• Macromolecular Research
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• v.16 no.4
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• pp.320-328
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• 2008

We established a thermodynamic framework of group contribution method based on modified double lattice (MDL) model. The proposed model included the long-range interaction contribution caused by the Coulomb electrostatic forces, the middle-range interaction contribution from the indirect effects of the charge interactions and the short-range interaction from modified double lattice model. The group contribution method explained the combinatorial energy contribution responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, the polar force, and the specific energy contribution from hydrogen bonding. We showed the solvent activities of various polymer solution systems in comparison with theoretical predictions based on experimental data. The proposed model gave a very good agreement with the experimental data.

• Proceedings of the Membrane Society of Korea Conference
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• 1998.04a
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• pp.22-24
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• 1998

1. INTRODUCTION : The phase inversion method is widely used to prepare a variety of polymeric membranes ranging from micro-filtration to gas separation. The final morphology obtained by immersion precipitation strongly reflects the thermodynamics and kinetics of the system involved. The equilibrium thermodynamics of the ternary system of polymer/solvent/ nonsolvent is still very important to understand and predict membrane structure. Polysulfone (PSf) and polyethersulfone (PES) are important polymers as membrane materials due to the chemical resistance, mechanical strength, thermal stability and transport properies. There are several reports on the experimental phase diagrams in ternary mixtures of PSf/solvent/nonsolvent, and PES/solvent/nonsolvent. It would be interesting to investigate the solution thermodynamics containing these two polymers since PES is slightly less hyclrophobic than PSf.

• Macromolecular Research
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• v.17 no.10
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• pp.763-769
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• 2009

A chromatographic method is used to measure interactions between dissimilar proteins in aqueous electrolyte solutions as a function of ionic strength, salt type, and pH. One protein is immobilized on the surface of the stationary phase, and the other is dissolved in electrolyte solution conditions flowing over that surface. The relative retention of proteins reflects the mean interactions between immobile and mobile proteins. The osmotic cross second virial coefficient calculated by assuming a proposed potential function shows that the interactions of unfavorable proteins depend on solution conditions, and the proposed model shows good agreement with the experimental data of the given systems.

• Korean Membrane Journal
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• v.5 no.1
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• pp.61-67
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• 2003

Various characteristics of ion transport properties of a charged mosaic membrane with a parallel array of positive and negative functional charges were investigated, From the analysis of the volume flux, it was found that the salt flux based on nonequilibrium thermodynamics, preferential salt transport across the charged mosaic membrane. Transport properties of the magnesium sulfate(MgSO$_4$) and sucrose across the charged mosaic membrane were estimated. As a result, metal salts transport depended largely on the charged states and molecular weight otherwise nonelectrolyte solution was rejected under all experimental conditions. On the other hand, the reflection coefficient s indicated the negative value that suggested preferential material transport and was independent of charged mosaic thickness.

• Macromolecular Research
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• v.11 no.1
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• pp.53-61
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• 2003

A molecular-thermodynamic model is developed for the salt-induced protein precipitation. The protein molecules interact through four intermolecular potentials. An equation of state is derived based on the statistical mechanical perturbation theory with the modified Chiew's equation for the fluid phase, Young's equation for the solid phase as the reference system and a perturbation based on the protein-protein effective two body potential. The equation of state provides an expression for the chemical potential of the protein. In a single protein system, the phase separation is represented by fluid-fluid equilibria. The precipitation behaviors are simulated with the partition coefficient at various salt concentrations and degree of pre-aggregation effect for the protein particles. In a binary protein system, we regard the system as a fluid-solid phase equilibrium. At equilibrium, we compute the reduced osmotic pressure-composition diagram in the diverse protein size difference and salt concentrations.

