• Journal of the Korean Chemical Society
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• v.58 no.6
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• pp.528-534
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• 2014

In some binary solution, closed miscibility loop of temperature-composition phase diagram occurs where both an upper critical solution temperature and a lower critical solution temperature exist. It is known that this phenomena occurs if specific interaction between molecules exists. There are several ways describing the specific interaction. In this work it is assumed that the total number of specific interactions is distributed according to binomial distribution. In this case, exact mathematical conditions for closed miscibility loop phase behavior are derived when the specific interaction is applied to regular solution theory, quasichemical theory and Flory-Huggins lattice theory. And we investigated the effect of parameters on the phase diagram. The phase diagram of water-nicotine is calculated and compared with experimental data.

• Bulletin of the Korean Chemical Society
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• v.30 no.9
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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.

• Journal of the Korean Ceramic Society
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• v.23 no.3
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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.

• Journal of the Korean Chemical Society
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• v.31 no.6
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• pp.481-485
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• 1987

Various partial miscibilities of binary liquid mixtures predicted by the extended Flory-Huggins lattice theory are shown in this article, and the mathematical conditions for each partial miscibility are obtained. And in terms of the theory it is shown that the unusual partial miscibility of water-2-butanol system can occur.

• Bulletin of the Korean Chemical Society
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• v.6 no.3
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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.

• Membrane Journal
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• v.6 no.1
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• pp.22-31
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• 1996

Pervaporation experiments of isopropanol-water mixtures through a polydimethytsiloxane(PDMS) membrane were carried out at 35$^{\circ}$C and the effect of isopropanol concentration on the separation characteristics was investigated. The total permeation rate showed the largest deviation from the ideal permeation rate at the isoprpanol volume fraction from 0.5 to 0.7, which resulted from the interaction effect between permeants. The plasticizing effect of isopropanol enhanced the permeation of water, while the existance of water resulted in the depression of isopropanol permeation. Both the permeation rate and the selectivity were predicted using Flory-Huggins thermodynamics and modified Maxwell-Stefan equation. The concentration-dependent diffusion coefficients were expressed by Vignes equation. The Flory-Huggins interaction parameter between isopropanol and water was calculated using excess Gibbs energy correlation and the interaction parameters between liquid and polymer membrane were determined by equilibrium swelling experiments. The predicted permeation rates were in accord with the experimental ones within maximum error range of 35 %. The predicted permeation selectivities were in good agreement with the experimental values.

• Korea-Australia Rheology Journal
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• v.16 no.3
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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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• v.34 no.3
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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.

• Applied Chemistry for Engineering
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• v.10 no.5
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• pp.718-725
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• 1999

In order to investigate the interaction characteristics of poly(dimethylsiloxane) (PDMS) with various solvents such as water, ethanol, and iso-propanol, Inverse Gas Chromatography(IGC) at finite concentration, which is a very fast, accurate, and thus promising technique in thermodynamic study of polymer systems, is employed. By measuring the specific retention volumes of the probes, the interaction parameters are calculated by means of the Flory-Huggins equation. From the results, the interaction parameters of the probes are, as expected due to the hydrophobicity of the polymer, found to be of large positive values (2$2.0{\times}10^{-3}mol/g$. For the linear PDMS, interpretation of the space distribution of molecules is performed by the Kirkwood-Buff-Zimm(KBZ) integrals, which give intuitive information about physical properties. From the KBZ integrals, water does not show the tendency of preferential solvation with the PDMS but formed self-cluster. The larger solvent molecules show a stronger tendency to distribute more randomly in the mixture.

• Journal of Industrial Technology
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• v.18
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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.