermal solution especially for concrete materials. User subroutines are also developed to apply the continuous FDS-ST surface nodal boundary conditions in the transient heat FE analysis. The proposed modeling framework is applied to predict the temperature and deflection of the well-documented third Cardington fire test.

• 한국결정성장학회:학술대회논문집
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• 한국결정성장학회 1996년도 The 9th KACG Technical Annual Meeting and the 3rd Korea-Japan EMGS (Electronic Materials Growth Symposium)
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• pp.139-156
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• 1996

The phase field model is becoming the model of choice for the theoretical study of the morphologies of crystals growth from the melt. This model provides an alternative approach to the solution of the classical (sharp interface) model of solidification by introducing a new variable, the phase field, Ø, to identify the phase. The variable Ø takes on constant values in the bulk phases and makes a continuous transition between these values over a thin transition layer that plays the role of the classically sharp interface. This results in Ø being governed by a new partial differential equation(in addition to the PDE's that govern the classical fields, such as temperature and composition) that guarantees (in the asymptotic limit of a suitably thin transition layer) that the appropriate boundary conditions at the crystal-melt interface are satisfied. Thus, one can proceed to solve coupled PDE's without the necessity of explicitly tracking the interface (free boundary) that would be necessary to solve the classical (sharp interface) model. Recent advances in supercomputing and algorithms now enable generation of interesting and valuable results that display most of the fundamental solidification phenomena and processes that are observed experimentally. These include morphological instability, solute trapping, cellular growth, dendritic growth (with anisotropic sidebranching, tip splitting, and coupling to periodic forcing), coarsening, recalescence, eutectic growth, faceting, and texture development. This talk will focus on the fundamental basis of the phase field model in terms of irreversible thermodynamics as well as it computational limitations and prognosis for future improvement. This work is supported by the National Science Foundation under grant DMR 9211276

• 방사성폐기물학회지
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• 제21권4호
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• pp.427-438
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• 2023

Thermodynamic sorption modeling can enhance confidence in assessing and demonstrating the radionuclide sorption phenomena onto various mineral adsorbents. In this work, Ca-montmorillonite was successfully purified from Bentonil-WRK bentonite by performing the sequential physical and chemical treatments, and its geochemical properties were characterized using X-ray diffraction, Brunauer-Emmett-Teller analysis, cesium-saturation method, and controlled continuous acid-base titration. Further, batch experiments were conducted to evaluate the adsorption properties of Cs(I) and Sr(II) onto the homoionic Ca-montmorillonite under ambient conditions, and the diffuse double layer model-based inverse analysis of sorption data was performed to establish the relevant surface reaction models and obtain corresponding thermodynamic constants. Two types of surface reactions were identified as responsible for the sorption of Cs(I) and Sr(II) onto Ca-montmorillonite: cation exchange at interlayer site and complexation with edge silanol functionality. The thermodynamic sorption modeling provides acceptable representations of the experimental data, and the species distributions calculated using the resulting reaction constants accounts for the predominance of cation exchange mechanism of Cs(I) and Sr(II) under the ambient aqueous conditions. The surface complexation of cationic fission products with silanol group slightly facilitates their sorption at pH > 8.

• 공업화학
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• 제7권3호
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• pp.443-452
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• 1996

석유화학공정에서 fouling현상은 열교환기, 보일러, desalter 등 주요 전처리 시설 및 공정에 polymer, heavy paraffine, chemicals, heavy organics, asphaltene, resin, metallics, salts 등 불순물들이 침적 및 부식을 일으켜 각종 조업에 있어서 에너지의 다량소비 및 product yield의 감소 또는 공정의 중단으로 말미암아 생산성의 손실이 대단히 크다고 볼 수 있다. 본 연구에서는 석유화학 공정에서 foulants의 분리되는 양을 계산하고, 제어할 수 있는 model의 개발을 위하여 fouling 현상에 대한 modeling을 연속열역학과 Peng-Robinson 상태 방정식, 고분자 용액 이론, 다성분계 열역학 이론 등을 이용하여 fouling 현상에 대한 메카니즘규명과 모델링을 하였다.

• 청정기술
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• 제11권3호
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• pp.117-122
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• 2005

N-vinyl caprolactam (NVCL)은 초임계 분산 중합에 사용될 수 있는 비닐 아마이드 계열의 단량체이다. 이때 NVCL을 초임계 이산화탄소 상에서 분산 중합하기 위해서는 중합 초기 단계에 단량체가 $CO_2$에 모두 용해되어야 한다. 또한 최종 고분자로부터 미반응 단량체를 제거하기 위해서 중합 용매인 $CO_2$와 단량체 NVCL의 상거동 자료가 필수적이다. 하지만 단량체의 순수 물성은 측정 시 중합의 가능성이 있기 때문에 실험적인 제약이 있다. 본 연구에서는 이러한 단량체인 NVCL과 이와 유사한 작용기를 갖고 있는 N-methyl caprolactam (NMCL)의 순수 물성을 보다 정확하게 얻기 위하여 기존에 알려져 있는 그룹기여 방법을 수정하였다. 이때 유사한 구조를 갖는 ${\varepsilon}$-caprolactam을 바탕으로 새롭게 그룹 기여값을 얻고, 이를 NVCL, NMCL에 적용하였다. 또한 새롭게 수정된 순수 물성을 바탕으로 $CO_2$ + N-vinyl caprolactam과 N-methyl caprolactam 계에 대해 Peng-Robinson EOS와 van der Waals 1-fluid mixing rule을 이용하여 계산하고 실험값과 비교하였다.