• Macromolecular Research
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• v.16 no.5
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• pp.446-456
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• 2008

A recent theoretical approach based on the coupling of both the Flory-Huggins (FH) and the Association Equilibria thermodynamic (AET) theories was modified and adapted to study the miscibility properties of a multi-component system formed by two polymers (a proton-donor and a proton-acceptor) and a proton-acceptor solvent, named copolymer(A)/solvent(B)/polymer(C). Compatibility between polymers was mainly attained by hydrogen-bonding between the hydroxyl group on the phenol unit of the poly(styrene-co-vinyl phenol) (PSVPh) and the carbonyl group of the biodegradable and environmentally friendly poly(3-hydroxybutyrate) (PHB). However, the self-association of PSVPh and specific interactions between the PSVPh and the H-acceptor group (an ether oxygen atom) of the epichlorohydrin (ECH) solvent were also established in a lower extension, which competed with the polymer-polymer association. All the binary specific interactions and their dependence with the system composition as well as with the copolymer content were evaluated and quantified by means of two excess functions of the Gibbs tree energy, ${\Delta}g_{AB}$ and ${\Delta}g_{AC}$. Experimental results from fluorescence spectroscopy were consistent with the theoretical simulations derived with the model, which could also be applied and extended to predict the miscibility in solution of any polymer blend with specific interactions.

• Polymer(Korea)
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• v.38 no.5
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• pp.557-565
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• 2014

Sodium alginate and chitosan are added to a $CaCl_2$ solution to prepare calcium-alginate-chitosan and calciumalginate gels. After dehydration through stoving, two types of adsorbent particles are obtained. The adsorption process of the particles obtained for low concentrations of $Sr^{2+}$ satisfies a second-order kinetic equation and the Freundlich adsorption model. The thermodynamic behaviors of the particles indicate that adsorption occurs via a spontaneous physical process. XPS pattern analysis is used to demonstrate the adsorption of $Sr^{2+}$ by calcium alginate and chitosan. By building an interaction model of the molecules of chitosan and alginate with $Ca^{2+}$ and $Sr^{2+}$ to calculate energy parameters, Fukui index, Mulliken charge, and Mulliken population, adsorption of $Sr^{2+}$ on the molecular chains of chitosan as well as the boundary of calcium-alginate-chitosan is observed to show weak stability; by contrast, adsorption between molecular chains is high.

• Applied Chemistry for Engineering
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• v.7 no.3
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• pp.443-452
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• 1996

Fouling is caused by sedimentation and corrosion of polymer, heavy paraffine, chemicals, heavy organics, asphaltene, etc. in the entire chemical process of heat exchanger, boiler, desalter, etc. Fouling phenomena remains a serious operating problem which results in increased energy consumption, increased pressure drops, reduction or complete loss of products yield, and increased maintenance costs. In order to calculate the separated amounts of foulants and to control the fouling process, the predictive model is developed which is based on Scott & Magat polymer solution theory, Peng-Robinson EOS, BWR EOS, and continuous and multicomponent thermodynamics.

• 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.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.9 no.6
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• pp.1775-1781
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• 2008

The effects of the type of curing agent on the swelling of the natural rubber(NR) sponge applicable to the self-sealing layer of a helicopter fuel tank were investigated. The curing systems employed were peroxide and mixed ones of sulfur and peroxide. The NR compounds were prepared in a kneader and a roll-mill. The compounds were partially cured in a press at high pressure and subsequently cured fully with expansion in another press at atmospheric pressure. The apparent density of the NR sponge was measured and the cell structure was observed with scanning electron microscopy. The swelling experiments were performed at room temperature using toluene, iso-octane, and an aircraft fuel as a solvent. More rapid volume swelling of the NR sponge cured by peroxide was achieved than cured by sulfur and peroxide with similar amount of curing agent added in rubber compounds. The apparent density and cell structure of the sponge were extremely sensitive to the amount of peroxide, which influences again the swelling behavior of the NR sponge. It is important to control properly two reactions of decomposition of foaming agent and crosslinking of NR in the mold to obtain rapid swelling of the NR sponge on contact of the fuel.