• 대한화학회지
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• 제58권6호
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• pp.528-534
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• 2014

어떤 이성분계용액에서는 상한임계용액온도와 하한임계용액온도가 동시에 나타나는 원형모양의 온도-조성 상도를 보인다. 이러한 현상은 분자간 특정상호작용이 존재하는 경우 나타나는 것으로 알려져 있다. 특정상호작용을 묘사하는 방법에는 여러 가지가 있다. 본 연구에서는 특정상호작용의 총수가 이항분포에 따라 분포한다고 가정하였다. 이 경우 특정상호작용을 Regular 용액이론, Quasichemical 이론 그리고 Flory-Huggins 격자이론에 적용하였을 때 원형모양의 온도-조성 상도를 보이는 경우에 대한 정확한 수학적인 조건을 유도하였다. 그리고 매개변수들이 온도-조성상도에 미치는 영향을 조사하였고, 물-니코틴에 대한 온도-조성상도를 계산하여 실험값과 비교하여 보았다.

• Bulletin of the Korean Chemical Society
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• 제30권9호
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• pp.2001-2006
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• 2009

Temperature dependence of the critical micelle concentration (CMC), $x_{CMC}$, in micellization can be described by ln $x_{CMC}$ = A + BT + C lnT + D/T, which has been derived statistical-mechanically. Here A, B, C, and D are fitting parameters. The equation fits the CMC data better than conventionally used polynomial equations of temperature. Moreover, it yields the unique(exponent) value of 2 when the CMC is expressed in a power-law form. This finding is quite significant, because it may point to the universality of the thermal behavior of CMC. Hence, in this article, the nature of the equation ln $x_{CMC}$ = A + BT + C lnT + D/T is examined from a lattice-theory point of view through the Flory-Huggins model. It is found that a linear behavior of heat capacity change of micellization is responsible for the CMC equation of temperature.

• 한국세라믹학회지
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• 제23권3호
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• pp.35-43
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• 1986

The equilibrium dsorption of starch on activated alumina and kaolin was studied to provide the fundamental data for investigating the effect of polymer adsorption on the flocculation of solid particles. The new polymer adsor-ption model(PAH-FH) predicting the adsorption equilibria of polymers on the solid surface has been developed using the solution theory and the concepts of Gibbs dividing surface in conjunction with the Flory-Huggins eq-uation and the adsorption behaviors of polymers were examined by this model The accurate adsorption equilibrium data of starch on alumina and kaolin were determined within the tempera-ture range of 298-318K by the ignition loss method. Using these experimenta data the model developed in this study was evaluated. It was shown that this model could predict the adsorption isotherm more accura-tely than the Langmuir model as well as could describe the characteristics of the adsorption equilibria through model parameters.

• 대한화학회지
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• 제31권6호
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• pp.481-485
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• 1987

확장된 Flory-Huggins의 격자이론에 의해 예측될 수 있는 액체 이성분계의 여러 부분혼화도를 제시하였으며, 각 경우에 있어서의 수학적 조건를 구하였다. 그리고, 그 이론을 사용하여 물-2-부탄올계에서 나타나는 비정상적인 부분혼화도가 존재할 수 있음을 보였다.

• Bulletin of the Korean Chemical Society
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• 제6권3호
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• pp.132-135
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• 1985

Four types of the phase diagrams indicating the partial miscibilities in polymer-polymer or polymer-solvent systems have been explained in terms of the extended Flory-Huggins lattice theory. In this article, the term $kT_{\chi}$ in the theory is expressed as a function of temperature. Using such $a_{\chi}$-parameter, the simplest forms of geometrical conditions are derived for each type of the four partial miscibilities in polymer systems. The calculated partial miscibilities are in good agreement with the experiment.

