• Macromolecular Research
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• 제16권4호
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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.

• 한국막학회:학술대회논문집
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• 한국막학회 1998년도 춘계 총회 및 학술발표회
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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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• 제17권10호
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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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• 제5권1호
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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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• 제11권1호
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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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• 제16권5호
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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.

• 폴리머
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• 제38권5호
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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.

• 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.

• 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.

• 한국산학기술학회논문지
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• 제9권6호
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• pp.1775-1781
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• 2008

가교제의 종류가 헬리콥터 연료탱크의 자기밀폐층 소재로 적용시키기 위한 천연고무 스폰지의 팽윤에 미치는 효과를 조사하였다. 과산화물과 황을 섞은 가교방식과 과산화물에 의한 가교방식을 채택하였다. 천연고무 콤파운드를 Kneader와 Roll-Mill을 활용하여 제조하고, 고압조건의 프레스에서 부분 가교시킨 후 대기압의 금형에서 발포와 완전가교를 실시하였다. 얻어진 스폰지의 겉보기밀도를 측정하고 스폰지의 셀구조를 주사전자현미경을 통하여 관찰하였다. 톨루엔, 이소옥탄과 항공유를 사용하여 실온에서 팽윤실험을 실시하였다. 용매에 2분 동안 침적 후 얻어지는 부피팽윤비 값은 과산화물 가교에 의한 천연고무 스폰지가 비슷한 양의 황과 과산화물의 혼합가교에 의한 경우보다 높았다. 스폰지의 겉보기밀도와 셀구조는 과산화물 함량에 매우 민감하였으며 이는 또한 천연고무 스폰지의 팽윤거동에 영향을 미쳤다. 천연고무 스폰지가 연료와 접촉하여 신속한 팽윤이 얻어지기 위하여 금형에서 동시에 발생하는 두 가지 반응인 발포제의 분해반응과 천연고무의 가교반응을 적절히 조절하는 것이 중요하다.