• 멤브레인
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• 제6권1호
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• pp.22-31
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• 1996

35$^{\circ}$C에서 polydimethytsiloxane(PDMS)막에 의한 이소프로판올수용액의 투과증발실험을 행하여 이소프로판올의 부피분율이 0.5~0.7범위에서 이상적인 투과속도로부터 가장 크게 벗어났다. 이소프로판올의 가소화 영향은 물의 투과를 증가시키는 데 비하여 물의 존재는 이소프로판올의 투과를 감소시키는 경향을 나타내었다. 혼합물에서 농도에 의존하는 확산계수를 Vignes식으로 나타내고, Flory-Huggins열역학과 Maxwell-Stefan식을 이용하여 투과속도와 선택도를 예측하였다. 이소프로판올과 물 사이의 Flory-Huggins상호작용계수는 과잉Gibbs에너지를 이용하여 계산하였으며 각 액체 성분과 고분자 사이의 상호작용계수는 평행팽윤 실험에 의하여 결정하였다. 이론적으로 예측한 투과속도는 35%이내의 오차범위에서 실험값과 일치하였으며, 투과선택도는 전 농도 범위에서 실험값과 이론값이 잘 일치하였다.

• Korea-Australia Rheology Journal
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• 제16권3호
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• pp.135-140
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• 2004

Morphological and rheological properties of the poly(methyl methacrylate) (PMMA) and polystyrene (PS) blends were studied by scanning electron microscopy (SEM) and advanced rheometric expansion system (ARES). From the SEM results, the PMMA-PS blends showed dispersed morphology and the particle size of the dispersed phase was quite small (0.1~0.6 $\mu\textrm{m}$ compared with other immiscible polymer blends. Values of the interfacial tension of the PMMA-PS blend were obtained from the Choi-Schowalter and the Palierne emulsion models using the storage modulus of the PMMA and PS, and found to be 1.0 and 2.0 mN/m, respectively. The interfacial tension between the PMMA and PS was also calculated from the Flory-Huggins polymer-polymer interaction parameter ($\chi$) and found to be from 0.98 to 1.86 mN/m depending on the molecular weight and composition. Comparing the values of the interfacial tension from the Flory-Huggins polymer-polymer interaction parameter and the values measured by oscillatory rheometer, it is suggested that the interfacial tension of the PMMA-PS blend obtained from the polymer-polymer interaction parameter are in good agreement with the values obtained by rheological measurements.

• Bulletin of the Korean Chemical Society
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• 제34권3호
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• pp.753-758
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• 2013

Molecular dynamics (MD) simulations have been used to study the diffusion behavior of small gas molecules ($CO_2$) in polyethylene terephthalate (PET)/polylactide (PLA) blends. The Flory-Huggins interaction parameters (${\chi}$) determined from the cohesive energy densities are smaller than the critical value of Flory-Huggins interaction parameters (${\chi}_{critical}$), and that indicates the good compatibility of PET/PLA blends. The diffusion coefficients of $CO_2$ are determined via MD simulations at 298 K. That the order of diffusion coefficients is correlated with the availably fractional free volume (FFV) of $CO_2$ in the PET/PLA blends means that the FFV plays a vital role in the diffusion behavior of $CO_2$ molecules in PET/PLA blends. The slopes of the log (MSD) as a function of log (t) are close to unity over the entire composition range of PET/PLA blends, which confirmes the feasibility of MD approach reaches the normal diffusion regime of $CO_2$ in PET/PLA blends.

• 공업화학
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• 제10권5호
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• pp.718-725
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• 1999

Inverse gas chromatography(IGC) 방법은 고분자-용매 계의 열역학적 특성을 신속하고 정확하게 결정할 수 있는 신뢰할 만한 방법 중 하나이다. 본 연구에서는 유한 농도에서의 IGC 방법을 사용하여 poly(dimethylsiloxane)(PDMS)과 물, 에탄올, 그리고 이소프로판올과의 상호작용을 정량적으로 결정하였다. 이를 위하여 고정상 내 용매의 체류시간으로부터 Flory-Huggins의 상호작용 계수를 산출하여 PDMS와 용매간의 소수성 상호작용을 의미하는 큰 양의 값(2$2.0{\times}10^{-3}mol/g$이었다. 또한 선형고분자에 대한 Kirkwood-Buff-Zimm(KBZ) 적분을 행하여 고분자와 용매의 분자분포 구조를 추정하였다. 이로부터 물분자는 PDMS에 대하여 용매화되지 않고 자체 분자끼리 부분적인 클러스트를 형성하며, 에탄올과 이소프로판올에서는 탄소수가 증가함에 따라 균일한 혼합에 가까운 분자분포의 구조적 성질을 추정할 수 있었다.

• 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.